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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 | 21 | 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 | 21 | 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 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 1L9H | - | 2.6 | A | Inactive | 21 | 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 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 1GZM | 1GZM_refined | 2.7 | A | Inactive | 21 | 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 | 21 | 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 | 21 | 100 | - | - | - | - | - | - |
Retinal (all-trans)
|
small-molecule | Agonist | - | - | No | No | Nakamichi H, Okada T | 10.1073/PNAS.0601765103 | 2006-08-22 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 2G87 | 2G87_refined | 2.6 | A | Inactive | 21 | 100 | - | - | - | - | - | - |
Retinal (all-trans)
|
small-molecule | Agonist | - | - | No | No | Nakamichi H, Okada T | 10.1002/ANIE.200600595 | 2006-09-02 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 2I35 | - | 3.8 | A | Inactive | 21 | 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 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 2I36 | - | 4.1 | A | Inactive | 21 | 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 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 2J4Y | - | 3.4 | B | Inactive | 21 | 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 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 2RH1 | - | 2.4 | A | Inactive | 0 | 68 | - | - | - | - | T4-Lysozyme | - |
Carazolol
|
small-molecule | Inverse agonist | (-)-noradrenaline, (-)-adrenaline, noradrenaline, L-NOREPINEPHRINE, Zn2+ | 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 | 2R4S | 2R4S_refined | 3.4 | A | Inactive | 1 | 52 | - | - | - | - | - | Antibody | - | - | - | (-)-noradrenaline, (-)-adrenaline, noradrenaline, L-NOREPINEPHRINE, Zn2+ | 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 | Yes | |
OPSD | Rhodopsin | Opsins | A | Japanese flying squid | X-ray | 2Z73 | 2Z73_refined | 2.5 | A | Inactive | 16 | 78 | - | - | - | - | - | - |
Retinal (11-cis)
|
small-molecule | Inverse agonist | - | - | Yes | No | Murakami M, Kouyama T | 10.1038/NATURE06925 | 2008-05-13 | Yes | |
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 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 3C9M | - | 3.4 | A | Inactive | 21 | 94 | - | - | - | - | - | - |
Retinal (11-cis)
|
small-molecule | Inverse agonist | - | - | No | No | Stenkamp RE | 10.1107/S0907444908017162 | 2008-08-05 | 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 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 3NY8 | 3NY8_refined | 2.8 | A | Inactive | 0 | 67 | - | - | - | - | T4-Lysozyme | - |
ICI 118551
|
small-molecule | Inverse agonist | (-)-noradrenaline, (-)-adrenaline, noradrenaline, L-NOREPINEPHRINE, Zn2+ | 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, (-)-adrenaline, noradrenaline, L-NOREPINEPHRINE, Zn2+ | 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 | 3OE0 | - | 2.9 | A | Inactive | 4 | 78 | - | - | - | - | T4-Lysozyme | - |
CVX15
|
peptide | Antagonist | CXCL12γ, CXCL12, CXCL12α, CXCL12δ, CXCL12ε, CXCL12φ, CXCL12β | 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 | 3OE8 | 3OE8_refined | 3.1 | A | Inactive | 4 | 76 | - | - | - | - | T4-Lysozyme | - |
isothiourea-1t
|
small-molecule | Antagonist | CXCL12γ, CXCL12, CXCL12α, CXCL12δ, CXCL12ε, CXCL12φ, CXCL12β | 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 | |
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 | 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 | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 2Y04 | 2Y04_refined | 3.1 | B | Inactive | 0 | 62 | - | - | - | - | - | - |
levosalbutamol
|
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 | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 3OAX | - | 2.6 | A | Inactive | 21 | 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 | 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 | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 3QAK | 3QAK_refined | 2.7 | A | Active | 67 | 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 | 2Y01 | - | 2.6 | A | Inactive | 0 | 59 | - | - | - | - | - | - |
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 | 2011-03-30 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 2YDV | 2YDV_refined | 2.6 | A | Active | 67 | 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 | 2YCX | - | 3.3 | A | Inactive | 0 | 59 | - | - | - | - | - | - |
(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 | 2011-06-01 | 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 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 3SN6 | - | 3.2 | R | Active | 100 | 69 | Gs | αs | - | 89 | T4-Lysozyme | Antibody |
CHEMBL1615159
|
small-molecule | Agonist | (-)-noradrenaline, (-)-adrenaline, noradrenaline, L-NOREPINEPHRINE, Zn2+ | small-molecule | Yes | No | Rasmussen SG, DeVree BT, Zou Y, Kruse AC, Chung KY, Kobilka TS, Thian FS, Chae PS, Pardon E, Calinski D, Mathiesen JM, Shah ST, Lyons JA, Caffrey M, Gellman SH, Steyaert J, Skiniotis G, Weis WI, Sunahara RK, Kobilka BK | 10.1038/NATURE10361 | 2011-07-20 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 3PWH | 3PWH_refined | 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 | Yes | |
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 | |
ACM2 | M2 | Acetylcholine (muscarinic) | A | Human | X-ray | 3UON | 3UON_refined | 3.0 | A | Inactive | 2 | 60 | - | - | - | - | T4-Lysozyme | - |
CHEMBL558910
|
small-molecule | Antagonist | acetylcholine | small-molecule | Yes | No | Haga K, Kruse AC, Asada H, Yurugi-Kobayashi T, Shiroishi M, Zhang C, Weis WI, Okada T, Kobilka BK, Haga T, Kobayashi T | 10.1038/NATURE10753 | 2012-02-01 | 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 | Yes | |
S1PR1 | S1P1 | Lysophospholipid (S1P) | A | Human | X-ray | 3V2Y | 3V2Y_refined | 2.8 | A | Inactive | 1 | 76 | - | - | - | - | T4-Lysozyme | - |
W146
|
small-molecule | Antagonist | dihydrosphingosine 1-phosphate, sphingosine 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 | Yes | |
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 | |
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 | |
OPRM | μ | Opioid | A | Mouse | X-ray | 4DKL | 4DKL_refined | 2.8 | A | Inactive | 4 | 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 | |
OPRX | NOP | Opioid | A | Human | X-ray | 4EA3 | 4EA3_refined | 3.0 | A | Inactive | 4 | 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 | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 4AMJ | 4AMJ_refined | 2.3 | B | Inactive | 0 | 62 | - | - | - | - | - | - |
CHEMBL3799125
|
small-molecule | Inverse agonist | - | - | Yes | No | Warne T, Edwards PC, Leslie AG, Tate CG | 10.1016/J.STR.2012.03.014 | 2012-05-23 | Yes | |
NTR1 | NTS1 | Neurotensin | A | Rat | X-ray | 4GRV | 4GRV_refined | 2.8 | A | Active | 87 | 69 | - | - | - | - | T4-Lysozyme | - |
JMV431
|
peptide | Agonist | neuromedin N, neurotensin | peptide | Yes | No | White JF, Noinaj N, Shibata Y, Love J, Kloss B, Xu F, Gvozdenovic-Jeremic J, Shah P, Shiloach J, Tate CG, Grisshammer R | 10.1038/NATURE11558 | 2012-10-17 | Yes | |
PAR1 | PAR1 | Proteinase-activated | A | Human | X-ray | 3VW7 | 3VW7_refined | 2.2 | A | Intermediate | 41 | 66 | - | - | - | - | T4-Lysozyme | - |
vorapaxar
|
small-molecule | Antagonist | thrombin | peptide | Yes | No | Zhang C, Srinivasan Y, Arlow DH, Fung JJ, Palmer D, Zheng Y, Green HF, Pandey A, Dror RO, Shaw DE, Weis WI, Coughlin SR, Kobilka BK | 10.1038/NATURE11701 | 2012-12-12 | Yes | |
5HT1B | 5-HT1B | 5-Hydroxytryptamine | A | Human | X-ray | 4IAQ | 4IAQ_refined | 2.8 | A | Inactive | 14 | 70 | - | - | - | - | BRIL | - |
dihydroergotamine
|
small-molecule | Agonist | tryptamine, 5-HT-moduline, 5-hydroxytryptamine | 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 | |
5HT2B | 5-HT2B | 5-Hydroxytryptamine | A | Human | X-ray | 4IB4 | 4IB4_refined | 2.7 | A | Intermediate | 41 | 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 | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 3ZPR | 3ZPR_refined | 2.7 | B | Inactive | 0 | 61 | - | - | - | - | - | - |
CHEMBL1559535
|
small-molecule | Antagonist | - | - | Yes | Yes | Christopher JA, Brown J, Doré AS, Errey JC, Koglin M, Marshall FH, Myszka DG, Rich RL, Tate CG, Tehan B, Warne T, Congreve M. | 10.1021/jm400140q | 2013-04-03 | Yes | |
SMO | SMO | Frizzled | F | Human | X-ray | 4JKV | 4JKV_refined | 2.5 | A | Inactive | 0 | 44 | - | - | - | - | BRIL | - |
taladegib
|
small-molecule | Antagonist | - | - | No | No | Wang C, Wu H, Katritch V, Han GW, Huang XP, Liu W, Siu FY, Roth BL, Cherezov V, Stevens RC | 10.1038/NATURE12167 | 2013-04-24 | Yes | |
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 | |
CCR5 | CCR5 | Chemokine | A | Human | X-ray | 4MBS | 4MBS_refined | 2.7 | A | Inactive | 15 | 83 | - | - | - | - | Rubredoxin | - |
maraviroc
|
small-molecule | Antagonist | CCL13, CCL11, CCL7, CCL3, CCL8, CCL16, CCL4, CCL2, CCL5, CCL14 | 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 | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 4LDL | 4LDL_refined | 3.1 | A | Active | 99 | 69 | - | - | - | - | T4-Lysozyme | Nanobody |
hydroxybenzylisoproterenol
|
small-molecule | Agonist | (-)-noradrenaline, (-)-adrenaline, noradrenaline, L-NOREPINEPHRINE, Zn2+ | 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 | 99 | 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 | |
5HT2B | 5-HT2B | 5-Hydroxytryptamine | A | Human | X-ray | 4NC3 | 4NC3_refined | 2.8 | A | Intermediate | 41 | 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 | |
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 | 4BUO | 4BUO_refined | 2.8 | A | Inactive | 3 | 72 | - | - | - | - | - | - |
neurotensin
|
peptide | Agonist | neuromedin N, neurotensin | 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 | Yes | |
NTR1 | NTS1 | Neurotensin | A | Rat | X-ray | 4BWB | - | 3.6 | A | Inactive | 3 | 72 | - | - | - | - | - | - |
neurotensin
|
peptide | Agonist | neuromedin N, neurotensin | 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 | Yes | |
GRM1 | mGlu1 | Metabotropic glutamate | C | Human | X-ray | 4OR2 | 4OR2_refined | 2.8 | B | Inactive | - | 22 | - | - | - | - | BRIL | - |
FITM
|
small-molecule | NAM | L-glutamic acid | small-molecule | No | No | Wu H, Wang C, Gregory KJ, Han GW, Cho HP, Xia Y, Niswender CM, Katritch V, Meiler J, Cherezov V, Conn PJ, Stevens RC | 10.1126/science.1249489 | 2014-03-19 | Yes | |
P2Y12 | P2Y12 | P2Y | A | Human | X-ray | 4NTJ | 4NTJ_refined | 2.6 | A | Intermediate | 41 | 78 | - | - | - | - | BRIL | - |
AZD1283
|
small-molecule | Antagonist | ATP, ADP | 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 | |
P2Y12 | P2Y12 | P2Y | A | Human | X-ray | 4PY0 | 4PY0_refined | 3.1 | A | Intermediate | 41 | 83 | - | - | - | - | BRIL | - |
2MeSATP
|
small-molecule | Agonist (partial) | ATP, ADP | 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 | |
FFAR1 | FFA1 | Free fatty acid | A | Human | X-ray | 4PHU | 4PHU_refined | 2.3 | A | Intermediate | 41 | 90 | - | - | - | - | T4-Lysozyme | - |
fasiglifam
|
small-molecule | Allosteric agonist | myristic acid, α-linolenic acid, oleic acid, docosahexaenoic acid | small-molecule | No | No | Srivastava A, Yano J, Hirozane Y, Kefala G, Gruswitz F, Snell G, Lane W, Ivetac A, Aertgeerts K, Nguyen J, Jennings A, Okada K | 10.1038/NATURE13494 | 2014-07-16 | Yes | |
SMO | SMO | Frizzled | F | Human | X-ray | 4QIN | 4QIN_refined | 2.6 | A | Inactive | 11 | 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 | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 4PXF | 4PXF_refined | 2.8 | A | Active | 100 | 93 | Visual | S-arrestin | Fragment | 2 | - | - |
B-Octylglucoside
|
small-molecule | unknown | - | - | No | No | Szczepek M, Beyriere F, Hofmann KP, Elgeti M, Kazmin R, Rose A, Bartl FJ, von Stetten D, Heck M, Sommer ME, Hildebrand PW, Scheerer P | 10.1038/NCOMMS5801 | 2014-09-17 | Yes | |
ACM3 | M3 | Acetylcholine (muscarinic) | A | Rat | X-ray | 4U14 | 4U14_refined | 3.6 | A | Inactive | 2 | 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 | |
ACM3 | M3 | Acetylcholine (muscarinic) | A | Rat | X-ray | 4U16 | 4U16_refined | 3.7 | B | Inactive | 2 | 47 | - | - | - | - | T4-Lysozyme | - |
N-methyl scopolamine
|
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 | |
OPRD | δ | Opioid | A | Human | X-ray | 4RWD | 4RWD_refined | 2.7 | A | Inactive | 4 | 79 | - | - | - | - | BRIL | - |
DIPP-NH2
|
peptide | Antagonist | dynorphin A, [Leu]enkephalin, endomorphin-1, dynorphin B, dynorphin A-(1-8), β-endorphin, α-neoendorphin, [Met]enkephalin, dynorphin A-(1-13) | peptide | Yes | Yes | 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 | |
CXCR4 | CXCR4 | Chemokine | A | Human | X-ray | 4RWS | 4RWS_refined | 3.1 | A | Inactive | 4 | 78 | - | - | - | - | T4-Lysozyme | - |
vMIP-II
|
peptide | Antagonist | CXCL12γ, CXCL12, CXCL12α, CXCL12δ, CXCL12ε, CXCL12φ, CXCL12β | peptide | Yes | No | Qin L, Kufareva I, Holden LG, Wang C, Zheng Y, Zhao C, Fenalti G, Wu H, Han GW, Cherezov V, Abagyan R, Stevens RC, Handel TM | 10.1126/SCIENCE.1261064 | 2015-02-11 | Yes | |
P2RY1 | P2Y1 | P2Y | A | Human | X-ray | 4XNV | - | 2.2 | A | Intermediate | 41 | 78 | - | - | - | - | Rubredoxin | - |
BMS compound 16 [PMID:23368907]
|
small-molecule | NAM | ATP, ADP | 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 | 41 | 78 | - | - | - | - | Rubredoxin | - |
MRS2500
|
small-molecule | Antagonist | ATP, ADP | 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 | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 4UHR | 4UHR_refined | 2.6 | A | Active | 67 | 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 | 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 | |
LPAR1 | LPA1 | Lysophospholipid (LPA) | A | Human | X-ray | 4Z36 | 4Z36_refined | 2.9 | A | Inactive | 1 | 79 | - | - | - | - | BRIL | - |
ONO-3080573
|
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 | 87 | 71 | - | - | - | - | T4-Lysozyme | - |
neurotensin
|
peptide | Agonist | neuromedin N, neurotensin | peptide | Yes | No | Krumm BE, White JF, Shah P, Grisshammer R | 10.1038/NCOMMS8895 | 2015-07-29 | Yes | |
OPSD | Rhodopsin | Opsins | A | Human | X-ray | 4ZWJ | 4ZWJ_refined | 3.3 | A | Active | 100 | 94 | Visual | S-arrestin | - | 86 | T4-Lysozyme | - |
Apo (no ligand)
|
none | Apo (no ligand) | - | - | No | No | Kang Y, Zhou XE, Gao X, He Y, Liu W, Ishchenko A, Barty A, White TA, Yefanov O, Han GW, Xu Q, de Waal PW, Ke J, Tan MH, Zhang C, Moeller A, West GM, Pascal BD, Van Eps N, Caro LN, Vishnivetskiy SA, Lee RJ, Suino-Powell KM, Gu X, Pal K, Ma J, Zhi X, Boutet S, Williams GJ, Messerschmidt M, Gati C, Zatsepin NA, Wang D, James D, Basu S, Roy-Chowdhury S, Conrad CE, Coe J, Liu H, Lisova S, Kupitz C, Grotjohann I, Fromme R, Jiang Y, Tan M, Yang H, Li J, Wang M, Zheng Z, Li D, Howe N, Zhao Y, Standfuss J, Diederichs K, Dong Y, Potter CS, Carragher B, Caffrey M, Jiang H, Chapman HN, Spence JC, Fromme P, Weierstall U, Ernst OP, Katritch V, Gurevich VV, Griffin PR, Hubbell WL, Stevens RC, Cherezov V, Melcher K, Xu HE | 10.1038/NATURE14656 | 2015-07-29 | Yes | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 5A8E | 5A8E_refined | 2.4 | A | Inactive | 0 | 59 | - | - | - | - | - | - |
7-methylcyanopindolol
|
small-molecule | Inverse agonist | - | - | Yes | Yes | Sato T, Baker J, Warne T, Brown GA, Leslie AG, Congreve M, Tate CG | 10.1124/MOL.115.101030 | 2015-09-30 | Yes | |
OPRX | NOP | Opioid | A | Human | X-ray | 5DHG | 5DHG_refined | 3.0 | A | Inactive | 4 | 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 | |
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 | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 5D5A | 5D5A_refined | 2.5 | A | Inactive | 0 | 68 | - | - | - | - | T4-Lysozyme | - |
Carazolol
|
small-molecule | Inverse agonist | (-)-noradrenaline, (-)-adrenaline, noradrenaline, L-NOREPINEPHRINE, Zn2+ | 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 | |
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 | |
ACM1 | M1 | Acetylcholine (muscarinic) | A | Human | X-ray | 5CXV | 5CXV_refined | 2.7 | A | Inactive | 2 | 62 | - | - | - | - | T4-Lysozyme | - |
0HK
|
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 | 2016-03-09 | 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 | |
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 | 5IU8 | 5IU8_refined | 2.0 | A | Inactive | 1 | 71 | - | - | - | - | BRIL | - |
CHEMBL3934661
|
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 | 5IUB | 5IUB_refined | 2.1 | A | Inactive | 1 | 71 | - | - | - | - | BRIL | - |
CHEMBL184061
|
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 | 5L7D | 5L7D_refined | 3.2 | B | Inactive | 4 | 59 | - | - | - | - | BRIL | - | - | - | - | - | - | 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 | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5G53 | 5G53_refined | 3.4 | A | Active | 100 | 68 | Gs | αs | Engineered G protein | 50 | - | - |
NECA
|
small-molecule | Agonist | adenosine | small-molecule | Yes | No | Carpenter B, Nehme R, Warne T, Leslie AG, Tate CG | 10.1038/NATURE18966 | 2016-08-03 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 5EN0 | 5EN0_refined | 2.8 | A | Active | 100 | 94 | Gi/o | αt3 | Only H5 | 3 | - | - |
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 | 14 | 66 | - | - | - | - | T4-Lysozyme | - |
ENDOTHELIN
|
protein | Agonist | endothelin-2, endothelin-3, 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 | - | - | 2016-09-21 | 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 | |
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 | |
CNR1 | CB1 | Cannabinoid | A | Human | X-ray | 5U09 | 5U09_refined | 2.6 | A | Inactive | 10 | 60 | - | - | - | - | Glycogen synthase | - |
