5WF5
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AGONIST BOUND HUMAN A2A ADENOSINE RECEPTOR WITH D52N MUTATION AT 2.60 A RESOLUTION
Descriptor:Human A2a adenosine receptor T4L chimera, 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
Authors:White, K.L., Eddy, M.T., Gao, Z., Han, G.W., Hanson, M.A., Lian, T., Deary, A., Patel, N., Jacobson, K.A., Katritch, V., Stevens, R.C.
Deposit date:2017-07-11
Release date:2018-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Connection between Activation Microswitch and Allosteric Sodium Site in GPCR Signaling.
Structure, 26, 2018
5WF6
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AGONIST BOUND HUMAN A2A ADENOSINE RECEPTOR WITH S91A MUTATION AT 2.90 A RESOLUTION
Descriptor:Human A2a adenosine receptor T4L chimera, 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
Authors:White, K.L., Eddy, M.T., Gao, Z., Han, G.W., Hanson, M.A., Lian, T., Deary, A., Patel, N., Jacobson, K.A., Katritch, V., Stevens, R.C.
Deposit date:2017-07-11
Release date:2018-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Connection between Activation Microswitch and Allosteric Sodium Site in GPCR Signaling.
Structure, 26, 2018
5WIU
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STRUCTURE OF THE HUMAN D4 DOPAMINE RECEPTOR IN COMPLEX WITH NEMONAPRIDE
Descriptor:D(4) dopamine receptor, soluble cytochrome b562 chimera, Nemonapride, ...
Authors:Wacker, D., Wang, S., Levit, A., Che, T., Betz, R.M., McCorvy, J.D., Venkatakrishnan, A.J., Huang, X.-P., Dror, R.O., Shoichet, B.K., Roth, B.L.
Deposit date:2017-07-20
Release date:2017-10-18
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (1.962 Å)
Cite:D4 dopamine receptor high-resolution structures enable the discovery of selective agonists.
Science, 358, 2017
5WIV
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STRUCTURE OF THE SODIUM-BOUND HUMAN D4 DOPAMINE RECEPTOR IN COMPLEX WITH NEMONAPRIDE
Descriptor:D(4) dopamine receptor, soluble cytochrome b562 chimera, Nemonapride, ...
Authors:Wacker, D., Wang, S., Levit, A., Che, T., Betz, R.M., McCorvy, J.D., Venkatakrishnan, A.J., Huang, X.-P., Dror, R.O., Shoichet, B.K., Roth, B.L.
Deposit date:2017-07-20
Release date:2017-10-18
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.143 Å)
Cite:D4 dopamine receptor high-resolution structures enable the discovery of selective agonists.
Science, 358, 2017
5X33
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LEUKOTRIENE B4 RECEPTOR BLT1 IN COMPLEX WITH BIIL260
Descriptor:LTB4 receptor,Lysozyme,LTB4 receptor, 4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]benzenecarboximidamide
Authors:Hori, T., Hirata, K., Yamashita, K., Kawano, Y., Yamamoto, M., Yokoyama, S.
Deposit date:2017-02-03
Release date:2018-01-03
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Na+-mimicking ligands stabilize the inactive state of leukotriene B4receptor BLT1.
Nat. Chem. Biol., 14, 2018
5X7D
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STRUCTURE OF BETA2 ADRENOCEPTOR BOUND TO CARAZOLOL AND AN INTRACELLULAR ALLOSTERIC ANTAGONIST
Descriptor:Chimera protein of Beta-2 adrenergic receptor and Lysozyme, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHOLESTEROL, ...
Authors:Liu, X., Ahn, S., Kahsai, A.W., Meng, K.-C., Latorraca, N.R., Pani, B., Venkatakrishnan, A.J., Masoudi, A., Weis, W.I., Dror, R.O., Chen, X., Lefkowitz, R.J., Kobilka, B.K.
Deposit date:2017-02-25
Release date:2017-08-16
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (2.703 Å)
Cite:Mechanism of intracellular allosteric beta 2AR antagonist revealed by X-ray crystal structure.
Nature, 548, 2017
5XJM
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COMPLEX STRUCTURE OF ANGIOTENSIN II TYPE 2 RECEPTOR WITH FAB
Descriptor:Type-2 angiotensin II receptor,Soluble cytochrome b562,Type-2 angiotensin II receptor, FabH, FabL, ...
Authors:Asada, H., Horita, S., Shimamura, T., Iwata, S.
Deposit date:2017-05-02
Release date:2018-07-11
Last modified:2018-07-25
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of the human angiotensin II type 2 receptor bound to an angiotensin II analog
Nat. Struct. Mol. Biol., 25, 2018
5XR8
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CRYSTAL STRUCTURE OF THE HUMAN CB1 IN COMPLEX WITH AGONIST AM841
Descriptor:Cannabinoid receptor 1,Flavodoxin,Cannabinoid receptor 1, FLAVIN MONONUCLEOTIDE, (6aR,9R,10aR)-3-(8-azanyl-2-methyl-octan-2-yl)-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol, ...
Authors:Hua, T., Vemuri, K., Nikas, P.S., Laprairie, R.B., Wu, Y., Qu, L., Pu, M., