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RECEPTOR
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STRUCTURE
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SIGNAL PROTEIN
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AUXILIARY PROTEIN
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STRUCTURE LIGAND
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ENDOGENOUS LIGAND
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SODIUM ION SITE
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REFERENCE
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ANNOTATED
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UniProt
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IUPHAR | Receptor family | Cl. | Species | Method |
PDB
|
Refined structure |
Resolution | Preferred chain |
State |
Degree active (%) |
% of Seq | Family | Subtype | Note | % of Seq | Fusion | Antibodies | Name | Type | Function | Name | Type | D2x50 S3x39 |
Sodium in structure |
Authors | Reference | PDB Date | ||
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 1F88 | 1F88_refined | 2.8 | A | Inactive | 22 | 97 | - | - | - | - | - | - |
Retinal (11-cis)
|
small-molecule | Inverse agonist | - | - | No | No | Palczewski K, Kumasaka T, Hori T, Behnke CA, Motoshima H, Fox BA, Le Trong I, Teller DC, Okada T, Stenkamp RE, Yamamoto M, Miyano M | 10.1126/SCIENCE.289.5480.739 | 2000-08-04 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 1HZX | - | 2.8 | A | Inactive | 22 | 98 | - | - | - | - | - | - |
Retinal (11-cis)
|
small-molecule | Inverse agonist | - | - | No | No | Teller DC, Okada T, Behnke CA, Palczewski K, Stenkamp RE | 10.1021/BI0155091 | 2001-07-04 | No | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 1L9H | - | 2.6 | A | Inactive | 22 | 98 | - | - | - | - | - | - |
Retinal (11-cis)
|
small-molecule | Inverse agonist | - | - | No | No | Okada T, Fujiyoshi Y, Silow M, Navarro J, Landau EM, Shichida Y | 10.1073/PNAS.082666399 | 2002-05-15 | No | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 1GZM | 1GZM_refined | 2.7 | A | Inactive | 22 | 94 | - | - | - | - | - | - |
Retinal (11-cis)
|
small-molecule | Inverse agonist | - | - | No | No | Li J, Edwards PC, Burghammer M, Villa C, Schertler GF | 10.1016/J.JMB.2004.08.090 | 2003-11-20 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 1U19 | 1U19_refined | 2.2 | A | Inactive | 22 | 100 | - | - | - | - | - | - |
Retinal (11-cis)
|
small-molecule | Inverse agonist | - | - | No | No | Okada T, Sugihara M, Bondar AN, Elstner M, Entel P, Buss V | 10.1016/J.JMB.2004.07.044 | 2004-10-12 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 2HPY | - | 2.8 | B | Inactive | 22 | 100 | - | - | - | - | - | - |
Retinal (all-trans)
|
small-molecule | Agonist | - | - | No | No | Nakamichi H, Okada T | 10.1073/PNAS.0601765103 | 2006-08-22 | No | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 2G87 | - | 2.6 | A | Inactive | 22 | 100 | - | - | - | - | - | - |
Retinal (all-trans)
|
small-molecule | Agonist | - | - | No | No | Nakamichi H, Okada T | 10.1002/ANIE.200600595 | 2006-09-02 | No | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 2I35 | - | 3.8 | A | Inactive | 22 | 94 | - | - | - | - | - | - |
Retinal (11-cis)
|
small-molecule | Inverse agonist | - | - | No | No | Salom D, Lodowski DT, Stenkamp RE, Le Trong I, Golczak M, Jastrzebska B, Harris T, Ballesteros JA, Palczewski K | 10.1073/PNAS.0608022103 | 2006-10-17 | No | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 2I36 | - | 4.1 | A | Inactive | 22 | 94 | - | - | - | - | - | - |
Apo (no ligand)
|
none | Apo (no ligand) | - | - | No | No | Salom D, Lodowski DT, Stenkamp RE, Le Trong I, Golczak M, Jastrzebska B, Harris T, Ballesteros JA, Palczewski K | 10.1073/PNAS.0608022103 | 2006-10-17 | No | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 2I37 | - | 4.2 | A | Inactive | 22 | 91 | - | - | - | - | - | - |
Apo (no ligand)
|
none | Apo (no ligand) | - | - | No | No | Salom D, Lodowski DT, Stenkamp RE, Le Trong I, Golczak M, Jastrzebska B, Harris T, Ballesteros JA, Palczewski K | 10.1073/PNAS.0608022103 | 2006-10-17 | No | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 2J4Y | - | 3.4 | B | Inactive | 22 | 94 | - | - | - | - | - | - |
Retinal (11-cis)
|
small-molecule | Inverse agonist | - | - | No | No | Standfuss J, Xie G, Edwards PC, Burghammer M, Oprian DD, Schertler GF | 10.1016/J.JMB.2007.03.007 | 2007-09-25 | No | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 2PED | - | 3.0 | B | Inactive | 22 | 100 | - | - | - | - | - | - |
Retinal (9-cis)
|
small-molecule | Inverse agonist | - | - | No | No | Nakamichi H, Buss V, Okada T | 10.1529/BIOPHYSJ.107.108225 | 2007-10-30 | No | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 2RH1 | - | 2.4 | A | Inactive | 0 | 68 | - | - | - | - | T4-Lysozyme | - |
Carazolol
|
small-molecule | Inverse agonist | (-)-noradrenaline, L-NOREPINEPHRINE, noradrenaline, Zn2+, (-)-adrenaline | small-molecule | Yes | No | Cherezov V, Rosenbaum DM, Hanson MA, Rasmussen SG, Thian FS, Kobilka TS, Choi HJ, Kuhn P, Weis WI, Kobilka BK, Stevens RC | 10.1126/SCIENCE.1150577 | 2007-10-30 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 2R4R | - | 3.4 | A | Inactive | 1 | 52 | - | - | - | - | - | Antibody | - | - | - | (-)-noradrenaline, L-NOREPINEPHRINE, noradrenaline, Zn2+, (-)-adrenaline | small-molecule | Yes | No | Rasmussen SG, Choi HJ, Rosenbaum DM, Kobilka TS, Thian FS, Edwards PC, Burghammer M, Ratnala VR, Sanishvili R, Fischetti RF, Schertler GF, Weis WI, Kobilka BK | 10.1038/NATURE06325 | 2007-11-06 | No | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 2R4S | - | 3.4 | A | Inactive | 1 | 52 | - | - | - | - | - | Antibody | - | - | - | (-)-noradrenaline, L-NOREPINEPHRINE, noradrenaline, Zn2+, (-)-adrenaline | small-molecule | Yes | No | Rasmussen SG, Choi HJ, Rosenbaum DM, Kobilka TS, Thian FS, Edwards PC, Burghammer M, Ratnala VR, Sanishvili R, Fischetti RF, Schertler GF, Weis WI, Kobilka BK | 10.1038/NATURE06325 | 2007-11-06 | No | |
OPSD | Rhodopsin | Opsins | A | Japanese flying squid | X-ray | 2ZIY | - | 3.7 | A | Inactive | 13 | 83 | - | - | - | - | - | - |
Retinal (11-cis)
|
small-molecule | Inverse agonist | - | - | Yes | No | Shimamura T, Hiraki K, Takahashi N, Hori T, Ago H, Masuda K, Takio K, Ishiguro M, Miyano M | 10.1074/JBC.C800040200 | 2008-05-06 | No | |
OPSD | Rhodopsin | Opsins | A | Japanese flying squid | X-ray | 2Z73 | 2Z73_refined | 2.5 | A | Inactive | 13 | 78 | - | - | - | - | - | - |
Retinal (11-cis)
|
small-molecule | Inverse agonist | - | - | Yes | No | Murakami M, Kouyama T | 10.1038/NATURE06925 | 2008-05-13 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 3D4S | 3D4S_refined | 2.8 | A | Inactive | 0 | 67 | - | - | - | - | T4-Lysozyme | - |
timolol
|
small-molecule | Inverse agonist | (-)-noradrenaline, L-NOREPINEPHRINE, noradrenaline, Zn2+, (-)-adrenaline | small-molecule | Yes | No | Hanson MA, Cherezov V, Griffith MT, Roth CB, Jaakola VP, Chien EY, Velasquez J, Kuhn P, Stevens RC | 10.1016/J.STR.2008.05.001 | 2008-06-17 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 3CAP | - | 2.9 | A | Active | 99 | 94 | - | - | - | - | - | - |
Apo (no ligand)
|
none | Apo (no ligand) | - | - | No | No | Park JH, Scheerer P, Hofmann KP, Choe HW, Ernst OP | 10.1038/NATURE07063 | 2008-06-24 | No | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 2VT4 | - | 2.7 | B | Inactive | 0 | 57 | - | - | - | - | - | - |
(S)-Cyanopindolol
|
small-molecule | Antagonist | - | - | Yes | No | Warne T, Serrano-Vega MJ, Baker JG, Moukhametzianov R, Edwards PC, Henderson R, Leslie AG, Tate CG, Schertler GF | 10.1038/NATURE07101 | 2008-06-24 | No | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 3C9L | 3C9L_refined | 2.7 | A | Inactive | 22 | 94 | - | - | - | - | - | - |
Retinal (11-cis)
|
small-molecule | Inverse agonist | - | - | No | No | Stenkamp RE | 10.1107/S0907444908017162 | 2008-08-05 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 3C9M | - | 3.4 | A | Inactive | 22 | 94 | - | - | - | - | - | - |
Retinal (11-cis)
|
small-molecule | Inverse agonist | - | - | No | No | Stenkamp RE | 10.1107/S0907444908017162 | 2008-08-05 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 3DQB | 3DQB_refined | 3.2 | A | Active | 100 | 94 | Gi/o | αt1 | Only H5 | 3 | - | - |
Apo (no ligand)
|
none | Apo (no ligand) | - | - | No | No | Scheerer P, Park JH, Hildebrand PW, Kim YJ, Krauss N, Choe HW, Hofmann KP, Ernst OP | 10.1038/NATURE07330 | 2008-09-23 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 3EML | - | 2.6 | A | Inactive | 1 | 70 | - | - | - | - | T4-Lysozyme | - |
ZM-241385
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Jaakola VP, Griffith MT, Hanson MA, Cherezov V, Chien EY, Lane JR, Ijzerman AP, Stevens RC | 10.1126/SCIENCE.1164772 | 2008-10-14 | No | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 3KJ6 | - | 3.4 | A | Inactive | 1 | 54 | - | - | - | - | - | Antibody | - | - | - | (-)-noradrenaline, L-NOREPINEPHRINE, noradrenaline, Zn2+, (-)-adrenaline | small-molecule | Yes | No | Bokoch MP, Zou Y, Rasmussen SG, Liu CW, Nygaard R, Rosenbaum DM, Fung JJ, Choi HJ, Thian FS, Kobilka TS, Puglisi JD, Weis WI, Pardo L, Prosser RS, Mueller L, Kobilka BK | 10.1038/NATURE08650 | 2010-02-16 | No | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 3NY8 | 3NY8_refined | 2.8 | A | Inactive | 0 | 67 | - | - | - | - | T4-Lysozyme | - |
CHEMBL1233766
|
small-molecule | Inverse agonist | (-)-noradrenaline, L-NOREPINEPHRINE, noradrenaline, Zn2+, (-)-adrenaline | small-molecule | Yes | No | Wacker D, Fenalti G, Brown MA, Katritch V, Abagyan R, Cherezov V, Stevens RC | 10.1021/JA105108Q | 2010-08-11 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 3NY9 | 3NY9_refined | 2.8 | A | Inactive | 0 | 67 | - | - | - | - | T4-Lysozyme | - |
CHEMBL1233771
|
small-molecule | Inverse agonist | (-)-noradrenaline, L-NOREPINEPHRINE, noradrenaline, Zn2+, (-)-adrenaline | small-molecule | Yes | No | Wacker D, Fenalti G, Brown MA, Katritch V, Abagyan R, Cherezov V, Stevens RC | 10.1021/JA105108Q | 2010-08-11 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 3NYA | 3NYA_refined | 3.2 | A | Inactive | 0 | 67 | - | - | - | - | T4-Lysozyme | - |
CHEMBL1160734
|
small-molecule | Antagonist | (-)-noradrenaline, L-NOREPINEPHRINE, noradrenaline, Zn2+, (-)-adrenaline | small-molecule | Yes | No | Wacker D, Fenalti G, Brown MA, Katritch V, Abagyan R, Cherezov V, Stevens RC | 10.1021/JA105108Q | 2010-08-11 | Yes | |
CXCR4 | CXCR4 | Chemokine | A | Human | X-ray | 3ODU | 3ODU_refined | 2.5 | A | Inactive | 5 | 83 | - | - | - | - | T4-Lysozyme | - |
isothiourea-1t
|
small-molecule | Antagonist | CXCL12δ, CXCL12φ, CXCL12ε, CXCL12β, CXCL12γ, CXCL12, CXCL12α | peptide | Yes | No | Wu B, Chien EY, Mol CD, Fenalti G, Liu W, Katritch V, Abagyan R, Brooun A, Wells P, Bi FC, Hamel DJ, Kuhn P, Handel TM, Cherezov V, Stevens RC | 10.1126/SCIENCE.1194396 | 2010-10-27 | Yes | |
CXCR4 | CXCR4 | Chemokine | A | Human | X-ray | 3OE0 | - | 2.9 | A | Inactive | 5 | 78 | - | - | - | - | T4-Lysozyme | - |
CVX15
|
peptide | Antagonist | CXCL12δ, CXCL12φ, CXCL12ε, CXCL12β, CXCL12γ, CXCL12, CXCL12α | peptide | Yes | No | Wu B, Chien EY, Mol CD, Fenalti G, Liu W, Katritch V, Abagyan R, Brooun A, Wells P, Bi FC, Hamel DJ, Kuhn P, Handel TM, Cherezov V, Stevens RC | 10.1126/SCIENCE.1194396 | 2010-10-27 | Yes | |
CXCR4 | CXCR4 | Chemokine | A | Human | X-ray | 3OE6 | - | 3.2 | A | Inactive | 5 | 77 | - | - | - | - | T4-Lysozyme | - |
isothiourea-1t
|
small-molecule | Antagonist | CXCL12δ, CXCL12φ, CXCL12ε, CXCL12β, CXCL12γ, CXCL12, CXCL12α | peptide | Yes | No | Wu B, Chien EY, Mol CD, Fenalti G, Liu W, Katritch V, Abagyan R, Brooun A, Wells P, Bi FC, Hamel DJ, Kuhn P, Handel TM, Cherezov V, Stevens RC | 10.1126/SCIENCE.1194396 | 2010-10-27 | No | |