taranabant
|
small-molecule | Inverse agonist | 2-arachidonoylglycerol, anandamide | small-molecule | Yes | No | Shao Z, Yin J, Chapman K, Grzemska M, Clark L, Wang J, Rosenbaum DM | 10.1038/NATURE20613 | 2016-12-07 | Yes | |
NTR1 | NTS1 | Neurotensin | A | Rat | X-ray | 5T04 | 5T04_refined | 3.3 | A | Active | 87 | 69 | - | - | - | - | T4-Lysozyme | - |
neurotensin
|
peptide | Agonist | neuromedin N, neurotensin | peptide | Yes | No | Krumm BE, Lee S, Bhattacharya S, Botos I, White CF, Du H, Vaidehi N, Grisshammer R | 10.1038/SREP38564 | 2016-12-21 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5UIG | 5UIG_refined | 3.5 | A | Inactive | 18 | 70 | - | - | - | - | BRIL | - |
5-Amino-N-[(2-Methoxyphenyl)methyl]-2-(3-Methylphenyl)-2h-1,2,3-Triazole-4-Carboximidamide
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Sun B, Bachhawat P, Chu ML, Wood M, Ceska T, Sands ZA, Mercier J, Lebon F, Kobilka TS, Kobilka BK | 10.1073/PNAS.1621423114 | 2017-02-08 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 5TE3 | 5TE3_refined | 2.7 | A | Active | 98 | 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 | |
AGTR2 | AT2 | Angiotensin | A | Human | X-ray | 5UNF | 5UNF_refined | 2.8 | A | Active | 99 | 79 | - | - | - | - | 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 | 5NDD | 5NDD_refined | 2.8 | A | Intermediate | 41 | 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 | |
PAR2 | PAR2 | Proteinase-activated | A | Human | X-ray | 5NDZ | 5NDZ_refined | 3.6 | A | Intermediate | 41 | 74 | - | - | - | - | BRIL | - |
AZ3451
|
small-molecule | Allosteric 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 | - | - | - | - | - | calcitonin, calcitonin (salmon), adrenomedullin 2/intermedin, α-CGRP, β-CGRP, amylin, adrenomedullin | 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 | |
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 | |
G1SGD4 | GLP-1 | Glucagon | B1 | Rabbit | Cryo-EM | 5VAI | - | 4.1 | R | Active | 100 | 84 | Gs | αs | - | 59 | - | - |
CHEMBL410972
|
protein | Agonist | - | - | No | No | Zhang Y, Sun B, Feng D, Hu H, Chu M, Qu Q, Tarrasch JT, Li S, Sun Kobilka T, Kobilka BK, Skiniotis G | 10.1038/NATURE22394 | 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 | |
APJ | apelin | Apelin | A | Human | X-ray | 5VBL | - | 2.6 | B | Inactive | 4 | 79 | - | - | - | - | Rubredoxin | - |
AMG3054
|
peptide | Agonist | [Pyr1]apelin-13, apelin-17, apelin receptor early endogenous ligand, Elabela/Toddler-11, Elabela/Toddler-21, apelin-13, Elabela/Toddler-32, apelin-36 | peptide | Yes | No | Ma Y, Yue Y, Ma Y, Zhang Q, Zhou Q, Song Y, Shen Y, Li X, Ma X, Li C, Hanson MA, Han GW, Sickmier EA, Swaminath G, Zhao S, Stevens RC, Hu LA, Zhong W, Zhang M, Xu F | 10.1016/J.STR.2017.04.008 | 2017-05-31 | Yes | |
FFAR1 | FFA1 | Free fatty acid | A | Human | X-ray | 5TZY | 5TZY_refined | 3.2 | A | Intermediate | 41 | 91 | - | - | - | - | T4-Lysozyme | - |
MK-8666
(2S,3R)-3-Cyclopropyl-3-[(2R)-2-[1-[(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]piperidin-4-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid |
small-molecule small-molecule |
Agonist PAM |
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 | 94 | 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 | |
CNR1 | CB1 | Cannabinoid | A | Human | X-ray | 5XRA | 5XRA_refined | 2.8 | A | Active | 94 | 60 | - | - | - | - | Flavodoxin | - |
AM11542
|
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 | 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 | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5N2R | 5N2R_refined | 2.8 | A | Inactive | 1 | 71 | - | - | - | - | BRIL | - |
PSB36
|
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 | 88 | 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 | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 5X7D | 5X7D_refined | 2.7 | A | Inactive | 0 | 68 | - | - | - | - | T4-Lysozyme | - |
4-carbamoyl-N-[(2R)-2-cyclohexyl-2-phenylacetyl]-L-phenylalanyl-3-bromo-N-methyl-L-phenylalaninamide
Carazolol |
small-molecule small-molecule |
Allosteric antagonist Antagonist |
(-)-noradrenaline, (-)-adrenaline, noradrenaline, L-NOREPINEPHRINE, Zn2+ | small-molecule | Yes | No | Liu X, Ahn S, Kahsai AW, Meng KC, Latorraca NR, Pani B, Venkatakrishnan AJ, Masoudi A, Weis WI, Dror RO, Chen X, Lefkowitz RJ, Kobilka BK | 10.1038/NATURE23652 | 2017-08-16 | Yes | |
EDNRB | ETB | Endothelin | A | Human | X-ray | 5X93 | 5X93_refined | 2.2 | A | Inactive | 4 | 71 | - | - | - | - | T4-Lysozyme | - |
K-8794
|
small-molecule | Antagonist | endothelin-2, endothelin-3, 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 | |
Q08BG4 | LPA6 | Lysophospholipid (LPA) | A | Zebrafish | X-ray | 5XSZ | 5XSZ_refined | 3.2 | A | Active | 67 | 78 | - | - | - | - | T4-Lysozyme | - |
Apo (no ligand)
|
none | Apo (no ligand) | - | - | Yes | No | Taniguchi R, Inoue A, Sayama M, Uwamizu A, Yamashita K, Hirata K, Yoshida M, Tanaka Y, Kato HE, Nakada-Nakura Y, Otani Y, Nishizawa T, Doi T, Ohwada T, Ishitani R, Aoki J, Nureki O | 10.1038/NATURE23448 | 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 | |
DRD4 | D4 | Dopamine | A | Human | X-ray | 5WIU | - | 2.0 | A | Inactive | 1 | 64 | - | - | - | - | BRIL | - |
[3H]NEMONAPRIDE
|
small-molecule | Antagonist | dopamine | small-molecule | Yes | No | 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 | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 2I37 | 2I37_refined | 4.2 | A | Inactive | 21 | 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 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 2PED | - | 3.0 | B | Inactive | 21 | 100 | - | - | - | - | - | - |
Retinal (9-cis)
|
small-molecule | Inverse agonist | - | - | No | No | Nakamichi H, Buss V, Okada T | 10.1529/BIOPHYSJ.107.108225 | 2007-10-30 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 2R4R | 2R4R_refined | 3.4 | A | Inactive | 1 | 52 | - | - | - | - | - | Antibody | - | - | - | (-)-noradrenaline, (-)-adrenaline, noradrenaline, L-NOREPINEPHRINE, Zn2+ | 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 | Yes | |
OPSD | Rhodopsin | Opsins | A | Japanese flying squid | X-ray | 2ZIY | - | 3.7 | A | Inactive | 16 | 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 | 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, (-)-adrenaline, noradrenaline, L-NOREPINEPHRINE, Zn2+ | 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 | 98 | 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 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 3C9L | 3C9L_refined | 2.7 | A | Inactive | 21 | 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 | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 3KJ6 | - | 3.4 | A | Inactive | 1 | 54 | - | - | - | - | - | Antibody | - | - | - | (-)-noradrenaline, (-)-adrenaline, noradrenaline, L-NOREPINEPHRINE, Zn2+ | 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 | 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, (-)-adrenaline, noradrenaline, L-NOREPINEPHRINE, Zn2+ | 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 | 4 | 83 | - | - | - | - | T4-Lysozyme | - |
isothiourea-1t
|
small-molecule | Antagonist | CXCL12γ, CXCL12, CXCL12α, CXCL12δ, CXCL12ε, CXCL12φ, CXCL12β | 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 | 3OE6_refined | 3.2 | A | Inactive | 4 | 77 | - | - | - | - | T4-Lysozyme | - |
isothiourea-1t
|
small-molecule | Antagonist | CXCL12γ, CXCL12, CXCL12α, CXCL12δ, CXCL12ε, CXCL12φ, CXCL12β | 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 | 3OE9 | 3OE9_refined | 3.1 | A | Inactive | 4 | 74 | - | - | - | - | T4-Lysozyme | - |
isothiourea-1t
|
small-molecule | Antagonist | CXCL12γ, CXCL12, CXCL12α, CXCL12δ, CXCL12ε, CXCL12φ, CXCL12β | 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 | |
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 | 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 | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 3PDS | 3PDS_refined | 3.5 | A | Inactive | 0 | 68 | - | - | - | - | T4-Lysozyme | - |
FAUC50
|
small-molecule | Agonist | (-)-noradrenaline, (-)-adrenaline, noradrenaline, L-NOREPINEPHRINE, Zn2+ | small-molecule | Yes | No | Rosenbaum DM, Zhang C, Lyons JA, Holl R, Aragao D, Arlow DH, Rasmussen SG, Choi HJ, Devree BT, Sunahara RK, Chae PS, Gellman SH, Dror RO, Shaw DE, Weis WI, Caffrey M, Gmeiner P, Kobilka BK | 10.1038/NATURE09665 | 2011-01-12 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 3P0G | 3P0G_refined | 3.5 | A | Active | 99 | 69 | - | - | - | - | T4-Lysozyme | Nanobody |
CHEMBL1615159
|
small-molecule | Agonist | (-)-noradrenaline, (-)-adrenaline, noradrenaline, L-NOREPINEPHRINE, Zn2+ | small-molecule | Yes | No | Rasmussen SG, Choi HJ, Fung JJ, Pardon E, Casarosa P, Chae PS, Devree BT, Rosenbaum DM, Thian FS, Kobilka TS, Schnapp A, Konetzki I, Sunahara RK, Gellman SH, Pautsch A, Steyaert J, Weis WI, Kobilka BK | 10.1038/NATURE09648 | 2011-01-19 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 3PXO | - | 3.0 | A | Active | 98 | 94 | - | - | - | - | - | - |
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 | 2YDO | 2YDO_refined | 3.0 | A | Active | 67 | 73 | - | - | - | - | - | - |
adenosine
|
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 | 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 | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 2YCZ | 2YCZ_refined | 3.7 | B | Inactive | 0 | 60 | - | - | - | - | - | - |
Iodocyanopindolol
|
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 | 2 | 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 | |
OPSD | Rhodopsin | Opsins | A | Japanese flying squid | X-ray | 3AYM | - | 2.8 | B | Inactive | 16 | 77 | - | - | - | - | - | - |
Retinal (all-trans)
|
small-molecule | Agonist | - | - | Yes | No | Murakami M, Kouyama T | 10.1016/J.JMB.2011.08.044 | 2011-08-17 | Yes | |
OPSD | Rhodopsin | Opsins | A | Japanese flying squid | X-ray | 3AYN | - | 2.7 | B | Inactive | 16 | 77 | - | - | - | - | - | - |
Retinal (9-cis)
|
small-molecule | Inverse agonist | - | - | Yes | No | Murakami M, Kouyama T | 10.1016/J.JMB.2011.08.044 | 2011-08-17 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 3REY | 3REY_refined | 3.3 | A | Inactive | 1 | 71 | - | - | - | - | - | - |
xanthine amine congener
|
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 | |
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 | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 3VG9 | 3VG9_refined | 2.7 | A | Inactive | 1 | 72 | - | - | - | - | - | Antibody fab fragment light chain Antibody fab fragment heavy chain |
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 | Yes | |
S1PR1 | S1P1 | Lysophospholipid (S1P) | A | Human | X-ray | 3V2W | 3V2W_refined | 3.4 | A | Inactive | 1 | 68 | - | - | - | - | T4-Lysozyme | - |
W146
|
small-molecule | Antagonist | dihydrosphingosine 1-phosphate, sphingosine 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 | Yes | |
ACM3 | M3 | Acetylcholine (muscarinic) | A | Rat | X-ray | 4DAJ | - | 3.4 | A | Inactive | 2 | 46 | - | - | - | - | T4-Lysozyme | - |
tiotropium
|
small-molecule | Antagonist | acetylcholine | small-molecule | Yes | No | Kruse AC, Hu J, Pan AC, Arlow DH, Rosenbaum DM, Rosemond E, Green HF, Liu T, Chae PS, Dror RO, Shaw DE, Weis WI, Wess J, Kobilka BK | 10.1038/NATURE10867 | 2012-02-22 | Yes | |
OPRK | κ | Opioid | A | Human | X-ray | 4DJH | 4DJH_refined | 2.9 | A | Inactive | 4 | 76 | - | - | - | - | T4-Lysozyme | - |
JDTic
|
small-molecule | Antagonist | dynorphin A, β-neoendorphin, [Leu]enkephalin, dynorphin B, dynorphin A-(1-8), β-endorphin, α-neoendorphin, [Met]enkephalin, dynorphin A-(1-13), big dynorphin | peptide | Yes | No | Wu H, Wacker D, Mileni M, Katritch V, Han GW, Vardy E, Liu W, Thompson AA, Huang XP, Carroll FI, Mascarella SW, Westkaemper RB, Mosier PD, Roth BL, Cherezov V, Stevens RC | 10.1038/NATURE10939 | 2012-03-21 | Yes | |