CXCR4 | CXCR4 | Chemokine | A | Human | X-ray | 3OE8 | - | 3.1 | A | Inactive | 5 | 76 | - | - | - | - | T4-Lysozyme | - |
isothiourea-1t
|
small-molecule | Antagonist | CXCL12δ, CXCL12φ, CXCL12ε, CXCL12β, CXCL12γ, CXCL12, CXCL12α | peptide | Yes | No | Wu B, Chien EY, Mol CD, Fenalti G, Liu W, Katritch V, Abagyan R, Brooun A, Wells P, Bi FC, Hamel DJ, Kuhn P, Handel TM, Cherezov V, Stevens RC | 10.1126/SCIENCE.1194396 | 2010-10-27 | No | |
CXCR4 | CXCR4 | Chemokine | A | Human | X-ray | 3OE9 | - | 3.1 | A | Inactive | 5 | 74 | - | - | - | - | T4-Lysozyme | - |
isothiourea-1t
|
small-molecule | Antagonist | CXCL12δ, CXCL12φ, CXCL12ε, CXCL12β, CXCL12γ, CXCL12, CXCL12α | peptide | Yes | No | Wu B, Chien EY, Mol CD, Fenalti G, Liu W, Katritch V, Abagyan R, Brooun A, Wells P, Bi FC, Hamel DJ, Kuhn P, Handel TM, Cherezov V, Stevens RC | 10.1126/SCIENCE.1194396 | 2010-10-27 | No | |
DRD3 | D3 | Dopamine | A | Human | X-ray | 3PBL | 3PBL_refined | 2.9 | A | Inactive | 1 | 68 | - | - | - | - | T4-Lysozyme | - |
eticlopride
|
small-molecule | Antagonist | dopamine | small-molecule | Yes | No | Chien EY, Liu W, Zhao Q, Katritch V, Han GW, Hanson MA, Shi L, Newman AH, Javitch JA, Cherezov V, Stevens RC | 10.1126/SCIENCE.1197410 | 2010-11-03 | Yes | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 2Y00 | 2Y00_refined | 2.5 | B | Inactive | 0 | 62 | - | - | - | - | - | - |
Dobutamine
|
small-molecule | Agonist (partial) | - | - | Yes | No | Warne T, Moukhametzianov R, Baker JG, Nehme R, Edwards PC, Leslie AG, Schertler GF, Tate CG | 10.1038/NATURE09746 | 2011-01-12 | Yes | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 2Y03 | 2Y03_refined | 2.9 | B | Inactive | 0 | 62 | - | - | - | - | - | - |
LEVISOPRENALINE
|
small-molecule | Agonist | - | - | Yes | No | Warne T, Moukhametzianov R, Baker JG, Nehme R, Edwards PC, Leslie AG, Schertler GF, Tate CG | 10.1038/NATURE09746 | 2011-01-12 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 3PQR | - | 2.9 | A | Active | 100 | 94 | Gi/o | αt1 | Only H5 | 3 | - | - |
Retinal (all-trans)
|
small-molecule | Agonist | - | - | No | No | Choe HW, Kim YJ, Park JH, Morizumi T, Pai EF, Krauss N, Hofmann KP, Scheerer P, Ernst OP | 10.1038/NATURE09789 | 2011-03-09 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 2X72 | 2X72_refined | 3.0 | A | Active | 100 | 94 | Gi/o | αt1 | Only H5 | 3 | - | - |
Retinal (all-trans)
|
small-molecule | Agonist | - | - | No | No | Standfuss J, Edwards PC, D'Antona A, Fransen M, Xie G, Oprian DD, Schertler GF | 10.1038/NATURE09795 | 2011-03-16 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 2YDV | 2YDV_refined | 2.6 | A | Active | 73 | 75 | - | - | - | - | - | - |
NECA
|
small-molecule | Agonist | adenosine | small-molecule | Yes | No | Lebon G, Warne T, Edwards PC, Bennett K, Langmead CJ, Leslie AG, Tate CG | 10.1038/NATURE10136 | 2011-05-18 | Yes | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 2YCY | - | 3.2 | A | Inactive | 0 | 60 | - | - | - | - | - | - |
(S)-Cyanopindolol
|
small-molecule | Antagonist | - | - | Yes | No | Moukhametzianov R, Warne T, Edwards PC, Serrano-Vega MJ, Leslie AG, Tate CG, Schertler GF | 10.1073/PNAS.1100185108 | 2011-06-08 | No | |
OPSD | Rhodopsin | Opsins | A | Japanese flying squid | X-ray | 3AYN | - | 2.7 | B | Inactive | 13 | 77 | - | - | - | - | - | - |
Retinal (9-cis)
|
small-molecule | Inverse agonist | - | - | Yes | No | Murakami M, Kouyama T | 10.1016/J.JMB.2011.08.044 | 2011-08-17 | No | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 3RFM | 3RFM_refined | 3.6 | A | Inactive | 1 | 71 | - | - | - | - | - | - |
caffeine
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Dore AS, Robertson N, Errey JC, Ng I, Hollenstein K, Tehan B, Hurrell E, Bennett K, Congreve M, Magnani F, Tate CG, Weir M, Marshall FH | 10.1016/J.STR.2011.06.014 | 2011-09-07 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 3VGA | - | 3.1 | A | Inactive | 1 | 72 | - | - | - | - | - | - |
ZM-241385
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Hino T, Arakawa T, Iwanari H, Yurugi-Kobayashi T, Ikeda-Suno C, Nakada-Nakura Y, Kusano-Arai O, Weyand S, Shimamura T, Nomura N, Cameron AD, Kobayashi T, Hamakubo T, Iwata S, Murata T | 10.1038/NATURE10750 | 2012-02-01 | No | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 3UZA | 3UZA_refined | 3.3 | A | Inactive | 1 | 71 | - | - | - | - | - | - |
compound 4g [PMID: 22220592]
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Congreve M, Andrews SP, Doré AS, Hollenstein K, Hurrell E, Langmead CJ, Mason JS, Ng IW, Tehan B, Zhukov A, Weir M, Marshall FH. | 10.1021/jm201376w | 2012-03-21 | Yes | |
OPRM | μ | Opioid | A | Mouse | X-ray | 4DKL | 4DKL_refined | 2.8 | A | Inactive | 5 | 71 | - | - | - | - | T4-Lysozyme | - |
Methyl 4-[[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-4-oxobutanoate
|
small-molecule | Antagonist | - | - | Yes | No | Manglik A, Kruse AC, Kobilka TS, Thian FS, Mathiesen JM, Sunahara RK, Pardo L, Weis WI, Kobilka BK, Granier S | 10.1038/NATURE10954 | 2012-03-21 | Yes | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 4AMI | 4AMI_refined | 3.2 | A | Inactive | 0 | 58 | - | - | - | - | - | - |
Bucindolol
|
small-molecule | Agonist | - | - | Yes | No | Warne T, Edwards PC, Leslie AG, Tate CG | 10.1016/J.STR.2012.03.014 | 2012-05-23 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 4GBR | 4GBR_refined | 4.0 | A | Inactive | 0 | 69 | - | - | - | - | T4-Lysozyme | - |
Carazolol
|
small-molecule | Inverse agonist | (-)-noradrenaline, L-NOREPINEPHRINE, noradrenaline, Zn2+, (-)-adrenaline | small-molecule | Yes | No | Zou Y, Weis WI, Kobilka BK | 10.1371/JOURNAL.PONE.0046039 | 2012-10-24 | Yes | |
5HT1B | 5-HT1B | 5-Hydroxytryptamine | A | Human | X-ray | 4IAR | 4IAR_refined | 2.7 | A | Inactive | 83 | 70 | - | - | - | - | BRIL | - |
ergotamine
|
small-molecule | Agonist | 5-hydroxytryptamine, tryptamine, 5-HT-moduline | small-molecule | Yes | No | Wang C, Jiang Y, Ma J, Wu H, Wacker D, Katritch V, Han GW, Liu W, Huang XP, Vardy E, McCorvy JD, Gao X, Zhou XE, Melcher K, Zhang C, Bai F, Yang H, Yang L, Jiang H, Roth BL, Cherezov V, Stevens RC, Xu HE | 10.1126/SCIENCE.1232807 | 2013-03-13 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 4BEZ | - | 3.3 | A | Active | 99 | 94 | - | - | - | - | - | - |
Apo (no ligand)
|
none | Apo (no ligand) | - | - | No | No | Singhal A, Ostermaier MK, Vishnivetskiy SA, Panneels V, Homan KT, Tesmer JJ, Veprintsev D, Deupi X, Gurevich VV, Schertler GF, Standfuss J | 10.1038/EMBOR.2013.44 | 2013-04-24 | No | |
GLR | glucagon | Glucagon | B1 | Human | X-ray | 4L6R | 4L6R_refined | 3.3 | A | Inactive | 5 | 61 | - | - | - | - | BRIL | - | - | - | - | glucagon | peptide | No | No | Siu FY, He M, de Graaf C, Han GW, Yang D, Zhang Z, Zhou C, Xu Q, Wacker D, Joseph JS, Liu W, Lau J, Cherezov V, Katritch V, Wang MW, Stevens RC | 10.1038/nature12393 | 2013-07-24 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 4LDE | 4LDE_refined | 2.8 | A | Active | 100 | 69 | - | - | - | - | T4-Lysozyme | Nanobody |
BI-167107
|
small-molecule | Agonist | (-)-noradrenaline, L-NOREPINEPHRINE, noradrenaline, Zn2+, (-)-adrenaline | small-molecule | Yes | No | Ring AM, Manglik A, Kruse AC, Enos MD, Weis WI, Garcia KC, Kobilka BK | 10.1038/NATURE12572 | 2013-09-25 | Yes | |
ACM2 | M2 | Acetylcholine (muscarinic) | A | Human | X-ray | 4MQS | 4MQS_refined | 3.5 | A | Active | 100 | 59 | - | - | - | - | - | Nanobody |
iperoxo
|
small-molecule | Agonist | acetylcholine | small-molecule | Yes | No | Kruse AC, Ring AM, Manglik A, Hu J, Hu K, Eitel K, Hubner H, Pardon E, Valant C, Sexton PM, Christopoulos A, Felder CC, Gmeiner P, Steyaert J, Weis WI, Garcia KC, Wess J, Kobilka BK | 10.1038/NATURE12735 | 2013-11-27 | Yes | |
SMO | SMO | Frizzled | F | Human | X-ray | 4N4W | 4N4W_refined | 2.8 | A | Inactive | 0 | 44 | - | - | - | - | BRIL | - |
SANT-1
|
small-molecule | Antagonist | - | - | No | No | Wang C, Wu H, Evron T, Vardy E, Han GW, Huang XP, Hufeisen SJ, Mangano TJ, Urban DJ, Katritch V, Cherezov V, Caron MG, Roth BL, Stevens RC | 10.1038/NCOMMS5355 | 2014-01-22 | Yes | |
NTR1 | NTS1 | Neurotensin | A | Rat | X-ray | 4BWB | - | 3.6 | A | Inactive | 2 | 72 | - | - | - | - | - | - |
neurotensin
|
peptide | Agonist | neurotensin, neuromedin N | peptide | Yes | No | Egloff P, Hillenbrand M, Klenk C, Batyuk A, Heine P, Balada S, Schlinkmann KM, Scott DJ, Schutz M, Pluckthun A | 10.1073/PNAS.1317903111 | 2014-01-29 | No | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 4BVN | 4BVN_refined | 2.1 | A | Inactive | 0 | 60 | - | - | - | - | - | - |
(S)-Cyanopindolol
|
small-molecule | Antagonist | - | - | Yes | Yes | Miller-Gallacher JL, Nehme R, Warne T, Edwards PC, Schertler GF, Leslie AG, Tate CG | 10.1371/JOURNAL.PONE.0092727 | 2014-04-02 | Yes | |
P2Y12 | P2Y12 | P2Y | A | Human | X-ray | 4PY0 | 4PY0_refined | 3.1 | A | Intermediate | 36 | 83 | - | - | - | - | BRIL | - |
2MeSATP
|
small-molecule | Agonist (partial) | ADP, ATP | small-molecule | Yes | No | Zhang J, Zhang K, Gao ZG, Paoletta S, Zhang D, Han GW, Li T, Ma L, Zhang W, Muller CE, Yang H, Jiang H, Cherezov V, Katritch V, Jacobson KA, Stevens RC, Wu B, Zhao Q | 10.1038/NATURE13288 | 2014-04-30 | Yes | |
SMO | SMO | Frizzled | F | Human | X-ray | 4QIN | 4QIN_refined | 2.6 | A | Inactive | 12 | 43 | - | - | - | - | BRIL | - |
SAG1.5
|
small-molecule | Agonist | - | - | No | No | Wang C, Wu H, Evron T, Vardy E, Han GW, Huang XP, Hufeisen SJ, Mangano TJ, Urban DJ, Katritch V, Cherezov V, Caron MG, Roth BL, Stevens RC | 10.1038/NCOMMS5355 | 2014-07-23 | Yes | |
ACM3 | M3 | Acetylcholine (muscarinic) | A | Rat | X-ray | 4U15 | 4U15_refined | 2.8 | B | Inactive | 3 | 47 | - | - | - | - | T4-Lysozyme | - |
tiotropium
|
small-molecule | Antagonist | acetylcholine | small-molecule | Yes | No | Thorsen TS, Matt R, Weis WI, Kobilka BK | 10.1016/J.STR.2014.08.022 | 2014-11-26 | Yes | |
OX2R | OX2 | Orexin | A | Human | X-ray | 4S0V | 4S0V_refined | 2.5 | A | Inactive | 1 | 64 | - | - | - | - | Glycogen synthase | - |
suvorexant
|
small-molecule | Antagonist | orexin-A, orexin-B | peptide | Yes | No | Yin J, Mobarec JC, Kolb P, Rosenbaum DM | 10.1038/NATURE14035 | 2015-01-14 | Yes | |
P2RY1 | P2Y1 | P2Y | A | Human | X-ray | 4XNV | - | 2.2 | A | Intermediate | 36 | 78 | - | - | - | - | Rubredoxin | - |
BMS compound 16 [PMID:23368907]
|
small-molecule | NAM | ADP, ATP | small-molecule | Yes | No | Zhang D, Gao ZG, Zhang K, Kiselev E, Crane S, Wang J, Paoletta S, Yi C, Ma L, Zhang W, Han GW, Liu H, Cherezov V, Katritch V, Jiang H, Stevens RC, Jacobson KA, Zhao Q, Wu B | 10.1038/NATURE14287 | 2015-04-01 | Yes | |
P2RY1 | P2Y1 | P2Y | A | Human | X-ray | 4XNW | 4XNW_refined | 2.7 | A | Intermediate | 36 | 78 | - | - | - | - | Rubredoxin | - |
MRS2500
|
small-molecule | Antagonist | ADP, ATP | small-molecule | Yes | No | Zhang D, Gao ZG, Zhang K, Kiselev E, Crane S, Wang J, Paoletta S, Yi C, Ma L, Zhang W, Han GW, Liu H, Cherezov V, Katritch V, Jiang H, Stevens RC, Jacobson KA, Zhao Q, Wu B | 10.1038/NATURE14287 | 2015-04-01 | Yes | |
LPAR1 | LPA1 | Lysophospholipid (LPA) | A | Human | X-ray | 4Z34 | 4Z34_refined | 3.0 | A | Inactive | 1 | 80 | - | - | - | - | BRIL | - |
ONO-9780307
|
small-molecule | Antagonist | 1-O-Oleoyl-D-glycerol 3-phosphoric acid | small-molecule | Yes | No | Chrencik JE, Roth CB, Terakado M, Kurata H, Omi R, Kihara Y, Warshaviak D, Nakade S, Asmar-Rovira G, Mileni M, Mizuno H, Griffith MT, Rodgers C, Han GW, Velasquez J, Chun J, Stevens RC, Hanson MA | 10.1016/J.CELL.2015.06.002 | 2015-06-03 | Yes | |
NTR1 | NTS1 | Neurotensin | A | Rat | X-ray | 4XEE | 4XEE_refined | 2.9 | A | Active | 83 | 71 | - | - | - | - | T4-Lysozyme | - |
neurotensin
|
peptide | Agonist | neurotensin, neuromedin N | peptide | Yes | No | Krumm BE, White JF, Shah P, Grisshammer R | 10.1038/NCOMMS8895 | 2015-07-29 | Yes | |
GRM5 | mGlu5 | Metabotropic glutamate | C | Human | X-ray | 5CGC | 5CGC_refined | 3.1 | A | Inactive | 20 | 20 | - | - | - | - | T4-Lysozyme | - |
CHEMBL3603915
|
small-molecule | NAM | L-glutamic acid | small-molecule | No | No | Christopher JA, Aves SJ, Bennett KA, Doré AS, Errey JC, Jazayeri A, Marshall FH, Okrasa K, Serrano-Vega MJ, Tehan BG, Wiggin GR, Congreve M. | 10.1021/acs.jmedchem.5b00892 | 2015-08-12 | Yes | |
AGTR1 | AT1 | Angiotensin | A | Human | X-ray | 4ZUD | 4ZUD_refined | 2.8 | A | Inactive | 5 | 75 | - | - | - | - | BRIL | - |
OLMESARTAN
|
small-molecule | Inverse agonist | angiotensin IV, angiotensin II, angiotensin III, angiotensin A | peptide | Yes | No | Zhang H, Unal H, Desnoyer R, Han GW, Patel N, Katritch V, Karnik SS, Cherezov V, Stevens RC | 10.1074/JBC.M115.689000 | 2015-10-07 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 4X1H | 4X1H_refined | 2.3 | A | Active | 100 | 94 | Gi/o | αt1 | Only H5 | 3 | - | - |
B-Nonylglucoside
|
small-molecule | unknown | - | - | No | No | Blankenship E, Vahedi-Faridi A, Lodowski DT | 10.1016/J.STR.2015.09.015 | 2015-11-04 | Yes | |
OX1R | OX1 | Orexin | A | Human | X-ray | 4ZJ8 | 4ZJ8_refined | 2.8 | A | Inactive | 1 | 72 | - | - | - | - | GlgA glycogen synthase | - |
suvorexant
|
small-molecule | Antagonist | orexin-A, orexin-B | peptide | No | No | Yin J, Babaoglu K, Brautigam CA, Clark L, Shao Z, Scheuermann TH, Harrell CM, Gotter AL, Roecker AJ, Winrow CJ, Renger JJ, Coleman PJ, Rosenbaum DM | 10.1038/NSMB.3183 | 2016-03-09 | Yes | |
OPSD | Rhodopsin | Opsins | A | Human | X-ray | 5DGY | 5DGY_refined | 7.7 | A | Active | 100 | 94 | Visual | S-arrestin | - | 86 | T4-Lysozyme | - |
Apo (no ligand)
|
none | Apo (no ligand) | - | - | No | No | Zhou XE, Gao X, Barty A, Kang Y, He Y, Liu W, Ishchenko A, White TA, Yefanov O, Han GW, Xu Q, de Waal PW, Suino-Powell KM, Boutet S, Williams GJ, Wang M, Li D, Caffrey M, Chapman HN, Spence JC, Fromme P, Weierstall U, Stevens RC, Cherezov V, Melcher K, Xu HE | 10.1038/SDATA.2016.21 | 2016-03-23 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 5JQH | 5JQH_refined | 3.2 | A | Inactive | 0 | 70 | - | - | - | - | T4-Lysozyme | Nanobody |
Carazolol
|
small-molecule | Inverse agonist | (-)-noradrenaline, L-NOREPINEPHRINE, noradrenaline, Zn2+, (-)-adrenaline | small-molecule | Yes | No | Staus DP, Strachan RT, Manglik A, Pani B, Kahsai AW, Kim TH, Wingler LM, Ahn S, Chatterjee A, Masoudi A, Kruse AC, Pardon E, Steyaert J, Weis WI, Prosser RS, Kobilka BK, Costa T, Lefkowitz RJ | 10.1038/NATURE18636 | 2016-07-13 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 5DYS | 5DYS_refined | 2.3 | A | Active | 99 | 94 | - | - | - | - | - | - |
Retinal (all-trans)
|
small-molecule | Agonist | - | - | No | No | Singhal A, Guo Y, Matkovic M, Schertler G, Deupi X, Yan EC, Standfuss J | 10.15252/EMBR.201642671 | 2016-08-10 | Yes | |
EDNRB | ETB | Endothelin | A | Human | X-ray | 5GLH | 5GLH_refined | 2.8 | A | Inactive | 13 | 66 | - | - | - | - | T4-Lysozyme | - |
ENDOTHELIN
|
protein | Agonist | endothelin-3, endothelin-2, endothelin-1 | peptide | Yes | No | Shihoya W, Nishizawa T, Okuta A, Tani K, Dohmae N, Fujiyoshi Y, Nureki O, Doi T | 10.1038/nature19319 | 2016-09-07 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5K2D | 5K2D_refined | 1.9 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
ZM-241385
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | Batyuk A, Galli L, Ishchenko A, Han GW, Gati C, Popov PA, Lee MY, Stauch B, White TA, Barty A, Aquila A, Hunter MS, Liang M, Boutet S, Pu M, Liu ZJ, Nelson G, James D, Li C, Zhao Y, Spence JC, Liu W, Fromme P, Katritch V, Weierstall U, Stevens RC, Cherezov V | 10.1126/SCIADV.1600292 | 2016-09-21 | Yes | |
CCR2 | CCR2 | Chemokine | A | Human | X-ray | 5T1A | 5T1A_refined | 2.8 | A | Inactive | 12 | 76 | - | - | - | - | T4-Lysozyme | - |
CCR2-RA-[R]
BMS-681 |
small-molecule small-molecule |
Allosteric antagonist Antagonist |
CCL8, CCL26, CCL24, CCL11, CCL7, CCL2, CCL16, CCL13 | peptide | No | No | Zheng Y, Qin L, Zacarias NV, de Vries H, Han GW, Gustavsson M, Dabros M, Zhao C, Cherney RJ, Carter P, Stamos D, Abagyan R, Cherezov V, Stevens RC, IJzerman AP, Heitman LH, Tebben A, Kufareva I, Handel TM | 10.1038/NATURE20605 | 2016-12-14 | Yes | |
AA1R | A1 | Adenosine | A | Human | X-ray | 5UEN | 5UEN_refined | 3.2 | B | Inactive | 1 | 91 | - | - | - | - | BRIL | - |
DU172
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Glukhova A, Thal DM, Nguyen AT, Vecchio EA, Jorg M, Scammells PJ, May LT, Sexton PM, Christopoulos A | 10.1016/j.cell.2017.01.042 | 2017-03-01 | Yes | |
AGTR2 | AT2 | Angiotensin | A | Human | X-ray | 5UNG | 5UNG_refined | 2.8 | B | Active | 99 | 83 | - | - | - | - | BRIL | - |
compound 1 [PMID: 28379944]
|
small-molecule | Antagonist | angiotensin-(1-7), angiotensin II, angiotensin III | peptide | Yes | No | Zhang H, Han GW, Batyuk A, Ishchenko A, White KL, Patel N, Sadybekov A, Zamlynny B, Rudd MT, Hollenstein K, Tolstikova A, White TA, Hunter MS, Weierstall U, Liu W, Babaoglu K, Moore EL, Katz RD, Shipman JM, Garcia-Calvo M, Sharma S, Sheth P, Soisson SM, Stevens RC, Katritch V, Cherezov V | 10.1038/NATURE22035 | 2017-04-05 | Yes | |
PAR2 | PAR2 | Proteinase-activated | A | Human | X-ray | 5NJ6 | 5NJ6_refined | 4.0 | A | Intermediate | 36 | 74 | - | - | - | - | BRIL | Fab3949 | - | - | - | - | - | Yes | No | Cheng RKY, Fiez-Vandal C, Schlenker O, Edman K, Aggeler B, Brown DG, Brown GA, Cooke RM, Dumelin CE, Dore AS, Geschwindner S, Grebner C, Hermansson NO, Jazayeri A, Johansson P, Leong L, Prihandoko R, Rappas M, Soutter H, Snijder A, Sundstrom L, Tehan B, Thornton P, Troast D, Wiggin G, Zhukov A, Marshall FH, Dekker N | 10.1038/NATURE22309 | 2017-05-03 | Yes | |
SMO | SMO | Frizzled | F | Human | X-ray | 5V56 | 5V56_refined | 2.9 | B | Inactive | 1 | 61 | - | - | - | - | Flavodoxin | - |
N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-4-nitro-2-(trifluoromethyl)benzamide
|
small-molecule | Antagonist | - | - | No | No | Zhang X, Zhao F, Wu Y, Yang J, Han GW, Zhao S, Ishchenko A, Ye L, Lin X, Ding K, Dharmarajan V, Griffin PR, Gati C, Nelson G, Hunter MS, Hanson MA, Cherezov V, Stevens RC, Tan W, Tao H, Xu F | 10.1038/NCOMMS15383 | 2017-05-24 | Yes | |
GLR | glucagon | Glucagon | B1 | Human | X-ray | 5XEZ | 5XEZ_refined | 3.0 | B | Inactive | 0 | 82 | - | - | - | - | T4-Lysozyme | Antibody |
NNC0640
|
small-molecule | NAM | glucagon | peptide | No | No | Zhang H, Qiao A, Yang D, Yang L, Dai A, de Graaf C, Reedtz-Runge S, Dharmarajan V, Zhang H, Han GW, Grant TD, Sierra RG, Weierstall U, Nelson G, Liu W, Wu Y, Ma L, Cai X, Lin G, Wu X, Geng Z, Dong Y, Song G, Griffin PR, Lau J, Cherezov V, Yang H, Hanson MA, Stevens RC, Zhao Q, Jiang H, Wang MW, Wu B | 10.1038/NATURE22363 | 2017-05-24 | Yes | |
FFAR1 | FFA1 | Free fatty acid | A | Human | X-ray | 5TZR | 5TZR_refined | 2.2 | A | Intermediate | 46 | 91 | - | - | - | - | T4-Lysozyme | - |
MK-8666
|
small-molecule | Agonist | myristic acid, α-linolenic acid, oleic acid, docosahexaenoic acid | small-molecule | No | No | Lu J, Byrne N, Wang J, Bricogne G, Brown FK, Chobanian HR, Colletti SL, Di Salvo J, Thomas-Fowlkes B, Guo Y, Hall DL, Hadix J, Hastings NB, Hermes JD, Ho T, Howard AD, Josien H, Kornienko M, Lumb KJ, Miller MW, Patel SB, Pio B, Plummer CW, Sherborne BS, Sheth P, Souza S, Tummala S, Vonrhein C, Webb M, Allen SJ, Johnston JM, Weinglass AB, Sharma S, Soisson SM | 10.1038/NSMB.3417 | 2017-06-07 | Yes | |
CNR1 | CB1 | Cannabinoid | A | Human | X-ray | 5XR8 | 5XR8_refined | 3.0 | A | Active | 97 | 60 | - | - | - | - | Flavodoxin | - |
AM841
|
small-molecule | Agonist | 2-arachidonoylglycerol, anandamide | small-molecule | Yes | No | Hua T, Vemuri K, Nikas SP, Laprairie RB, Wu Y, Qu L, Pu M, Korde A, Jiang S, Ho JH, Han GW, Ding K, Li X, Liu H, Hanson MA, Zhao S, Bohn LM, Makriyannis A, Stevens RC, Liu ZJ | 10.1038/NATURE23272 | 2017-07-12 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5MZP | 5MZP_refined | 2.1 | A | Inactive | 1 | 71 | - | - | - | - | BRIL | - |
caffeine
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | Cheng RKY, Segala E, Robertson N, Deflorian F, Dore AS, Errey JC, Fiez-Vandal C, Marshall FH, Cooke RM | 10.1016/j.str.2017.06.012 | 2017-07-26 | Yes | |
OPSD | Rhodopsin | Opsins | A | Human | X-ray | 5W0P | 5W0P_refined | 3.0 | D | Active | 100 | 93 | Visual | S-arrestin | - | 90 | T4-Lysozyme | - |
Apo (no ligand)
|
none | Apo (no ligand) | - | - | No | No | Zhou XE, He Y, de Waal PW, Gao X, Kang Y, Van Eps N, Yin Y, Pal K, Goswami D, White TA, Barty A, Latorraca NR, Chapman HN, Hubbell WL, Dror RO, Stevens RC, Cherezov V, Gurevich VV, Griffin PR, Ernst OP, Melcher K, Xu HE | 10.1016/J.CELL.2017.07.002 | 2017-08-09 | Yes | |
DRD4 | D4 | Dopamine | A | Human | X-ray | 5WIV | - | 2.1 | A | Inactive | 1 | 58 | - | - | - | - | BRIL | - |
[3H]NEMONAPRIDE
|
small-molecule | Antagonist | dopamine | small-molecule | Yes | Yes | Wang S, Wacker D, Levit A, Che T, Betz RM, McCorvy JD, Venkatakrishnan AJ, Huang XP, Dror RO, Shoichet BK, Roth BL | 10.1126/SCIENCE.AAN5468 | 2017-10-18 | Yes | |
OX2R | OX2 | Orexin | A | Human | X-ray | 5WS3 | 5WS3_refined | 2.3 | A | Inactive | 1 | 70 | - | - | - | - | Glycogen synthase | - |
EMPA
|
small-molecule | Antagonist | orexin-A, orexin-B | peptide | Yes | No | Suno R, Kimura KT, Nakane T, Yamashita K, Wang J, Fujiwara T, Yamanaka Y, Im D, Horita S, Tsujimoto H, Tawaramoto MS, Hirokawa T, Nango E, Tono K, Kameshima T, Hatsui T, Joti Y, Yabashi M, Shimamoto K, Yamamoto M, Rosenbaum DM, Iwata S, Shimamura T, Kobayashi T | 10.1016/J.STR.2017.11.005 | 2017-12-13 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5OLG | 5OLG_refined | 1.9 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
ZM-241385
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | Rucktooa P, Cheng RKY, Segala E, Geng T, Errey JC, Brown GA, Cooke RM, Marshall FH, Dore AS | 10.1038/S41598-017-18570-W | 2018-01-17 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5OLZ | 5OLZ_refined | 1.9 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
CHEMBL2024114
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | Rucktooa P, Cheng RKY, Segala E, Geng T, Errey JC, Brown GA, Cooke RM, Marshall FH, Dore AS | 10.1038/S41598-017-18570-W | 2018-01-17 | Yes | |
OPRK | κ | Opioid | A | Human | X-ray | 6B73 | 6B73_refined | 3.1 | A | Active | 100 | 73 | - | - | - | - | BRIL | Nanobody |
MP1104
|
small-molecule | Agonist | β-neoendorphin, big dynorphin, dynorphin A-(1-8), dynorphin A-(1-13), α-neoendorphin, β-endorphin, dynorphin B, dynorphin A | peptide | Yes | No | Che T, Majumdar S, Zaidi SA, Ondachi P, McCorvy JD, Wang S, Mosier PD, Uprety R, Vardy E, Krumm BE, Han GW, Lee MY, Pardon E, Steyaert J, Huang XP, Strachan RT, Tribo AR, Pasternak GW, Carroll FI, Stevens RC, Cherezov V, Katritch V, Wacker D, Roth BL | 10.1016/J.CELL.2017.12.011 | 2018-01-17 | Yes | |
5HT2C | 5-HT2C | 5-Hydroxytryptamine | A | Human | X-ray | 6BQH | 6BQH_refined | 2.7 | A | Inactive | 1 | 63 | - | - | - | - | BRIL | - |
ritanserin
|
small-molecule | Inverse agonist | 5-hydroxytryptamine | small-molecule | Yes | No | Peng Y, McCorvy JD, Harpsoe K, Lansu K, Yuan S, Popov P, Qu L, Pu M, Che T, Nikolajsen LF, Huang XP, Wu Y, Shen L, Bjorn-Yoshimoto WE, Ding K, Wacker D, Han GW, Cheng J, Katritch V, Jensen AA, Hanson MA, Zhao S, Gloriam DE, Roth BL, Stevens RC, Liu ZJ | 10.1016/j.cell.2018.01.001 | 2018-02-14 | Yes | |