OPRD | δ | Opioid | A | Mouse | X-ray | 4EJ4 | 4EJ4_refined | 3.4 | A | Inactive | 4 | 76 | - | - | - | - | T4-Lysozyme | - |
naltrindole
|
small-molecule | Antagonist | [Leu]enkephalin, α-neoendorphin, [Met]enkephalin | peptide | Yes | No | Granier S, Manglik A, Kruse AC, Kobilka TS, Thian FS, Weis WI, Kobilka BK | 10.1038/NATURE11111 | 2012-05-16 | 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 | |
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 | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 4GBR | 4GBR_refined | 4.0 | A | Inactive | 0 | 69 | - | - | - | - | T4-Lysozyme | - |
Carazolol
|
small-molecule | Inverse agonist | (-)-noradrenaline, (-)-adrenaline, noradrenaline, L-NOREPINEPHRINE, Zn2+ | small-molecule | Yes | No | Zou Y, Weis WI, Kobilka BK | 10.1371/JOURNAL.PONE.0046039 | 2012-10-24 | 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 | |
5HT1B | 5-HT1B | 5-Hydroxytryptamine | A | Human | X-ray | 4IAR | 4IAR_refined | 2.7 | A | Inactive | 14 | 70 | - | - | - | - | BRIL | - |
ergotamine
|
small-molecule | Agonist | tryptamine, 5-HT-moduline, 5-hydroxytryptamine | 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 | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 3ZPQ | 3ZPQ_refined | 2.8 | B | Inactive | 0 | 62 | - | - | - | - | - | - |
CHEMBL200234
|
small-molecule | Antagonist | - | - | Yes | Yes | Christopher JA, Brown J, Doré AS, Errey JC, Koglin M, Marshall FH, Myszka DG, Rich RL, Tate CG, Tehan B, Warne T, Congreve M. | 10.1021/jm400140q | 2013-04-03 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 4BEZ | 4BEZ_refined | 3.3 | A | Active | 98 | 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 | 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 | |
CRFR1 | CRF1 | Corticotropin-releasing factor | B1 | Human | X-ray | 4K5Y | - | 3.0 | C | Inactive | 17 | 60 | - | - | - | - | T4-Lysozyme | - |
CP 376,395
|
small-molecule | Antagonist | urocortin 2, urocortin 1, corticotrophin-releasing hormone | peptide | No | No | Hollenstein K, Kean J, Bortolato A, Cheng RK, Dore AS, Jazayeri A, Cooke RM, Weir M, Marshall FH | 10.1038/NATURE12357 | 2013-07-17 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 4LDE | 4LDE_refined | 2.8 | A | Active | 99 | 69 | - | - | - | - | T4-Lysozyme | Nanobody |
CHEMBL1615159
|
small-molecule | Agonist | (-)-noradrenaline, (-)-adrenaline, noradrenaline, L-NOREPINEPHRINE, Zn2+ | 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 | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 4LDO | 4LDO_refined | 3.2 | A | Active | 99 | 69 | - | - | - | - | T4-Lysozyme | Nanobody |
(-)-adrenaline
|
small-molecule | Agonist | (-)-noradrenaline, (-)-adrenaline, noradrenaline, L-NOREPINEPHRINE, Zn2+ | 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 | |
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 | |
ACM2 | M2 | Acetylcholine (muscarinic) | A | Human | X-ray | 4MQT | 4MQT_refined | 3.7 | A | Active | 99 | 59 | - | - | - | - | - | Nanobody |
iperoxo
LY2119620 |
small-molecule small-molecule |
Agonist PAM |
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 | |
OPRD | δ | Opioid | A | Human | X-ray | 4N6H | 4N6H_refined | 1.8 | A | Inactive | 4 | 81 | - | - | - | - | BRIL | - |
naltrindole
|
small-molecule | Antagonist | dynorphin A, [Leu]enkephalin, endomorphin-1, dynorphin B, dynorphin A-(1-8), β-endorphin, α-neoendorphin, [Met]enkephalin, dynorphin A-(1-13) | peptide | Yes | Yes | Fenalti G, Giguere PM, Katritch V, Huang XP, Thompson AA, Cherezov V, Roth BL, Stevens RC | 10.1038/NATURE12944 | 2013-12-25 | Yes | |
NTR1 | NTS1 | Neurotensin | A | Rat | X-ray | 3ZEV | 3ZEV_refined | 3.0 | A | Inactive | 3 | 72 | - | - | - | - | - | - |
neurotensin
|
peptide | Agonist | neuromedin N, neurotensin | 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 | Yes | |
NTR1 | NTS1 | Neurotensin | A | Rat | X-ray | 4BV0 | 4BV0_refined | 3.1 | A | Inactive | 3 | 70 | - | - | - | - | - | - |
neurotensin
|
peptide | Agonist | neuromedin N, neurotensin | 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 | Yes | |
SMO | SMO | Frizzled | F | Human | X-ray | 4O9R | 4O9R_refined | 3.2 | A | Inactive | 11 | 42 | - | - | - | - | BRIL | - |
cyclopamine
|
small-molecule | Antagonist | - | - | No | No | Weierstall U, James D, Wang C, White TA, Wang D, Liu W, Spence JC, Bruce Doak R, Nelson G, Fromme P, Fromme R, Grotjohann I, Kupitz C, Zatsepin NA, Liu H, Basu S, Wacker D, Han GW, Katritch V, Boutet S, Messerschmidt M, Williams GJ, Koglin JE, Marvin Seibert M, Klinker M, Gati C, Shoeman RL, Barty A, Chapman HN, Kirian RA, Beyerlein KR, Stevens RC, Li D, Shah ST, Howe N, Caffrey M, Cherezov V | 10.1038/NCOMMS4309 | 2014-03-05 | Yes | |
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 | 4PXZ | 4PXZ_refined | 2.5 | A | Intermediate | 41 | 84 | - | - | - | - | BRIL | - |
2MeSADP
|
small-molecule | Agonist | ATP, ADP | 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 | |
GRM5 | mGlu5 | Metabotropic glutamate | C | Human | X-ray | 4OO9 | 4OO9_refined | 2.6 | A | Inactive | - | 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 | |
SMO | SMO | Frizzled | F | Human | X-ray | 4QIM | 4QIM_refined | 2.6 | A | Inactive | 7 | 45 | - | - | - | - | BRIL | - |
ANTA XV
|
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 | 2014-07-23 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 4QKX | 4QKX_refined | 3.3 | A | Active | 99 | 69 | - | - | - | - | T4-Lysozyme | Nanobody |
Q27453560
|
small-molecule | Agonist | (-)-noradrenaline, (-)-adrenaline, noradrenaline, L-NOREPINEPHRINE, Zn2+ | 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 | |
ACM3 | M3 | Acetylcholine (muscarinic) | A | Rat | X-ray | 4U15 | 4U15_refined | 2.8 | B | Inactive | 2 | 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 | |
OPRD | δ | Opioid | A | Human | X-ray | 4RWA | 4RWA_refined | 3.3 | A | Inactive | 4 | 77 | - | - | - | - | BRIL | - |
DIPP-NH2
|
peptide | Antagonist | dynorphin A, [Leu]enkephalin, endomorphin-1, dynorphin B, dynorphin A-(1-8), β-endorphin, α-neoendorphin, [Met]enkephalin, dynorphin A-(1-13) | 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 | |
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 | |
US28 | US28 | Unclassified | A | strain AD169 | X-ray | 4XT1 | - | 2.9 | A | Active | 100 | 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 | |
US28 | US28 | Unclassified | A | strain AD169 | X-ray | 4XT3 | 4XT3_refined | 3.8 | A | Active | 100 | 81 | - | - | - | - | - | - |
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 | 4UG2 | 4UG2_refined | 2.6 | A | Active | 67 | 71 | - | - | - | - | - | - |
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 | |
AGTR1 | AT1 | Angiotensin | A | Human | X-ray | 4YAY | 4YAY_refined | 2.9 | A | Inactive | 4 | 79 | - | - | - | - | BRIL | - |
ZD-7155
|
small-molecule | Antagonist | angiotensin II, angiotensin IV, angiotensin A, angiotensin III | peptide | Yes | No | Zhang H, Unal H, Gati C, Han GW, Liu W, Zatsepin NA, James D, Wang D, Nelson G, Weierstall U, Sawaya MR, Xu Q, Messerschmidt M, Williams GJ, Boutet S, Yefanov OM, White TA, Wang C, Ishchenko A, Tirupula KC, Desnoyer R, Coe J, Conrad CE, Fromme P, Stevens RC, Katritch V, Karnik SS, Cherezov V | 10.1016/J.CELL.2015.04.011 | 2015-04-22 | 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 | |
OPSD | Rhodopsin | Opsins | A | Japanese flying squid | X-ray | 4WW3 | 4WW3_refined | 2.8 | A | Inactive | 16 | 78 | - | - | - | - | - | - |
Retinal (all-trans)
|
small-molecule | Agonist | - | - | Yes | No | Murakami M, Kouyama T | 10.1371/JOURNAL.PONE.0126970 | 2015-06-17 | Yes | |
NTR1 | NTS1 | Neurotensin | A | Rat | X-ray | 4XES | 4XES_refined | 2.6 | A | Active | 87 | 72 | - | - | - | - | T4-Lysozyme | - |
neurotensin
|
peptide | Agonist | neuromedin N, neurotensin | peptide | Yes | No | Krumm BE, White JF, Shah P, Grisshammer R | 10.1038/NCOMMS8895 | 2015-07-29 | Yes | |
OPRM | μ | Opioid | A | Mouse | X-ray | 5C1M | 5C1M_refined | 2.1 | A | Active | 100 | 74 | - | - | - | - | - | Antibody |
BU72
|
small-molecule | Agonist | - | - | Yes | No | Huang W, Manglik A, Venkatakrishnan AJ, Laeremans T, Feinberg EN, Sanborn AL, Kato HE, Livingston KE, Thorsen TS, Kling RC, Granier S, Gmeiner P, Husbands SM, Traynor JR, Weis WI, Steyaert J, Dror RO, Kobilka BK | 10.1038/NATURE14886 | 2015-08-05 | Yes | |
GRM5 | mGlu5 | Metabotropic glutamate | C | Human | X-ray | 5CGC | 5CGC_refined | 3.1 | A | Inactive | - | 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 | |
GRM5 | mGlu5 | Metabotropic glutamate | C | Human | X-ray | 5CGD | 5CGD_refined | 2.6 | A | Inactive | - | 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 | |
AGTR1 | AT1 | Angiotensin | A | Human | X-ray | 4ZUD | 4ZUD_refined | 2.8 | A | Inactive | 4 | 75 | - | - | - | - | BRIL | - |
OLMESARTAN
|
small-molecule | Inverse agonist | angiotensin II, angiotensin IV, angiotensin A, angiotensin III | 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 | |
OPRX | NOP | Opioid | A | Human | X-ray | 5DHH | 5DHH_refined | 3.0 | A | Inactive | 4 | 76 | - | - | - | - | BRIL | - |
SB 612111
|
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 | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 5F8U | 5F8U_refined | 3.4 | A | Inactive | 0 | 57 | - | - | - | - | - | - |
(S)-Cyanopindolol
|
small-molecule | Antagonist | - | - | Yes | No | Leslie AG, Warne T, Tate CG | 10.1038/NSMB.3130 | 2015-12-23 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 5D5B | 5D5B_refined | 3.8 | A | Inactive | 0 | 68 | - | - | - | - | T4-Lysozyme | - |
Carazolol
|
small-molecule | Inverse agonist | (-)-noradrenaline, (-)-adrenaline, noradrenaline, L-NOREPINEPHRINE, Zn2+ | 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 | |
OX1R | OX1 | Orexin | A | Human | X-ray | 4ZJC | 4ZJC_refined | 2.8 | A | Inactive | 1 | 72 | - | - | - | - | GlgA glycogen synthase | - |
SB-674042
|
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 | |
ACM4 | M4 | Acetylcholine (muscarinic) | A | Human | X-ray | 5DSG | 5DSG_refined | 2.6 | B | Inactive | 2 | 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 | |
GLR | glucagon | Glucagon | B1 | Human | X-ray | 5EE7 | 5EE7_refined | 2.5 | A | Inactive | 0 | 54 | - | - | - | - | T4-Lysozyme | - |
Octaethylene glycol monoethyl ether
MK-0893 |
small-molecule small-molecule |
Antagonist NAM |
glucagon | peptide | No | No | Jazayeri A, Dore AS, Lamb D, Krishnamurthy H, Southall SM, Baig AH, Bortolato A, Koglin M, Robertson NJ, Errey JC, Andrews SP, Teobald I, Brown AJ, Cooke RM, Weir M, Marshall FH | 10.1038/NATURE17414 | 2016-04-20 | Yes | |
CRFR1 | CRF1 | Corticotropin-releasing factor | B1 | Human | X-ray | 4Z9G | - | 3.2 | A | Inactive | 17 | 63 | - | - | - | - | T4-Lysozyme | - |
CP 376,395
|
small-molecule | Antagonist | urocortin 2, urocortin 1, corticotrophin-releasing hormone | peptide | No | No | Dore AS, Bortolato A, Hollenstein K, Cheng RKY, Read RJ, Marshall FH | 10.2174/1874467210666170110114727 | 2016-06-29 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5IU7 | 5IU7_refined | 1.9 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
2-(Furan-2-yl)-5-N-[2-(4-phenylpiperidin-1-yl)ethyl]-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 | |
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 | |
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, (-)-adrenaline, noradrenaline, L-NOREPINEPHRINE, Zn2+ | 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 | |
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 | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 5DYS | 5DYS_refined | 2.3 | A | Active | 98 | 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 | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 5D6L | 5D6L_refined | 3.2 | A | Inactive | 0 | 68 | - | - | - | - | T4-Lysozyme | - |
Carazolol
|