GRM5 | mGlu5 | Metabotropic glutamate | C | Human | X-ray | 6FFH | 6FFH_refined | 2.7 | A | Inactive | 20 | 21 | - | - | - | - | T4-Lysozyme | - |
fenobam
|
small-molecule | NAM | L-glutamic acid | small-molecule | No | No | Christopher JA, Orgovan Z, Congreve M, Dore AS, Errey JC, Marshall FH, Mason JS, Okrasa K, Rucktooa P, Serrano-Vega MJ, Ferenczy GG, Keseru GM | 10.1021/ACS.JMEDCHEM.7B01722 | 2018-03-07 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 6FK6 | 6FK6_refined | 2.4 | A | Active | 99 | 94 | - | - | - | - | - | - |
COMPOUND SUMMARY
|
small-molecule | Agonist | - | - | No | No | Mattle D, Kuhn B, Aebi J, Bedoucha M, Kekilli D, Grozinger N, Alker A, Rudolph MG, Schmid G, Schertler GFX, Hennig M, Standfuss J, Dawson RJP | 10.1073/PNAS.1718084115 | 2018-04-04 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 6FK9 | 6FK9_refined | 2.6 | A | Active | 99 | 94 | - | - | - | - | - | - |
(2~{S})-3-methyl-2-phenyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one
|
small-molecule | Agonist | - | - | No | No | Mattle D, Kuhn B, Aebi J, Bedoucha M, Kekilli D, Grozinger N, Alker A, Rudolph MG, Schmid G, Schertler GFX, Hennig M, Standfuss J, Dawson RJP | 10.1073/PNAS.1718084115 | 2018-04-04 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 6FKD | 6FKD_refined | 2.5 | A | Active | 99 | 94 | - | - | - | - | - | - |
5-chloro-2-(2-oxo-2-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-ylethyl)-3H-pyridin-6-one
|
small-molecule | Agonist | - | - | No | No | Mattle D, Kuhn B, Aebi J, Bedoucha M, Kekilli D, Grozinger N, Alker A, Rudolph MG, Schmid G, Schertler GFX, Hennig M, Standfuss J, Dawson RJP | 10.1073/PNAS.1718084115 | 2018-04-04 | Yes | |
AA2AR | A2A | Adenosine | A | Human | cryo-EM | 6GDG | 6GDG_refined | 4.1 | A | Active | 100 | 64 | Gs | αs | - | 57 | TrxA | Nanobody-35 |
NECA
|
small-molecule | Agonist | adenosine | small-molecule | Yes | No | Garcia-Nafria J, Lee Y, Bai X, Carpenter B, Tate CG | 10.7554/ELIFE.35946 | 2018-05-16 | Yes | |
C5AR1 | C5a1 | Complement peptide | A | Human | X-ray | 6C1R | 6C1R_refined | 2.2 | B | Inactive | 6 | 83 | - | - | - | - | BRIL | - |
PMX53
avacopan |
peptide small-molecule |
Antagonist NAM |
C5a des-Arg, C3a, ribosomal protein S19, C5a | peptide | Yes | No | Liu H, Kim HR, Deepak RNVK, Wang L, Chung KY, Fan H, Wei Z, Zhang C | 10.1038/S41594-018-0067-Z | 2018-05-30 | Yes | |
PTAFR | PAF | Platelet-activating factor | A | Human | X-ray | 5ZKP | 5ZKP_refined | 2.8 | A | Other | - | 85 | - | - | - | - | Flavodoxin | - |
foropafant
|
small-molecule | Antagonist | PAF, methylcarbamyl PAF | small-molecule | Yes | No | Cao C, Tan Q, Xu C, He L, Yang L, Zhou Y, Zhou Y, Qiao A, Lu M, Yi C, Han GW, Wang X, Li X, Yang H, Rao Z, Jiang H, Zhao Y, Liu J, Stevens RC, Zhao Q, Zhang XC, Wu B | 10.1038/S41594-018-0068-Y | 2018-06-20 | Yes | |
PTAFR | PAF | Platelet-activating factor | A | Human | X-ray | 5ZKQ | 5ZKQ_refined | 2.9 | B | Intermediate | 36 | 83 | - | - | - | - | T4-Lysozyme | - |
ABT-491
|
small-molecule | Inverse agonist | PAF, methylcarbamyl PAF | small-molecule | Yes | No | Cao C, Tan Q, Xu C, He L, Yang L, Zhou Y, Zhou Y, Qiao A, Lu M, Yi C, Han GW, Wang X, Li X, Yang H, Rao Z, Jiang H, Zhao Y, Liu J, Stevens RC, Zhao Q, Zhang XC, Wu B | 10.1038/S41594-018-0068-Y | 2018-06-20 | Yes | |
AGTR2 | AT2 | Angiotensin | A | Human | X-ray | 5XJM | 5XJM_refined | 3.2 | A | Active | 99 | 78 | - | - | - | - | BRIL | Fab |
CHEMBL404594
|
protein | Agonist | angiotensin-(1-7), angiotensin II, angiotensin III | peptide | Yes | No | Asada H, Horita S, Hirata K, Shiroishi M, Shiimura Y, Iwanari H, Hamakubo T, Shimamura T, Nomura N, Kusano-Arai O, Uemura T, Suno C, Kobayashi T, Iwata S | 10.1038/S41594-018-0079-8 | 2018-07-11 | Yes | |
5HT2B | 5-HT2B | 5-Hydroxytryptamine | A | Human | X-ray | 6DRZ | 6DRZ_refined | 3.1 | A | Intermediate | 36 | 61 | - | - | - | - | BRIL | - |
methysergide
|
small-molecule | Antagonist | 5-hydroxytryptamine | small-molecule | Yes | No | McCorvy JD, Wacker D, Wang S, Agegnehu B, Liu J, Lansu K, Tribo AR, Olsen RHJ, Che T, Jin J, Roth BL | 10.1038/s41594-018-0116-7 | 2018-08-29 | Yes | |
PD2R2 | DP2 | Prostanoid | A | Human | X-ray | 6D27 | 6D27_refined | 2.7 | A | Inactive | 19 | 81 | - | - | - | - | T4-Lysozyme | - |
CHEMBL179036
|
small-molecule | Antagonist | PGD3, PGD2, PGI2, PGE2, PGJ2, thromboxane A2, PGF2α | small-molecule | Yes | No | Wang L, Yao D, Deepak RNVK, Liu H, Xiao Q, Fan H, Gong W, Wei Z, Zhang C | 10.1016/J.MOLCEL.2018.08.009 | 2018-10-03 | Yes | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 6H7L | 6H7L_refined | 2.7 | A | Active | 100 | 60 | - | - | - | - | Thioredoxin 1 | Camelid antibody fragment Nb6B9 |
Dobutamine
|
small-molecule | Agonist | - | - | Yes | No | Warne T, Edwards PC, Dore AS, Leslie AGW, Tate CG | 10.1126/SCIENCE.AAU5595 | 2018-10-17 | Yes | |
CCR5 | CCR5 | Chemokine | A | Human | X-ray | 6AKX | 6AKX_refined | 2.8 | B | Inactive | 12 | 82 | - | - | - | - | Rubredoxin | - |
N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-2-yl)propyl]cyclopentanecarboxamide
|
small-molecule | Antagonist | CCL8, CCL4, CCL11, CCL7, CCL14, CCL2, CCL3, CCL16, CCL5, CCL13 | peptide | No | No | Peng P, Chen H, Zhu Y, Wang Z, Li J, Luo RH, Wang J, Chen L, Yang LM, Jiang H, Xie X, Wu B, Zheng YT, Liu H. | 10.1021/acs.jmedchem.8b01077 | 2018-10-24 | Yes | |
ACM2 | M2 | Acetylcholine (muscarinic) | A | Human | X-ray | 5ZK3 | 5ZK3_refined | 2.6 | A | Inactive | 3 | 59 | - | - | - | - | BRIL | - |
CHEMBL558910
|
small-molecule | Antagonist | acetylcholine | small-molecule | No | No | Suno R, Lee S, Maeda S, Yasuda S, Yamashita K, Hirata K, Horita S, Tawaramoto MS, Tsujimoto H, Murata T, Kinoshita M, Yamamoto M, Kobilka BK, Vaidehi N, Iwata S, Kobayashi T | 10.1038/S41589-018-0152-Y | 2018-11-21 | Yes | |
ACM2 | M2 | Acetylcholine (muscarinic) | A | Human | X-ray | 5ZKC | 5ZKC_refined | 2.3 | A | Inactive | 3 | 60 | - | - | - | - | BRIL | - |
N-methyl scopolamine
|
small-molecule | Antagonist | acetylcholine | small-molecule | No | No | Suno R, Lee S, Maeda S, Yasuda S, Yamashita K, Hirata K, Horita S, Tawaramoto MS, Tsujimoto H, Murata T, Kinoshita M, Yamamoto M, Kobilka BK, Vaidehi N, Iwata S, Kobayashi T | 10.1038/S41589-018-0152-Y | 2018-11-21 | Yes | |
ACM3 | M3 | Acetylcholine (muscarinic) | A | Rat | X-ray | 5ZHP | 5ZHP_refined | 3.1 | B | Inactive | 3 | 47 | - | - | - | - | T4-Lysozyme | - |
(1R,2R,4S,5S,7s)-7-({[4-fluoro-2-(thiophen-2-yl)phenyl]carbamoyl}oxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium
|
small-molecule | Antagonist | acetylcholine | small-molecule | No | No | Liu H, Hofmann J, Fish I, Schaake B, Eitel K, Bartuschat A, Kaindl J, Rampp H, Banerjee A, Hubner H, Clark MJ, Vincent SG, Fisher JT, Heinrich MR, Hirata K, Liu X, Sunahara RK, Shoichet BK, Kobilka BK, Gmeiner P | 10.1073/PNAS.1813988115 | 2018-11-28 | Yes | |
PE2R3 | EP3 | Prostanoid | A | Human | X-ray | 6M9T | 6M9T_refined | 2.5 | A | Active | 83 | 70 | - | - | - | - | T4-Lysozyme | - |
Misoprostol-FA
|
small-molecule | Agonist | PGD2, PGI2, PGE1, PGE2, thromboxane A2, PGF2α | small-molecule | Yes | No | Audet M, White KL, Breton B, Zarzycka B, Han GW, Lu Y, Gati C, Batyuk A, Popov P, Velasquez J, Manahan D, Hu H, Weierstall U, Liu W, Shui W, Katritch V, Cherezov V, Hanson MA, Stevens RC | 10.1038/S41589-018-0160-Y | 2018-12-05 | Yes | |
TA2R | TP | Prostanoid | A | Human | X-ray | 6IIU | 6IIU_refined | 2.5 | A | Intermediate | 46 | 87 | - | - | - | - | Rubredoxin | - |
ramatroban
|
small-molecule | Antagonist | PGH2, PGD2, PGI2, PGE2, thromboxane A2, PGF2α | small-molecule | No | No | Fan H, Chen S, Yuan X, Han S, Zhang H, Xia W, Xu Y, Zhao Q, Wu B | 10.1038/S41589-018-0170-9 | 2018-12-19 | Yes | |
CCR2 | CCR2 | Chemokine | A | Human | X-ray | 6GPS | 6GPS_refined | 3.3 | A | Inactive | 12 | 74 | - | - | - | - | Rubredoxin | - |
MK-0812
|
small-molecule | Antagonist | CCL8, CCL26, CCL24, CCL11, CCL7, CCL2, CCL16, CCL13 | peptide | No | No | Apel AK, Cheng RKY, Tautermann CS, Brauchle M, Huang CY, Pautsch A, Hennig M, Nar H, Schnapp G | 10.1016/J.STR.2018.10.027 | 2019-01-02 | Yes | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 6IBL | 6IBL_refined | 2.7 | A | Active | 100 | 60 | - | - | - | - | Thioredoxin 1 | Camelid antibody fragment Nb80 |
arformoterol
|
small-molecule | Agonist | - | - | Yes | No | - | 10.1101/436212 | 2019-01-09 | Yes | |
NK1R | NK1 | Tachykinin | A | Human | X-ray | 6HLO | 6HLO_refined | 2.4 | A | Inactive | 1 | 70 | - | - | - | - | GlgA glycogen synthase | - |
aprepitant
|
small-molecule | Antagonist | neuropeptide-γ, hemokinin 1, neurokinin B, neuropeptide K, neurokinin A, substance P | peptide | Yes | No | Schoppe J, Ehrenmann J, Klenk C, Rucktooa P, Schutz M, Dore AS, Pluckthun A | 10.1038/S41467-018-07939-8 | 2019-01-16 | Yes | |
GRM5 | mGlu5 | Metabotropic glutamate | C | Human | cryo-EM | 6N52 | 6N52_refined | 4.0 | A | Inactive | 29 | 64 | - | - | - | - | - | Nanobody-43 | - | - | - | L-glutamic acid | small-molecule | No | No | - | - | 2019-01-23 | Yes | |
CALCR | CT | Calcitonin | B1 | Human | cryo-EM | 6NIY | 6NIY_refined | 3.3 | R | Active | 100 | 55 | Gs | αs | - | 43 | - | - |
calcitonin (salmon synthetic)
|
small-molecule | Agonist | adrenomedullin, α-CGRP, calcitonin (salmon), adrenomedullin 2/intermedin, amylin, calcitonin, β-CGRP | peptide | No | No | Dal Maso E, Glukhova A, Zhu Y, Garcia-Nafria J, Tate CG, Atanasio S, Reynolds CA, Ramirez-Aportela E, Carazo JM, Hick CA, Furness SGB, Hay DL, Liang YL, Miller LJ, Christopoulos A, Wang MW, Wootten D, Sexton PM | 10.1021/ACSPTSCI.8B00056 | 2019-01-23 | Yes | |
CNR1 | CB1 | Cannabinoid | A | Human | cryo-EM | 6N4B | 6N4B_refined | 3.0 | R | Active | 100 | 58 | Gi/o | αi1 | - | 62 | - | scFv16 |
MDMB-Fubinaca
|
small-molecule | Agonist | 2-arachidonoylglycerol, anandamide | small-molecule | Yes | No | Krishna Kumar K, Shalev-Benami M, Robertson MJ, Hu H, Banister SD, Hollingsworth SA, Latorraca NR, Kato HE, Hilger D, Maeda S, Weis WI, Farrens DL, Dror RO, Malhotra SV, Kobilka BK, Skiniotis G | 10.1016/J.CELL.2018.11.040 | 2019-01-30 | Yes | |
5HT2A | 5-HT2A | 5-Hydroxytryptamine | A | Human | X-ray | 6A94 | 6A94_refined | 2.9 | A | Inactive | 1 | 60 | - | - | - | - | BRIL | - |
zotepine
|
small-molecule | Antagonist | 5-hydroxytryptamine, tryptamine | small-molecule | No | No | Kimura KT, Asada H, Inoue A, Kadji FMN, Im D, Mori C, Arakawa T, Hirata K, Nomura Y, Nomura N, Aoki J, Iwata S, Shimamura T | 10.1038/S41594-018-0180-Z | 2019-02-13 | Yes | |
NK1R | NK1 | Tachykinin | A | Human | X-ray | 6J21 | 6J21_refined | 3.2 | A | Inactive | 1 | 71 | - | - | - | - | T4-Lysozyme | - |
aprepitant
|
small-molecule | Antagonist | neuropeptide-γ, hemokinin 1, neurokinin B, neuropeptide K, neurokinin A, substance P | peptide | Yes | No | Chen S, Lu M, Liu D, Yang L, Yi C, Ma L, Zhang H, Liu Q, Frimurer TM, Wang MW, Schwartz TW, Stevens RC, Wu B, Wuthrich K, Zhao Q | 10.1038/S41467-019-08568-5 | 2019-03-06 | Yes | |
PTH1R | PTH1 | Parathyroid hormone | B1 | Human | cryo-EM | 6NBH | - | 3.5 | R | Active | 100 | 64 | Gs | αs | - | 57 | - | Nanobody-35 |
Long-acting parathyroid hormone analog
|
peptide | Agonist | PTHrP-(1-36), TIP39, PTH, PTHrP | peptide | No | No | Zhao LH, Ma S, Sutkeviciute I, Shen DD, Zhou XE, de Waal PW, Li CY, Kang Y, Clark LJ, Jean-Alphonse FG, White AD, Yang D, Dai A, Cai X, Chen J, Li C, Jiang Y, Watanabe T, Gardella TJ, Melcher K, Wang MW, Vilardaga JP, Xu HE, Zhang Y | 10.1126/SCIENCE.AAV7942 | 2019-04-17 | Yes | |
MTR1A | MT1 | Melatonin | A | Human | X-ray | 6ME2 | 6ME2_refined | 2.8 | A | Inactive | 1 | 83 | - | - | - | - | GlgA glycogen synthase | - |
ramelteon
|
small-molecule | Agonist | melatonin | small-molecule | No | No | Stauch B, Johansson LC, McCorvy JD, Patel N, Han GW, Huang XP, Gati C, Batyuk A, Slocum ST, Ishchenko A, Brehm W, White TA, Michaelian N, Madsen C, Zhu L, Grant TD, Grandner JM, Shiriaeva A, Olsen RHJ, Tribo AR, Yous S, Stevens RC, Weierstall U, Katritch V, Roth BL, Liu W, Cherezov V | 10.1038/S41586-019-1141-3 | 2019-04-24 | Yes | |
MTR1A | MT1 | Melatonin | A | Human | X-ray | 6ME3 | 6ME3_refined | 2.9 | A | Inactive | 1 | 82 | - | - | - | - | GlgA glycogen synthase | - |
2-phenylmelatonin
|
small-molecule | Agonist | melatonin | small-molecule | No | No | Stauch B, Johansson LC, McCorvy JD, Patel N, Han GW, Huang XP, Gati C, Batyuk A, Slocum ST, Ishchenko A, Brehm W, White TA, Michaelian N, Madsen C, Zhu L, Grant TD, Grandner JM, Shiriaeva A, Olsen RHJ, Tribo AR, Yous S, Stevens RC, Weierstall U, Katritch V, Roth BL, Liu W, Cherezov V | 10.1038/S41586-019-1141-3 | 2019-04-24 | Yes | |
MTR1A | MT1 | Melatonin | A | Human | X-ray | 6ME5 | 6ME5_refined | 3.2 | A | Inactive | 1 | 83 | - | - | - | - | GlgA glycogen synthase | - |
agomelatine
|
small-molecule | Agonist | melatonin | small-molecule | No | No | Stauch B, Johansson LC, McCorvy JD, Patel N, Han GW, Huang XP, Gati C, Batyuk A, Slocum ST, Ishchenko A, Brehm W, White TA, Michaelian N, Madsen C, Zhu L, Grant TD, Grandner JM, Shiriaeva A, Olsen RHJ, Tribo AR, Yous S, Stevens RC, Weierstall U, Katritch V, Roth BL, Liu W, Cherezov V | 10.1038/S41586-019-1141-3 | 2019-04-24 | Yes | |
MTR1B | MT2 | Melatonin | A | Human | X-ray | 6ME7 | 6ME7_refined | 3.2 | A | Inactive | 1 | 79 | - | - | - | - | Rubredoxin | - |
2-phenylmelatonin
|
small-molecule | Agonist | melatonin | small-molecule | No | No | Johansson LC, Stauch B, McCorvy JD, Han GW, Patel N, Huang XP, Batyuk A, Gati C, Slocum ST, Li C, Grandner JM, Hao S, Olsen RHJ, Tribo AR, Zaare S, Zhu L, Zatsepin NA, Weierstall U, Yous S, Stevens RC, Liu W, Roth BL, Katritch V, Cherezov V | 10.1038/S41586-019-1144-0 | 2019-04-24 | Yes | |
MTR1B | MT2 | Melatonin | A | Human | X-ray | 6ME9 | 6ME9_refined | 3.3 | B | Inactive | 1 | 79 | - | - | - | - | Rubredoxin | - |
ramelteon
|
small-molecule | Agonist | melatonin | small-molecule | No | No | Johansson LC, Stauch B, McCorvy JD, Han GW, Patel N, Huang XP, Batyuk A, Gati C, Slocum ST, Li C, Grandner JM, Hao S, Olsen RHJ, Tribo AR, Zaare S, Zhu L, Zatsepin NA, Weierstall U, Yous S, Stevens RC, Liu W, Roth BL, Katritch V, Cherezov V | 10.1038/S41586-019-1144-0 | 2019-04-24 | Yes | |
ACM1 | M1 | Acetylcholine (muscarinic) | A | Human | cryo-EM | 6OIJ | 6OIJ_refined | 3.3 | R | Active | 100 | 64 | Gq/11 | α11 | - | 63 | - | Antibody fragment |
iperoxo
|
small-molecule | Agonist | acetylcholine | small-molecule | Yes | No | Maeda S, Qu Q, Robertson MJ, Skiniotis G, Kobilka BK | 10.1126/SCIENCE.AAW5188 | 2019-05-08 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 6E67 | 6E67_refined | 3.7 | B | Active | 100 | 72 | Gs | αs | Fused partial Gs | 44 | T4-Lysozyme | - |
BI-167107
|
small-molecule | Agonist | (-)-noradrenaline, L-NOREPINEPHRINE, noradrenaline, Zn2+, (-)-adrenaline | small-molecule | Yes | No | Liu X, Xu X, Hilger D, Aschauer P, Tiemann JKS, Du Y, Liu H, Hirata K, Sun X, Guixa-Gonzalez R, Mathiesen JM, Hildebrand PW, Kobilka BK | 10.1016/J.CELL.2019.04.021 | 2019-06-05 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 6GT3 | 6GT3_refined | 2.0 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
imaradenant
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | - | - | 2019-06-26 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 6N48 | 6N48_refined | 3.2 | A | Active | 100 | 70 | - | - | - | - | T4-Lysozyme | Camelid Antibody Fragment |
BI-167107
2-[[(3R)-4-(4-Tert-butylphenyl)-3-[[2-(4-methoxyphenyl)sulfanyl-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]butanoyl]amino]acetic acid |
small-molecule small-molecule |
Agonist PAM |
(-)-noradrenaline, L-NOREPINEPHRINE, noradrenaline, Zn2+, (-)-adrenaline | small-molecule | Yes | No | Liu X, Masoudi A, Kahsai AW, Huang LY, Pani B, Staus DP, Shim PJ, Hirata K, Simhal RK, Schwalb AM, Rambarat PK, Ahn S, Lefkowitz RJ, Kobilka B | 10.1126/SCIENCE.AAW8981 | 2019-06-26 | Yes | |
NTR1 | NTS1 | Neurotensin | A | Human | cryo-EM | 6OS9 | 6OS9_refined | 3.0 | R | Active | 100 | 73 | Gi/o | αi1 | - | 62 | - | scFv16 |
JMV449
|
peptide | Agonist | neurotensin, large neurotensin, large neuromedin N, neuromedin N | peptide | Yes | No | Kato HE, Zhang Y, Hu H, Suomivuori CM, Kadji FMN, Aoki J, Krishna Kumar K, Fonseca R, Hilger D, Huang W, Latorraca NR, Inoue A, Dror RO, Kobilka BK, Skiniotis G | 10.1038/S41586-019-1337-6 | 2019-07-10 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | cryo-EM | 6OY9 | 6OY9_refined | 3.9 | R | Active | 100 | 94 | Gi/o | αt1 | - | 64 | - | - |
Retinal (all-trans)
|
small-molecule | Agonist | - | - | No | No | Gao Y, Hu H, Ramachandran S, Erickson JW, Cerione RA, Skiniotis G | 10.1016/J.MOLCEL.2019.06.007 | 2019-07-24 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | cryo-EM | 6OFJ | 6OFJ_refined | 4.5 | A | Inactive | 22 | 93 | - | - | - | - | - | - |
Apo (no ligand)
|
none | Apo (no ligand) | - | - | No | No | Zhao DY, Poge M, Morizumi T, Gulati S, Van Eps N, Zhang J, Miszta P, Filipek S, Mahamid J, Plitzko JM, Baumeister W, Ernst OP, Palczewski K | 10.1074/JBC.RA119.010089 | 2019-08-21 | Yes | |
CLTR1 | CysLT1 | Leukotriene | A | Human | X-ray | 6RZ4 | 6RZ4_refined | 2.7 | A | Intermediate | 36 | 85 | - | - | - | - | BRIL | - |
pranlukast
|
small-molecule | Antagonist | LTE4, LTC4, LTD4 | small-molecule | Yes | Yes | Luginina A, Gusach A, Marin E, Mishin A, Brouillette R, Popov P, Shiriaeva A, Besserer-Offroy E, Longpre JM, Lyapina E, Ishchenko A, Patel N, Polovinkin V, Safronova N, Bogorodskiy A, Edelweiss E, Hu H, Weierstall U, Liu W, Batyuk A, Gordeliy V, Han GW, Sarret P, Katritch V, Borshchevskiy V, Cherezov V | 10.1126/SCIADV.AAX2518 | 2019-10-30 | Yes | |
GLP1R | GLP-1 | Glucagon | B1 | Human | X-ray | 6KK1 | 6KK1_refined | 2.8 | B | Inactive | 0 | 57 | - | - | - | - | T4-Lysozyme | - |
PF-06372222
|
small-molecule | NAM | glucagon, glucagon-like peptide 1-(7-37), glucagon-like peptide 1-(7-36) amide | peptide | No | No | Xu Y, Wang Y, Wang Y, Liu K, Peng Y, Yao D, Tao H, Liu H, Song G | 10.1107/S2052252519013496 | 2019-11-13 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 6PS1 | 6PS1_refined | 3.2 | A | Inactive | 0 | 68 | - | - | - | - | T4-Lysozyme | - |
timolol
|
small-molecule | Antagonist | (-)-noradrenaline, L-NOREPINEPHRINE, noradrenaline, Zn2+, (-)-adrenaline | small-molecule | Yes | No | Ishchenko A, Stauch B, Han GW, Batyuk A, Shiriaeva A, Li C, Zatsepin N, Weierstall U, Liu W, Nango E, Nakane T, Tanaka R, Tono K, Joti Y, Iwata S, Moraes I, Gati C, Cherezov V | 10.1107/S2052252519013137 | 2019-11-13 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 6PS5 | 6PS5_refined | 2.9 | A | Inactive | 0 | 68 | - | - | - | - | T4-Lysozyme | - |
propranolol
|
small-molecule | Antagonist | (-)-noradrenaline, L-NOREPINEPHRINE, noradrenaline, Zn2+, (-)-adrenaline | small-molecule | Yes | No | Ishchenko A, Stauch B, Han GW, Batyuk A, Shiriaeva A, Li C, Zatsepin N, Weierstall U, Liu W, Nango E, Nakane T, Tanaka R, Tono K, Joti Y, Iwata S, Moraes I, Gati C, Cherezov V | 10.1107/S2052252519013137 | 2019-11-13 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | cryo-EM | 6NI3 | 6NI3_refined | 3.8 | R | Active | 100 | 69 | Gs | αs | - | 59 | - | Nanobody-35 |
BI-167107
|
small-molecule | Agonist | (-)-noradrenaline, L-NOREPINEPHRINE, noradrenaline, Zn2+, (-)-adrenaline | small-molecule | Yes | No | Nguyen AH, Thomsen ARB, Cahill TJ 3rd, Huang R, Huang LY, Marcink T, Clarke OB, Heissel S, Masoudi A, Ben-Hail D, Samaan F, Dandey VP, Tan YZ, Hong C, Mahoney JP, Triest S, Little J 4th, Chen X, Sunahara R, Steyaert J, Molina H, Yu Z, des Georges A, Lefkowitz RJ | 10.1038/S41594-019-0330-Y | 2019-11-20 | Yes | |
ACM5 | M5 | Acetylcholine (muscarinic) | A | Human | X-ray | 6OL9 | 6OL9_refined | 2.5 | A | Inactive | 3 | 53 | - | - | - | - | T4-Lysozyme | - |
tiotropium
|
small-molecule | Inverse agonist | acetylcholine | small-molecule | No | No | Vuckovic Z, Gentry PR, Berizzi AE, Hirata K, Varghese S, Thompson G, van der Westhuizen ET, Burger WAC, Rahmani R, Valant C, Langmead CJ, Lindsley CW, Baell JB, Tobin AB, Sexton PM, Christopoulos A, Thal DM | 10.1073/PNAS.1914446116 | 2019-12-11 | Yes | |
CLTR2 | CysLT2 | Leukotriene | A | Human | X-ray | 6RZ7 | 6RZ7_refined | 2.4 | A | Intermediate | 36 | 79 | - | - | - | - | BRIL | - |
ONO-2570366
|
small-molecule | Antagonist | LTE4, LTC4, LTD4 | small-molecule | No | No | Gusach A, Luginina A, Marin E, Brouillette RL, Besserer-Offroy E, Longpre JM, Ishchenko A, Popov P, Patel N, Fujimoto T, Maruyama T, Stauch B, Ergasheva M, Romanovskaia D, Stepko A, Kovalev K, Shevtsov M, Gordeliy V, Han GW, Katritch V, Borshchevskiy V, Sarret P, Mishin A, Cherezov V | 10.1038/S41467-019-13348-2 | 2019-12-11 | Yes | |
OX1R | OX1 | Orexin | A | Human | X-ray | 6TOD | - | 2.1 | A | Inactive | 1 | 71 | - | - | - | - | - | - |
EMPA
|
small-molecule | Antagonist | orexin-A, orexin-B | peptide | No | No | Rappas M, Ali AAE, Bennett KA, Brown JD, Bucknell SJ, Congreve M, Cooke RM, Cseke G, de Graaf C, Doré AS, Errey JC, Jazayeri A, Marshall FH, Mason JS, Mould R, Patel JC, Tehan BG, Weir M, Christopher JA. | 10.1021/acs.jmedchem.9b01787 | 2020-01-01 | Yes | |
OX2R | OX2 | Orexin | A | Human | X-ray | 6TPG | 6TPG_refined | 2.7 | A | Inactive | 1 | 69 | - | - | - | - | GlgA glycogen synthase | - |
EMPA
|
small-molecule | Antagonist | orexin-A, orexin-B | peptide | No | No | Rappas M, Ali AAE, Bennett KA, Brown JD, Bucknell SJ, Congreve M, Cooke RM, Cseke G, de Graaf C, Doré AS, Errey JC, Jazayeri A, Marshall FH, Mason JS, Mould R, Patel JC, Tehan BG, Weir M, Christopher JA. | 10.1021/acs.jmedchem.9b01787 | 2020-01-01 | Yes | |
OX1R | OX1 | Orexin | A | Human | X-ray | 6TQ4 | 6TQ4_refined | 2.3 | B | Inactive | 1 | 70 | - | - | - | - | - | - |
CHEMBL4590386
|
small-molecule | Antagonist | orexin-A, orexin-B | peptide | No | No | Rappas M, Ali AAE, Bennett KA, Brown JD, Bucknell SJ, Congreve M, Cooke RM, Cseke G, de Graaf C, Doré AS, Errey JC, Jazayeri A, Marshall FH, Mason JS, Mould R, Patel JC, Tehan BG, Weir M, Christopher JA. | 10.1021/acs.jmedchem.9b01787 | 2020-01-01 | Yes | |
GLP1R | GLP-1 | Glucagon | B1 | Human | cryo-EM | 6ORV | - | 3.0 | E | Active | 100 | 61 | Gs | αs | - | 48 | - | Nanobody-35 |
CHEMBL3950796
|
small-molecule | Agonist | glucagon, glucagon-like peptide 1-(7-37), glucagon-like peptide 1-(7-36) amide | peptide | No | No | Zhao P, Liang YL, Belousoff MJ, Deganutti G, Fletcher MM, Willard FS, Bell MG, Christe ME, Sloop KW, Inoue A, Truong TT, Clydesdale L, Furness SGB, Christopoulos A, Wang MW, Miller LJ, Reynolds CA, Danev R, Sexton PM, Wootten D | 10.1038/s41586-019-1902-z | 2020-01-08 | Yes | |
APJ | apelin | Apelin | A | Human | X-ray | 6KNM | 6KNM_refined | 3.2 | B | Inactive | 5 | 78 | - | - | - | - | Rubredoxin | - |
Single domain antibody JN241
|
protein | Agonist | apelin-36, Elabela/Toddler-21, apelin-13, Elabela/Toddler-32, apelin-17, [Pyr1]apelin-13, apelin receptor early endogenous ligand, Elabela/Toddler-11 | peptide | Yes | No | Ma Y, Ding Y, Song X, Ma X, Li X, Zhang N, Song Y, Sun Y, Shen Y, Zhong W, Hu LA, Ma Y, Zhang MY | 10.1126/SCIADV.AAX7379 | 2020-01-29 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 6NWE | 6NWE_refined | 2.7 | A | Active | 100 | 94 | Gi/o | αt1 | Only H5 | 3 | - | - |
B-Octylglucoside
|
small-molecule | unknown | - | - | No | No | - | - | 2020-02-12 | Yes | |