small-molecule | Inverse agonist | (-)-noradrenaline, (-)-adrenaline, noradrenaline, L-NOREPINEPHRINE, Zn2+ | small-molecule | Yes | No | Ma P, Weichert D, Aleksandrov LA, Jensen TJ, Riordan JR, Liu X, Kobilka BK, Caffrey M | 10.1038/NPROT.2017.057 | 2016-08-17 | 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-2, endothelin-3, 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 | 5K2A | 5K2A_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 | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5K2C | 5K2C_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 | |
CNR1 | CB1 | Cannabinoid | A | Human | X-ray | 5TGZ | 5TGZ_refined | 2.8 | A | Inactive | 10 | 61 | - | - | - | - | Flavodoxin | - |
AM6538
|
small-molecule | Antagonist | 2-arachidonoylglycerol, anandamide | small-molecule | Yes | No | Hua T, Vemuri K, Pu M, Qu L, Han GW, Wu Y, Zhao S, Shui W, Li S, Korde A, Laprairie RB, Stahl EL, Ho JH, Zvonok N, Zhou H, Kufareva I, Wu B, Zhao Q, Hanson MA, Bohn LM, Makriyannis A, Stevens RC, Liu ZJ | 10.1016/J.CELL.2016.10.004 | 2016-11-02 | Yes | |
CCR2 | CCR2 | Chemokine | A | Human | X-ray | 5T1A | 5T1A_refined | 2.8 | A | Inactive | 15 | 76 | - | - | - | - | T4-Lysozyme | - |
CCR2-RA-[R]
BMS-681 |
small-molecule small-molecule |
Allosteric antagonist Antagonist |
CCL13, CCL11, CCL7, CCL24, CCL8, CCL16, CCL2, CCL26 | 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 | |
5HT2B | 5-HT2B | 5-Hydroxytryptamine | A | Human | X-ray | 5TVN | 5TVN_refined | 2.9 | A | Intermediate | 41 | 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 | |
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 | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 5TE5 | 5TE5_refined | 4.0 | A | Inactive | 21 | 100 | - | - | - | - | - | - |
10,20-Methanoretinal
|
small-molecule | Agonist | - | - | 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 | |
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 | |
AGTR2 | AT2 | Angiotensin | A | Human | X-ray | 5UNH | 5UNH_refined | 2.9 | B | Active | 99 | 75 | - | - | - | - | BRIL | - |
compound 2 [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 | 41 | 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 | |
GLP1R | GLP-1 | Glucagon | B1 | Human | X-ray | 5VEX | 5VEX_refined | 3.0 | B | Inactive | 0 | 57 | - | - | - | - | T4-Lysozyme | - |
NNC0640
|
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 | 2017-05-17 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5UVI | 5UVI_refined | 3.2 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
ZM-241385
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Martin-Garcia JM, Conrad CE, Nelson G, Stander N, Zatsepin NA, Zook J, Zhu L, Geiger J, Chun E, Kissick D, Hilgart MC, Ogata C, Ishchenko A, Nagaratnam N, Roy-Chowdhury S, Coe J, Subramanian G, Schaffer A, James D, Ketwala G, Venugopalan N, Xu S, Corcoran S, Ferguson D, Weierstall U, Spence JCH, Cherezov V, Fromme P, Fischetti RF, Liu W | 10.1107/S205225251700570X | 2017-05-24 | Yes | |
SMO | SMO | Frizzled | F | Human | X-ray | 5V57 | 5V57_refined | 3.0 | A | Inactive | 1 | 62 | - | - | - | - | 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 | |
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 | 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 | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5JTB | 5JTB_refined | 2.8 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
ZM-241385
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Melnikov I, Polovinkin V, Kovalev K, Gushchin I, Shevtsov M, Shevchenko V, Mishin A, Alekseev A, Rodriguez-Valera F, Borshchevskiy V, Cherezov V, Leonard GA, Gordeliy V, Popov A | 10.1126/SCIADV.1602952 | 2017-05-31 | Yes | |
FFAR1 | FFA1 | Free fatty acid | A | Human | X-ray | 5TZR | 5TZR_refined | 2.2 | A | Intermediate | 41 | 91 | - | - | - | - | T4-Lysozyme | - |
MK-8666
|
small-molecule | Allosteric 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 | |
GLP1R | GLP-1 | Glucagon | B1 | Human | X-ray | 5NX2 | - | 3.7 | A | Intermediate | 30 | 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 | |
CCR5 | CCR5 | Chemokine | A | Human | X-ray | 5UIW | - | 2.2 | A | Inactive | 15 | 85 | - | - | - | - | Rubredoxin | - |
5P7-CCL5
|
protein | Antagonist | CCL13, CCL11, CCL7, CCL3, CCL8, CCL16, CCL4, CCL2, CCL5, CCL14 | peptide | No | No | Zheng Y, Han GW, Abagyan R, Wu B, Stevens RC, Cherezov V, Kufareva I, Handel TM | 10.1016/J.IMMUNI.2017.05.002 | 2017-06-28 | 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 | |
AA1R | A1 | Adenosine | A | Human | X-ray | 5N2S | 5N2S_refined | 3.3 | A | Inactive | 1 | 86 | - | - | - | - | BRIL | - |
PSB36
|
small-molecule | Agonist | adenosine | small-molecule | Yes | No | 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 | |
EDNRB | ETB | Endothelin | A | Human | X-ray | 5XPR | 5XPR_refined | 3.6 | A | Inactive | 4 | 69 | - | - | - | - | T4-Lysozyme | - |
bosentan
|
small-molecule | Antagonist | endothelin-2, endothelin-3, 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 | 5NLX | - | 2.1 | A | Inactive | 1 | 73 | - | - | - | - | BRIL | - |
ZM-241385
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | 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 | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5NM4 | - | 1.7 | A | Inactive | 1 | 73 | - | - | - | - | BRIL | - |
ZM-241385
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | 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 | |
DRD4 | D4 | Dopamine | A | Human | X-ray | 5WIV | - | 2.1 | A | Inactive | 1 | 65 | - | - | - | - | 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 | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5VRA | 5VRA_refined | 2.4 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
ZM-241385
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | 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 | |
Q9WTK1 | BLT1 | Leukotriene | A | Guinea pig | X-ray | 5X33 | 5X33_refined | 3.7 | A | Inactive | 4 | 78 | - | - | - | - | T4-Lysozyme | - |
BIIL 260
|
small-molecule | Antagonist | - | - | Yes |