CRFR2 | CRF2 | Corticotropin-releasing factor | B1 | Human | cryo-EM | 6PB1 | 6PB1_refined | 2.8 | P | Active | 100 | 68 | Gs | αs | - | 58 | - | Nanobody-35 |
CHEMBL427807
|
protein | Agonist | urocortin 2, corticotrophin-releasing hormone, urocortin 1, urocortin 3 | peptide | No | No | Ma S, Shen Q, Zhao LH, Mao C, Zhou XE, Shen DD, de Waal PW, Bi P, Li C, Jiang Y, Wang MW, Sexton PM, Wootten D, Melcher K, Zhang Y, Xu HE | 10.1016/J.MOLCEL.2020.01.013 | 2020-02-12 | Yes | |
GPR52 | GPR52 | A orphans | A | Human | X-ray | 6LI1 | 6LI1_refined | 2.9 | A | Inactive | 32 | 81 | - | - | - | - | Flavodoxin | - |
Apo (no ligand)
|
none | Apo (no ligand) | - | - | Yes | No | Lin X, Li M, Wang N, Wu Y, Luo Z, Guo S, Han GW, Li S, Yue Y, Wei X, Xie X, Chen Y, Zhao S, Wu J, Lei M, Xu F | 10.1038/S41586-020-2019-0 | 2020-02-26 | Yes | |
ACM2 | M2 | Acetylcholine (muscarinic) | A | Human | cryo-EM | 6U1N | 6U1N_refined | 4.0 | R | Active | 100 | 57 | Beta | Beta-arrestin-1 | - | 86 | - | Fab30 light chain Fab30 heavy chain |
LY2119620
|
small-molecule | Agonist | acetylcholine | small-molecule | Yes | No | Staus DP, Hu H, Robertson MJ, Kleinhenz ALW, Wingler LM, Capel WD, Latorraca NR, Lefkowitz RJ, Skiniotis G | 10.1038/S41586-020-1954-0 | 2020-02-26 | Yes | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 2Y02 | 2Y02_refined | 2.6 | B | Inactive | 0 | 62 | - | - | - | - | - | - |
CARMOTEROL
|
small-molecule | Agonist | - | - | Yes | No | Warne T, Moukhametzianov R, Baker JG, Nehme R, Edwards PC, Leslie AG, Schertler GF, Tate CG | 10.1038/NATURE09746 | 2011-01-12 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 3OAX | - | 2.6 | A | Inactive | 22 | 100 | - | - | - | - | - | - |
Retinal (11-cis)
|
small-molecule | Inverse agonist | - | - | No | No | Makino CL, Riley CK, Looney J, Crouch RK, Okada T | 10.1016/J.BPJ.2010.08.003 | 2011-01-19 | No | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 3QAK | 3QAK_refined | 2.7 | A | Active | 73 | 69 | - | - | - | - | T4-Lysozyme | - |
UK-432,097
|
small-molecule | Agonist | adenosine | small-molecule | Yes | No | Xu F, Wu H, Katritch V, Han GW, Jacobson KA, Gao ZG, Cherezov V, Stevens RC | 10.1126/SCIENCE.1202793 | 2011-03-09 | Yes | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 2YCW | 2YCW_refined | 3.0 | A | Inactive | 0 | 61 | - | - | - | - | - | - |
Carazolol
|
small-molecule | Antagonist | - | - | Yes | No | Moukhametzianov R, Warne T, Edwards PC, Serrano-Vega MJ, Leslie AG, Tate CG, Schertler GF | 10.1073/PNAS.1100185108 | 2011-06-01 | Yes | |
HRH1 | H1 | Histamine | A | Human | X-ray | 3RZE | 3RZE_refined | 3.1 | A | Inactive | 3 | 55 | - | - | - | - | T4-Lysozyme | - |
doxepin
|
small-molecule | Antagonist | histamine | small-molecule | Yes | No | Shimamura T, Shiroishi M, Weyand S, Tsujimoto H, Winter G, Katritch V, Abagyan R, Cherezov V, Liu W, Han GW, Kobayashi T, Stevens RC, Iwata S | 10.1038/NATURE10236 | 2011-06-15 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 3PWH | - | 3.3 | A | Inactive | 1 | 71 | - | - | - | - | - | - |
ZM-241385
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Dore AS, Robertson N, Errey JC, Ng I, Hollenstein K, Tehan B, Hurrell E, Bennett K, Congreve M, Magnani F, Tate CG, Weir M, Marshall FH | 10.1016/J.STR.2011.06.014 | 2011-09-07 | No | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 4A4M | 4A4M_refined | 3.3 | A | Active | 100 | 94 | Gi/o | αt1 | Only H5 | 3 | - | - |
Retinal (all-trans)
|
small-molecule | Agonist | - | - | No | No | Deupi X, Edwards P, Singhal A, Nickle B, Oprian D, Schertler G, Standfuss J | 10.1073/PNAS.1114089108 | 2012-01-25 | Yes | |
S1PR1 | S1P1 | Lysophospholipid (S1P) | A | Human | X-ray | 3V2W | - | 3.4 | A | Inactive | 1 | 68 | - | - | - | - | T4-Lysozyme | - |
W146
|
small-molecule | Antagonist | sphingosine 1-phosphate, dihydrosphingosine 1-phosphate, sphingosylphosphorylcholine | small-molecule | Yes | No | Hanson MA, Roth CB, Jo E, Griffith MT, Scott FL, Reinhart G, Desale H, Clemons B, Cahalan SM, Schuerer SC, Sanna MG, Han GW, Kuhn P, Rosen H, Stevens RC | 10.1126/SCIENCE.1215904 | 2012-02-15 | No | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 3UZC | 3UZC_refined | 3.3 | A | Inactive | 1 | 71 | - | - | - | - | - | - |
CHEMBL2024114
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Congreve M, Andrews SP, Doré AS, Hollenstein K, Hurrell E, Langmead CJ, Mason JS, Ng IW, Tehan B, Zhukov A, Weir M, Marshall FH. | 10.1021/jm201376w | 2012-03-21 | Yes | |
OPRX | NOP | Opioid | A | Human | X-ray | 4EA3 | 4EA3_refined | 3.0 | A | Inactive | 5 | 75 | - | - | - | - | BRIL | - |
compound 24 [PMID: 16451050]
|
small-molecule | Antagonist | nociceptin/orphanin FQ | peptide | Yes | No | Thompson AA, Liu W, Chun E, Katritch V, Wu H, Vardy E, Huang XP, Trapella C, Guerrini R, Calo G, Roth BL, Cherezov V, Stevens RC | 10.1038/NATURE11085 | 2012-04-25 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 4EIY | 4EIY_refined | 1.8 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
ZM-241385
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | Liu W, Chun E, Thompson AA, Chubukov P, Xu F, Katritch V, Han GW, Roth CB, Heitman LH, IJzerman AP, Cherezov V, Stevens RC | 10.1126/SCIENCE.1219218 | 2012-07-25 | Yes | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 4GPO | 4GPO_refined | 3.5 | B | Inactive | 0 | 58 | - | - | - | - | - | - |
Apo (no ligand)
|
none | Apo (no ligand) | - | - | Yes | No | Huang J, Chen S, Zhang JJ, Huang XY | 10.1038/NSMB.2504 | 2013-02-27 | Yes | |
5HT2B | 5-HT2B | 5-Hydroxytryptamine | A | Human | X-ray | 4IB4 | 4IB4_refined | 2.7 | A | Intermediate | 36 | 59 | - | - | - | - | BRIL | - |
ergotamine
|
small-molecule | Agonist | 5-hydroxytryptamine | small-molecule | Yes | No | Wacker D, Wang C, Katritch V, Han GW, Huang XP, Vardy E, McCorvy JD, Jiang Y, Chu M, Siu FY, Liu W, Xu HE, Cherezov V, Roth BL, Stevens RC | 10.1126/science.1232808 | 2013-03-13 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 4BEY | 4BEY_refined | 2.9 | A | Active | 100 | 94 | Gi/o | αt1 | Only H5 | 3 | - | - |
Apo (no ligand)
|
none | Apo (no ligand) | - | - | No | No | Singhal A, Ostermaier MK, Vishnivetskiy SA, Panneels V, Homan KT, Tesmer JJ, Veprintsev D, Deupi X, Gurevich VV, Schertler GF, Standfuss J | 10.1038/EMBOR.2013.44 | 2013-05-08 | Yes | |
CCR5 | CCR5 | Chemokine | A | Human | X-ray | 4MBS | 4MBS_refined | 2.7 | A | Inactive | 12 | 83 | - | - | - | - | Rubredoxin | - |
maraviroc
|
small-molecule | Antagonist | CCL8, CCL4, CCL11, CCL7, CCL14, CCL2, CCL3, CCL16, CCL5, CCL13 | peptide | No | No | Tan Q, Zhu Y, Li J, Chen Z, Han GW, Kufareva I, Li T, Ma L, Fenalti G, Li J, Zhang W, Xie X, Yang H, Jiang H, Cherezov V, Liu H, Stevens RC, Zhao Q, Wu B | 10.1126/SCIENCE.1241475 | 2013-09-11 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 4J4Q | 4J4Q_refined | 2.7 | A | Active | 100 | 94 | Gi/o | αt1 | Only H5 | 3 | - | - |
B-Octylglucoside
|
small-molecule | unknown | - | - | No | No | Park JH, Morizumi T, Li Y, Hong JE, Pai EF, Hofmann KP, Choe HW, Ernst OP | 10.1002/ANIE.201302374 | 2013-10-30 | Yes | |
5HT2B | 5-HT2B | 5-Hydroxytryptamine | A | Human | X-ray | 4NC3 | 4NC3_refined | 2.8 | A | Intermediate | 36 | 60 | - | - | - | - | BRIL | - |
ergotamine
|
small-molecule | Agonist | 5-hydroxytryptamine | small-molecule | Yes | No | Liu W, Wacker D, Gati C, Han GW, James D, Wang D, Nelson G, Weierstall U, Katritch V, Barty A, Zatsepin NA, Li D, Messerschmidt M, Boutet S, Williams GJ, Koglin JE, Seibert MM, Wang C, Shah ST, Basu S, Fromme R, Kupitz C, Rendek KN, Grotjohann I, Fromme P, Kirian RA, Beyerlein KR, White TA, Chapman HN, Caffrey M, Spence JC, Stevens RC, Cherezov V | 10.1126/SCIENCE.1244142 | 2013-12-18 | Yes | |
NTR1 | NTS1 | Neurotensin | A | Rat | X-ray | 4BV0 | - | 3.1 | A | Inactive | 2 | 70 | - | - | - | - | - | - |
neurotensin
|
peptide | Agonist | neurotensin, neuromedin N | peptide | Yes | No | Egloff P, Hillenbrand M, Klenk C, Batyuk A, Heine P, Balada S, Schlinkmann KM, Scott DJ, Schutz M, Pluckthun A | 10.1073/PNAS.1317903111 | 2014-01-29 | No | |
P2Y12 | P2Y12 | P2Y | A | Human | X-ray | 4NTJ | 4NTJ_refined | 2.6 | A | Intermediate | 36 | 78 | - | - | - | - | BRIL | - |
AZD1283
|
small-molecule | Antagonist | ADP, ATP | small-molecule | Yes | No | Zhang K, Zhang J, Gao ZG, Zhang D, Zhu L, Han GW, Moss SM, Paoletta S, Kiselev E, Lu W, Fenalti G, Zhang W, Muller CE, Yang H, Jiang H, Cherezov V, Katritch V, Jacobson KA, Stevens RC, Wu B, Zhao Q | 10.1038/NATURE13083 | 2014-03-26 | Yes | |
GRM5 | mGlu5 | Metabotropic glutamate | C | Human | X-ray | 4OO9 | 4OO9_refined | 2.6 | A | Inactive | 20 | 20 | - | - | - | - | T4-Lysozyme | - |
MAVOGLURANT
|
small-molecule | NAM | L-glutamic acid | small-molecule | No | No | Dore AS, Okrasa K, Patel JC, Serrano-Vega M, Bennett K, Cooke RM, Errey JC, Jazayeri A, Khan S, Tehan B, Weir M, Wiggin GR, Marshall FH | 10.1038/NATURE13396 | 2014-07-02 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 4QKX | 4QKX_refined | 3.3 | A | Active | 100 | 69 | - | - | - | - | T4-Lysozyme | Nanobody |
Q27453560
|
small-molecule | Agonist | (-)-noradrenaline, L-NOREPINEPHRINE, noradrenaline, Zn2+, (-)-adrenaline | small-molecule | Yes | No | Weichert D, Kruse AC, Manglik A, Hiller C, Zhang C, Hubner H, Kobilka BK, Gmeiner P | 10.1073/PNAS.1410415111 | 2014-07-23 | Yes | |
OPRD | δ | Opioid | A | Human | X-ray | 4RWA | 4RWA_refined | 3.3 | A | Inactive | 5 | 77 | - | - | - | - | BRIL | - |
DIPP-NH2
|
peptide | Antagonist | [Leu]enkephalin, β-endorphin, dynorphin A-(1-8), dynorphin A-(1-13), endomorphin-1, dynorphin B, dynorphin A | peptide | Yes | No | Fenalti G, Zatsepin NA, Betti C, Giguere P, Han GW, Ishchenko A, Liu W, Guillemyn K, Zhang H, James D, Wang D, Weierstall U, Spence JC, Boutet S, Messerschmidt M, Williams GJ, Gati C, Yefanov OM, White TA, Oberthuer D, Metz M, Yoon CH, Barty A, Chapman HN, Basu S, Coe J, Conrad CE, Fromme R, Fromme P, Tourwe D, Schiller PW, Roth BL, Ballet S, Katritch V, Stevens RC, Cherezov V | 10.1038/NSMB.2965 | 2015-01-14 | Yes | |
US28 | US28 | Unclassified | A | strain AD169 | X-ray | 4XT1 | - | 2.9 | A | Active | 99 | 82 | - | - | - | - | - | Nanobody |
CX3CL1
|
peptide | Agonist (partial) | - | - | Yes | No | Burg JS, Ingram JR, Venkatakrishnan AJ, Jude KM, Dukkipati A, Feinberg EN, Angelini A, Waghray D, Dror RO, Ploegh HL, Garcia KC | 10.1126/SCIENCE.AAA5026 | 2015-03-04 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 4UHR | 4UHR_refined | 2.6 | A | Active | 73 | 75 | - | - | - | - | - | - |
CGS 21680
|
small-molecule | Agonist | adenosine | small-molecule | Yes | No | Lebon G, Edwards PC, Leslie AG, Tate CG | 10.1124/mol.114.097360 | 2015-04-08 | Yes | |
LPAR1 | LPA1 | Lysophospholipid (LPA) | A | Human | X-ray | 4Z35 | 4Z35_refined | 2.9 | A | Inactive | 1 | 80 | - | - | - | - | BRIL | - |
ONO-9910539
|
small-molecule | Antagonist | 1-O-Oleoyl-D-glycerol 3-phosphoric acid | small-molecule | Yes | No | Chrencik JE, Roth CB, Terakado M, Kurata H, Omi R, Kihara Y, Warshaviak D, Nakade S, Asmar-Rovira G, Mileni M, Mizuno H, Griffith MT, Rodgers C, Han GW, Velasquez J, Chun J, Stevens RC, Hanson MA | 10.1016/J.CELL.2015.06.002 | 2015-06-03 | Yes | |
NTR1 | NTS1 | Neurotensin | A | Rat | X-ray | 4XES | 4XES_refined | 2.6 | A | Active | 83 | 72 | - | - | - | - | T4-Lysozyme | - |
neurotensin
|
peptide | Agonist | neurotensin, neuromedin N | peptide | Yes | No | Krumm BE, White JF, Shah P, Grisshammer R | 10.1038/NCOMMS8895 | 2015-07-29 | Yes | |
GRM5 | mGlu5 | Metabotropic glutamate | C | Human | X-ray | 5CGD | 5CGD_refined | 2.6 | A | Inactive | 20 | 20 | - | - | - | - | T4-Lysozyme | - |
CHEMBL3603923
|
small-molecule | NAM | L-glutamic acid | small-molecule | No | No | Christopher JA, Aves SJ, Bennett KA, Doré AS, Errey JC, Jazayeri A, Marshall FH, Okrasa K, Serrano-Vega MJ, Tehan BG, Wiggin GR, Congreve M. | 10.1021/acs.jmedchem.5b00892 | 2015-08-12 | Yes | |
OPRX | NOP | Opioid | A | Human | X-ray | 5DHG | 5DHG_refined | 3.0 | A | Inactive | 5 | 76 | - | - | - | - | BRIL | - |
CHEMBL1783826
|
small-molecule | Antagonist | nociceptin/orphanin FQ | peptide | Yes | No | Miller RL, Thompson AA, Trapella C, Guerrini R, Malfacini D, Patel N, Han GW, Cherezov V, Calo G, Katritch V, Stevens RC | 10.1016/J.STR.2015.07.024 | 2015-10-21 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 5D5A | 5D5A_refined | 2.5 | A | Inactive | 0 | 68 | - | - | - | - | T4-Lysozyme | - |
Carazolol
|
small-molecule | Inverse agonist | (-)-noradrenaline, L-NOREPINEPHRINE, noradrenaline, Zn2+, (-)-adrenaline | small-molecule | Yes | No | Huang CY, Olieric V, Ma P, Howe N, Vogeley L, Liu X, Warshamanage R, Weinert T, Panepucci E, Kobilka B, Diederichs K, Wang M, Caffrey M | 10.1107/S2059798315021683 | 2016-01-13 | Yes | |
ACM4 | M4 | Acetylcholine (muscarinic) | A | Human | X-ray | 5DSG | 5DSG_refined | 2.6 | B | Inactive | 3 | 60 | - | - | - | - | T4-Lysozyme | - |
tiotropium
|
small-molecule | Antagonist | acetylcholine | small-molecule | Yes | No | Thal DM, Sun B, Feng D, Nawaratne V, Leach K, Felder CC, Bures MG, Evans DA, Weis WI, Bachhawat P, Kobilka TS, Sexton PM, Kobilka BK, Christopoulos A | 10.1038/NATURE17188 | 2016-03-16 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5IU4 | 5IU4_refined | 1.7 | A | Inactive | 1 | 71 | - | - | - | - | BRIL | - |
ZM-241385
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | Segala E, Guo D, Cheng RK, Bortolato A, Deflorian F, Doré AS, Errey JC, Heitman LH, IJzerman AP, Marshall FH, Cooke RM. | 10.1021/acs.jmedchem.6b00653 | 2016-06-29 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5IUA | 5IUA_refined | 2.2 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
2-(Furan-2-yl)-5-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-8-ium-5,7-diamine
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | Segala E, Guo D, Cheng RK, Bortolato A, Deflorian F, Doré AS, Errey JC, Heitman LH, IJzerman AP, Marshall FH, Cooke RM. | 10.1021/acs.jmedchem.6b00653 | 2016-06-29 | Yes | |
SMO | SMO | Frizzled | F | Human | X-ray | 5L7I | 5L7I_refined | 3.3 | B | Inactive | 4 | 59 | - | - | - | - | BRIL | - |
vismodegib
|
small-molecule | Antagonist | - | - | No | No | Byrne EFX, Sircar R, Miller PS, Hedger G, Luchetti G, Nachtergaele S, Tully MD, Mydock-McGrane L, Covey DF, Rambo RP, Sansom MSP, Newstead S, Rohatgi R, Siebold C | 10.1038/NATURE18934 | 2016-07-20 | Yes | |
EDNRB | ETB | Endothelin | A | Human | X-ray | 5GLI | 5GLI_refined | 2.5 | A | Inactive | 4 | 71 | - | - | - | - | T4-Lysozyme | - |
Apo (no ligand)
|
none | Apo (no ligand) | endothelin-3, endothelin-2, endothelin-1 | peptide | Yes | No | Shihoya W, Nishizawa T, Okuta A, Tani K, Dohmae N, Fujiyoshi Y, Nureki O, Doi T | 10.1038/nature19319 | 2016-09-07 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5K2B | 5K2B_refined | 2.5 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
ZM-241385
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | Batyuk A, Galli L, Ishchenko A, Han GW, Gati C, Popov PA, Lee MY, Stauch B, White TA, Barty A, Aquila A, Hunter MS, Liang M, Boutet S, Pu M, Liu ZJ, Nelson G, James D, Li C, Zhao Y, Spence JC, Liu W, Fromme P, Katritch V, Weierstall U, Stevens RC, Cherezov V | 10.1126/SCIADV.1600292 | 2016-09-21 | Yes | |
CCR9 | CCR9 | Chemokine | A | Human | X-ray | 5LWE | - | 2.8 | B | Inactive | 52 | 67 | - | - | - | - | - | - |
vercirnon
|
small-molecule | Allosteric antagonist | CCL25 | peptide | No | No | Oswald C, Rappas M, Kean J, Dore AS, Errey JC, Bennett K, Deflorian F, Christopher JA, Jazayeri A, Mason JS, Congreve M, Cooke RM, Marshall FH | 10.1038/NATURE20606 | 2016-12-07 | Yes | |
5HT2B | 5-HT2B | 5-Hydroxytryptamine | A | Human | X-ray | 5TVN | 5TVN_refined | 2.9 | A | Intermediate | 36 | 61 | - | - | - | - | BRIL | - |
Lysergide
|
small-molecule | Agonist | 5-hydroxytryptamine | small-molecule | Yes | No | Wacker D, Wang S, McCorvy JD, Betz RM, Venkatakrishnan AJ, Levit A, Lansu K, Schools ZL, Che T, Nichols DE, Shoichet BK, Dror RO, Roth BL | 10.1016/J.CELL.2016.12.033 | 2017-02-01 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 5TE3 | 5TE3_refined | 2.7 | A | Active | 99 | 94 | - | - | - | - | - | - |
B-Octylglucoside
|
small-molecule | unknown | - | - | No | No | Gulati S, Jastrzebska B, Banerjee S, Placeres AL, Miszta P, Gao S, Gunderson K, Tochtrop GP, Filipek S, Katayama K, Kiser PD, Mogi M, Stewart PL, Palczewski K | 10.1073/PNAS.1617446114 | 2017-03-15 | Yes | |
PAR2 | PAR2 | Proteinase-activated | A | Human | X-ray | 5NDD | 5NDD_refined | 2.8 | A | Intermediate | 36 | 74 | - | - | - | - | BRIL | - |
AZ8838
|
small-molecule | Antagonist | - | - | Yes | Yes | Cheng RKY, Fiez-Vandal C, Schlenker O, Edman K, Aggeler B, Brown DG, Brown GA, Cooke RM, Dumelin CE, Dore AS, Geschwindner S, Grebner C, Hermansson NO, Jazayeri A, Johansson P, Leong L, Prihandoko R, Rappas M, Soutter H, Snijder A, Sundstrom L, Tehan B, Thornton P, Troast D, Wiggin G, Zhukov A, Marshall FH, Dekker N | 10.1038/NATURE22309 | 2017-05-03 | Yes | |
CALCR | CT | Calcitonin | B1 | Human | cryo-EM | 5UZ7 | 5UZ7_refined | 4.1 | R | Active | 100 | 56 | Gs | αs | - | 47 | - | - | - | - | - | adrenomedullin, α-CGRP, calcitonin (salmon), adrenomedullin 2/intermedin, amylin, calcitonin, β-CGRP | peptide | No | No | Liang YL, Khoshouei M, Radjainia M, Zhang Y, Glukhova A, Tarrasch J, Thal DM, Furness SGB, Christopoulos G, Coudrat T, Danev R, Baumeister W, Miller LJ, Christopoulos A, Kobilka BK, Wootten D, Skiniotis G, Sexton PM | 10.1038/NATURE22327 | 2017-05-03 | Yes | |
GLP1R | GLP-1 | Glucagon | B1 | Human | X-ray | 5VEW | 5VEW_refined | 2.7 | A | Inactive | 0 | 57 | - | - | - | - | T4-Lysozyme | - |
PF-06372222
|
small-molecule | NAM | glucagon, glucagon-like peptide 1-(7-37), glucagon-like peptide 1-(7-36) amide | peptide | No | No | Song G, Yang D, Wang Y, de Graaf C, Zhou Q, Jiang S, Liu K, Cai X, Dai A, Lin G, Liu D, Wu F, Wu Y, Zhao S, Ye L, Han GW, Lau J, Wu B, Hanson MA, Liu ZJ, Wang MW, Stevens RC | 10.1038/NATURE22378 | 2017-05-24 | Yes | |
GLR | glucagon | Glucagon | B1 | Human | X-ray | 5XF1 | 5XF1_refined | 3.2 | B | Inactive | 0 | 81 | - | - | - | - | T4-Lysozyme | Antibody |
NNC0640
|
small-molecule | NAM | glucagon | peptide | No | No | Zhang H, Qiao A, Yang D, Yang L, Dai A, de Graaf C, Reedtz-Runge S, Dharmarajan V, Zhang H, Han GW, Grant TD, Sierra RG, Weierstall U, Nelson G, Liu W, Wu Y, Ma L, Cai X, Lin G, Wu X, Geng Z, Dong Y, Song G, Griffin PR, Lau J, Cherezov V, Yang H, Hanson MA, Stevens RC, Zhao Q, Jiang H, Wang MW, Wu B | 10.1038/NATURE22363 | 2017-05-24 | Yes | |
GLP1R | GLP-1 | Glucagon | B1 | Human | X-ray | 5NX2 | - | 3.7 | A | Intermediate | 31 | 84 | - | - | - | - | - | - |
Truncated protein agonist
|
peptide | Agonist | glucagon, glucagon-like peptide 1-(7-37), glucagon-like peptide 1-(7-36) amide | peptide | No | No | Jazayeri A, Rappas M, Brown AJH, Kean J, Errey JC, Robertson NJ, Fiez-Vandal C, Andrews SP, Congreve M, Bortolato A, Mason JS, Baig AH, Teobald I, Dore AS, Weir M, Cooke RM, Marshall FH | 10.1038/NATURE22800 | 2017-06-14 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5MZJ | 5MZJ_refined | 2.0 | A | Inactive | 1 | 71 | - | - | - | - | BRIL | - |
theophylline
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | Cheng RKY, Segala E, Robertson N, Deflorian F, Dore AS, Errey JC, Fiez-Vandal C, Marshall FH, Cooke RM | 10.1016/j.str.2017.06.012 | 2017-07-26 | Yes | |
5HT2B | 5-HT2B | 5-Hydroxytryptamine | A | Human | X-ray | 5TUD | 5TUD_refined | 3.0 | D | Active | 92 | 58 | - | - | - | - | BRIL | Antibody |
ergotamine
|
small-molecule | Agonist | 5-hydroxytryptamine | small-molecule | Yes | No | Ishchenko A, Wacker D, Kapoor M, Zhang A, Han GW, Basu S, Patel N, Messerschmidt M, Weierstall U, Liu W, Katritch V, Roth BL, Stevens RC, Cherezov V | 10.1073/PNAS.1700891114 | 2017-07-26 | Yes | |
EDNRB | ETB | Endothelin | A | Human | X-ray | 5XPR | 5XPR_refined | 3.6 | A | Inactive | 4 | 69 | - | - | - | - | T4-Lysozyme | - |
Apo (no ligand)
|
none | Apo (no ligand) | endothelin-3, endothelin-2, endothelin-1 | peptide | Yes | No | Shihoya W, Nishizawa T, Yamashita K, Inoue A, Hirata K, Kadji FMN, Okuta A, Tani K, Aoki J, Fujiyoshi Y, Doi T, Nureki O | 10.1038/NSMB.3450 | 2017-08-16 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5NM2 | 5NM2_refined | 2.0 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
ZM-241385
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | Weinert T, Olieric N, Cheng R, Brunle S, James D, Ozerov D, Gashi D, Vera L, Marsh M, Jaeger K, Dworkowski F, Panepucci E, Basu S, Skopintsev P, Dore AS, Geng T, Cooke RM, Liang M, Prota AE, Panneels V, Nogly P, Ermler U, Schertler G, Hennig M, Steinmetz MO, Wang M, Standfuss J | 10.1038/S41467-017-00630-4 | 2017-09-27 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 5WKT | 5WKT_refined | 3.2 | A | Active | 100 | 94 | Gi/o | αt1 | Only H5 | 3 | - | - |
B-Octylglucoside
|
small-molecule | unknown | - | - | No | No | Broecker J, Morizumi T, Ou WL, Klingel V, Kuo A, Kissick DJ, Ishchenko A, Lee MY, Xu S, Makarov O, Cherezov V, Ogata CM, Ernst OP | 10.1038/NPROT.2017.135 | 2017-12-13 | Yes | |
C5AR1 | C5a1 | Complement peptide | A | Human | X-ray | 5O9H | 5O9H_refined | 2.7 | A | Inactive | 6 | 84 | - | - | - | - | - | - |
NDT9513727
|
small-molecule | Antagonist | C5a des-Arg, C3a, ribosomal protein S19, C5a | peptide | Yes | No | Robertson N, Rappas M, Dore AS, Brown J, Bottegoni G, Koglin M, Cansfield J, Jazayeri A, Cooke RM, Marshall FH | 10.1038/NATURE25025 | 2018-01-10 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5OLO | 5OLO_refined | 3.1 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
tozadenant
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Rucktooa P, Cheng RKY, Segala E, Geng T, Errey JC, Brown GA, Cooke RM, Marshall FH, Dore AS | 10.1038/S41598-017-18570-W | 2018-01-17 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5OM4 | 5OM4_refined | 2.0 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
CHEMBL2024114
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | Rucktooa P, Cheng RKY, Segala E, Geng T, Errey JC, Brown GA, Cooke RM, Marshall FH, Dore AS | 10.1038/S41598-017-18570-W | 2018-01-17 | Yes | |
5HT2C | 5-HT2C | 5-Hydroxytryptamine | A | Human | X-ray | 6BQG | 6BQG_refined | 3.0 | A | Active | 92 | 62 | - | - | - | - | BRIL | - |
ergotamine
|
small-molecule | Agonist | 5-hydroxytryptamine | small-molecule | Yes | No | Peng Y, McCorvy JD, Harpsoe K, Lansu K, Yuan S, Popov P, Qu L, Pu M, Che T, Nikolajsen LF, Huang XP, Wu Y, Shen L, Bjorn-Yoshimoto WE, Ding K, Wacker D, Han GW, Cheng J, Katritch V, Jensen AA, Hanson MA, Zhao S, Gloriam DE, Roth BL, Stevens RC, Liu ZJ | 10.1016/j.cell.2018.01.001 | 2018-02-14 | Yes | |
GLP1R | GLP-1 | Glucagon | B1 | Human | cryo-EM | 6B3J | 6B3J_refined | 3.3 | R | Active | 100 | 82 | Gs | αs | - | 49 | - | - |
Exendin-P5
|
peptide | Agonist | glucagon, glucagon-like peptide 1-(7-37), glucagon-like peptide 1-(7-36) amide | peptide | No | No | Liang YL, Khoshouei M, Glukhova A, Furness SGB, Zhao P, Clydesdale L, Koole C, Truong TT, Thal DM, Lei S, Radjainia M, Danev R, Baumeister W, Wang MW, Miller LJ, Christopoulos A, Sexton PM, Wootten D | 10.1038/NATURE25773 | 2018-02-21 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 6FKB | 6FKB_refined | 3.0 | A | Active | 99 | 94 | - | - | - | - | - | - |
2-(4-Chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethanone
|
small-molecule | Agonist | - | - | No | No | Mattle D, Kuhn B, Aebi J, Bedoucha M, Kekilli D, Grozinger N, Alker A, Rudolph MG, Schmid G, Schertler GFX, Hennig M, Standfuss J, Dawson RJP | 10.1073/PNAS.1718084115 | 2018-04-04 | Yes | |
NPY1R | Y1 | Neuropeptide Y | A | Human | X-ray | 5ZBQ | 5ZBQ_refined | 2.7 | A | Inactive | 1 | 80 | - | - | - | - | T4-Lysozyme | - |
CHEMBL3747822
|
small-molecule | Antagonist | pancreatic polypeptide, peptide YY, neuropeptide Y | peptide | Yes | No | Yang Z, Han S, Keller M, Kaiser A, Bender BJ, Bosse M, Burkert K, Kogler LM, Wifling D, Bernhardt G, Plank N, Littmann T, Schmidt P, Yi C, Li B, Ye S, Zhang R, Xu B, Larhammar D, Stevens RC, Huster D, Meiler J, Zhao Q, Beck-Sickinger AG, Buschauer A, Wu B | 10.1038/S41586-018-0046-X | 2018-04-25 | Yes | |
Q98SW5 | SMO | Frizzled | F | African clawed frog | X-ray | 6D35 | 6D35_refined | 3.9 | A | Active | 87 | 58 | - | - | - | - | BRIL | - |
Cholesterol
|
small-molecule | Agonist | - | - | No | No | Huang P, Zheng S, Wierbowski BM, Kim Y, Nedelcu D, Aravena L, Liu J, Kruse AC, Salic A | 10.1016/J.CELL.2018.04.029 | 2018-05-23 | Yes | |
OPRM | μ | Opioid | A | Mouse | cryo-EM | 6DDE | 6DDE_refined | 3.5 | R | Active | 100 | 71 | Gi/o | αi1 | - | 61 | - | Antibody |
DAMGO
|
peptide | Agonist | - | - | Yes | No | Koehl A, Hu H, Maeda S, Zhang Y, Qu Q, Paggi JM, Latorraca NR, Hilger D, Dawson R, Matile H, Schertler GFX, Granier S, Weis WI, Dror RO, Manglik A, Skiniotis G, Kobilka BK | 10.1038/S41586-018-0219-7 | 2018-06-13 | Yes | |
OPSD | Rhodopsin | Opsins | A | Human | cryo-EM | 6CMO | 6CMO_refined | 4.5 | R | Active | 80 | 92 | Gi/o | αi1 | - | 100 | BRIL | Fab |
Apo (no ligand)
|
none | Apo (no ligand) | - | - | No | No | Kang Y, Kuybeda O, de Waal PW, Mukherjee S, Van Eps N, Dutka P, Zhou XE, Bartesaghi A, Erramilli S, Morizumi T, Gu X, Yin Y, Liu P, Jiang Y, Meng X, Zhao G, Melcher K, Ernst OP, Kossiakoff AA, Subramaniam S, Xu HE | 10.1038/S41586-018-0215-Y | 2018-06-20 | Yes | |
5HT2B | 5-HT2B | 5-Hydroxytryptamine | A | Human | X-ray | 6DRY | 6DRY_refined | 2.9 | A | Intermediate | 36 | 60 | - | - | - | - | BRIL | - |
methylergonovine
|
small-molecule | Agonist | 5-hydroxytryptamine | small-molecule | Yes | No | McCorvy JD, Wacker D, Wang S, Agegnehu B, Liu J, Lansu K, Tribo AR, Olsen RHJ, Che T, Jin J, Roth BL | 10.1038/s41594-018-0116-7 | 2018-08-29 | Yes | |
PD2R2 | DP2 | Prostanoid | A | Human | X-ray | 6D26 | 6D26_refined | 2.8 | A | Inactive | 19 | 82 | - | - | - | - | T4-Lysozyme | - |
fevipiprant
|
small-molecule | Antagonist | PGD3, PGD2, PGI2, PGE2, PGJ2, thromboxane A2, PGF2α | small-molecule | Yes | No | Wang L, Yao D, Deepak RNVK, Liu H, Xiao Q, Fan H, Gong W, Wei Z, Zhang C | 10.1016/J.MOLCEL.2018.08.009 | 2018-10-03 | Yes | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 6H7J | 6H7J_refined | 2.8 | A | Active | 100 | 60 | - | - | - | - | Thioredoxin 1 | Camelid antibody fragment Nb80 |
LEVISOPRENALINE
|
small-molecule | Agonist | - | - | Yes | No | Warne T, Edwards PC, Dore AS, Leslie AGW, Tate CG | 10.1126/SCIENCE.AAU5595 | 2018-10-17 | Yes | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 6H7N | 6H7N_refined | 2.5 | A | Active | 100 | 60 | - | - | - | - | Thioredoxin 1 | Camelid antibody fragment Nb6B9 |
(S)-Xamoterol
|
small-molecule | Agonist | - | - | Yes | No | - | 10.1101/436212 | 2018-10-17 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 6MXT | 6MXT_refined | 3.0 | A | Active | 100 | 69 | - | - | - | - | T4-Lysozyme | Nanobody-71 |
salmeterol
|
small-molecule | Agonist | (-)-noradrenaline, L-NOREPINEPHRINE, noradrenaline, Zn2+, (-)-adrenaline | small-molecule | Yes | No | Masureel M, Zou Y, Picard LP, van der Westhuizen E, Mahoney JP, Rodrigues JPGLM, Mildorf TJ, Dror RO, Shaw DE, Bouvier M, Pardon E, Steyaert J, Sunahara RK, Weis WI, Zhang C, Kobilka BK | 10.1038/s41589-018-0145-x | 2018-11-14 | Yes | |
PTH1R | PTH1 | Parathyroid hormone | B1 | Human | X-ray | 6FJ3 | - | 2.5 | A | Inactive | 0 | 62 | - | - | - | - | GlgA glycogen synthase | - |
ePTH
|
peptide | Agonist (partial) | PTHrP-(1-36), TIP39, PTH, PTHrP | peptide | No | No | Ehrenmann J, Schoppe J, Klenk C, Rappas M, Kummer L, Dore AS, Pluckthun A | 10.1038/S41594-018-0151-4 | 2018-11-21 | Yes | |
PE2R4 | EP4 | Prostanoid | A | Human | X-ray | 5YWY | 5YWY_refined | 3.2 | A | Inactive | 10 | 57 | - | - | - | - | - | Fab |
ONO-AE3-208
|
small-molecule | Antagonist | PGD2, PGI2, PGE1, PGE2, thromboxane A2, PGF2α | small-molecule | No | No | Toyoda Y, Morimoto K, Suno R, Horita S, Yamashita K, Hirata K, Sekiguchi Y, Yasuda S, Shiroishi M, Shimizu T, Urushibata Y, Kajiwara Y, Inazumi T, Hotta Y, Asada H, Nakane T, Shiimura Y, Nakagita T, Tsuge K, Yoshida S, Kuribara T, Hosoya T, Sugimoto Y, Nomura N, Sato M, Hirokawa T, Kinoshita M, Murata T, Takayama K, Yamamoto M, Narumiya S, Iwata S, Kobayashi T | 10.1038/S41589-018-0131-3 | 2018-12-05 | Yes | |
CCR5 | CCR5 | Chemokine | A | Human | cryo-EM | 6MEO | 6MEO_refined | 3.9 | B | Inactive | 12 | 89 | - | - | - | - | - | T-cell surface glycoprotein CD4 |
Envelope glycoprotein gp160
|
protein | Antagonist | CCL8, CCL4, CCL11, CCL7, CCL14, CCL2, CCL3, CCL16, CCL5, CCL13 | peptide | No | No | Shaik MM, Peng H, Lu J, Rits-Volloch S, Xu C, Liao M, Chen B | 10.1038/S41586-018-0804-9 | 2018-12-12 | Yes | |
B1B1U5 | Rhodopsin | Opsins | A | Hasarius adansoni | X-ray | 6I9K | - | 2.2 | A | Inactive | 13 | 83 | - | - | - | - | - | - |
Retinal (11-cis)
|
small-molecule | Inverse agonist | - | - | Yes | No | Varma N, Mutt E, Muhle J, Panneels V, Terakita A, Deupi X, Nogly P, Schertler GFX, Lesca E | 10.1073/PNAS.1902192116 | 2019-07-03 | Yes | |
NTR1 | NTS1 | Neurotensin | A | Human | cryo-EM | 6OSA | 6OSA_refined | 3.0 | R | Active | 100 | 77 | Gi/o | αi1 | Non-canonical conformation | 62 | - | - |
JMV449
|
peptide | Agonist | neurotensin, large neurotensin, large neuromedin N, neuromedin N | peptide | Yes | No | Kato HE, Zhang Y, Hu H, Suomivuori CM, Kadji FMN, Aoki J, Krishna Kumar K, Fonseca R, Hilger D, Huang W, Latorraca NR, Inoue A, Dror RO, Kobilka BK, Skiniotis G | 10.1038/S41586-019-1337-6 | 2019-07-10 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | cryo-EM | 6OYA | 6OYA_refined | 3.3 | R | Active | 100 | 94 | Gi/o | αt1 | - | 59 | - | Camelid antibody VHH fragment |
Retinal (all-trans)
|
small-molecule | Agonist | - | - | No | No | Gao Y, Hu H, Ramachandran S, Erickson JW, Cerione RA, Skiniotis G | 10.1016/J.MOLCEL.2019.06.007 | 2019-07-24 | Yes | |
CCR7 | CCR7 | Chemokine | A | Human | X-ray | 6QZH | 6QZH_refined | 2.1 | A | Inactive | 5 | 71 | - | - | - | - | Sialidase NanA | - |
SCHEMBL13407377
|
small-molecule | Allosteric antagonist | Ccl21b, CCL21, CCL19 | peptide | No | No | Jaeger K, Bruenle S, Weinert T, Guba W, Muehle J, Miyazaki T, Weber M, Furrer A, Haenggi N, Tetaz T, Huang CY, Mattle D, Vonach JM, Gast A, Kuglstatter A, Rudolph MG, Nogly P, Benz J, Dawson RJP, Standfuss J | 10.1016/J.CELL.2019.07.028 | 2019-09-04 | Yes | |
CLTR1 | CysLT1 | Leukotriene | A | Human | X-ray | 6RZ5 | 6RZ5_refined | 2.5 | B | Intermediate | 36 | 84 | - | - | - | - | BRIL | - |
zafirlukast
|
small-molecule | Antagonist | LTE4, LTC4, LTD4 | small-molecule | Yes | Yes | Luginina A, Gusach A, Marin E, Mishin A, Brouillette R, Popov P, Shiriaeva A, Besserer-Offroy E, Longpre JM, Lyapina E, Ishchenko A, Patel N, Polovinkin V, Safronova N, Bogorodskiy A, Edelweiss E, Hu H, Weierstall U, Liu W, Batyuk A, Gordeliy V, Han GW, Sarret P, Katritch V, Borshchevskiy V, Cherezov V | 10.1126/SCIADV.AAX2518 | 2019-10-30 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 6PRZ | 6PRZ_refined | 2.8 | A | Inactive | 0 | 68 | - | - | - | - | T4-Lysozyme | - |
CHEMBL1160734
|
small-molecule | Antagonist | (-)-noradrenaline, L-NOREPINEPHRINE, noradrenaline, Zn2+, (-)-adrenaline | small-molecule | Yes | No | Ishchenko A, Stauch B, Han GW, Batyuk A, Shiriaeva A, Li C, Zatsepin N, Weierstall U, Liu W, Nango E, Nakane T, Tanaka R, Tono K, Joti Y, Iwata S, Moraes I, Gati C, Cherezov V | 10.1107/S2052252519013137 | 2019-11-13 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 6PS3 | 6PS3_refined | 2.5 | A | Inactive | 0 | 68 | - | - | - | - | T4-Lysozyme | - |
CHEMBL3799125
|
small-molecule | Antagonist | (-)-noradrenaline, L-NOREPINEPHRINE, noradrenaline, Zn2+, (-)-adrenaline | small-molecule | Yes | No | Ishchenko A, Stauch B, Han GW, Batyuk A, Shiriaeva A, Li C, Zatsepin N, Weierstall U, Liu W, Nango E, Nakane T, Tanaka R, Tono K, Joti Y, Iwata S, Moraes I, Gati C, Cherezov V | 10.1107/S2052252519013137 | 2019-11-13 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 6PS7 | 6PS7_refined | 1.9 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
ZM-241385
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | Ishchenko A, Stauch B, Han GW, Batyuk A, Shiriaeva A, Li C, Zatsepin N, Weierstall U, Liu W, Nango E, Nakane T, Tanaka R, Tono K, Joti Y, Iwata S, Moraes I, Gati C, Cherezov V | 10.1107/S2052252519013137 | 2019-11-13 | Yes | |
ADA2C | α2C | Adrenoceptors | A | Human | X-ray | 6KUW | 6KUW_refined | 2.8 | A | Inactive | 1 | 60 | - | - | - | - | GlgA glycogen synthase | - |
(8Ar,12aS,13aR)-12-ethylsulfonyl-3-methoxy-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine
|
small-molecule | Antagonist | (-)-noradrenaline, (-)-adrenaline | small-molecule | Yes | No | - | - | 2019-12-04 | Yes | |
OPRD | δ | Opioid | A | Human | X-ray | 6PT2 | 6PT2_refined | 2.8 | A | Active | 73 | 78 | - | - | - | - | BRIL | - |
KGCHM07
|
peptide | Agonist | [Leu]enkephalin, β-endorphin, dynorphin A-(1-8), dynorphin A-(1-13), endomorphin-1, dynorphin B, dynorphin A | peptide | No | No | Claff T, Yu J, Blais V, Patel N, Martin C, Wu L, Han GW, Holleran BJ, Van der Poorten O, White KL, Hanson MA, Sarret P, Gendron L, Cherezov V, Katritch V, Ballet S, Liu ZJ, Muller CE, Stevens RC | 10.1126/SCIADV.AAX9115 | 2019-12-11 | Yes | |
CLTR2 | CysLT2 | Leukotriene | A | Human | X-ray | 6RZ9 | 6RZ9_refined | 2.7 | A | Intermediate | 36 | 81 | - | - | - | - | BRIL | - |
ONO-2770372
|
small-molecule | Antagonist | LTE4, LTC4, LTD4 | small-molecule | No | No | Gusach A, Luginina A, Marin E, Brouillette RL, Besserer-Offroy E, Longpre JM, Ishchenko A, Popov P, Patel N, Fujimoto T, Maruyama T, Stauch B, Ergasheva M, Romanovskaia D, Stepko A, Kovalev K, Shevtsov M, Gordeliy V, Han GW, Katritch V, Borshchevskiy V, Sarret P, Mishin A, Cherezov V | 10.1038/S41467-019-13348-2 | 2019-12-11 | Yes | |
OX1R | OX1 | Orexin | A | Human | X-ray | 6TP4 | - | 3.0 | A | Inactive | 1 | 70 | - | - | - | - | - | - |
ACT-462206
|
small-molecule | Antagonist | orexin-A, orexin-B | peptide | No | No | Rappas M, Ali AAE, Bennett KA, Brown JD, Bucknell SJ, Congreve M, Cooke RM, Cseke G, de Graaf C, Doré AS, Errey JC, Jazayeri A, Marshall FH, Mason JS, Mould R, Patel JC, Tehan BG, Weir M, Christopher JA. | 10.1021/acs.jmedchem.9b01787 | 2020-01-01 | Yes | |
OX2R | OX2 | Orexin | A | Human | X-ray | 6TPJ | 6TPJ_refined | 2.7 | A | Inactive | 1 | 68 | - | - | - | - | GlgA glycogen synthase | - |
suvorexant
|
small-molecule | Antagonist | orexin-A, orexin-B | peptide | No | No | Rappas M, Ali AAE, Bennett KA, Brown JD, Bucknell SJ, Congreve M, Cooke RM, Cseke G, de Graaf C, Doré AS, Errey JC, Jazayeri A, Marshall FH, Mason JS, Mould R, Patel JC, Tehan BG, Weir M, Christopher JA. | 10.1021/acs.jmedchem.9b01787 | 2020-01-01 | Yes | |
OX1R | OX1 | Orexin | A | Human | X-ray | 6TQ9 | 6TQ9_refined | 2.7 | B | Inactive | 1 | 71 | - | - | - | - | - | - |
SB-408124
|
small-molecule | Antagonist | orexin-A, orexin-B | peptide | No | No | Rappas M, Ali AAE, Bennett KA, Brown JD, Bucknell SJ, Congreve M, Cooke RM, Cseke G, de Graaf C, Doré AS, Errey JC, Jazayeri A, Marshall FH, Mason JS, Mould R, Patel JC, Tehan BG, Weir M, Christopher JA. |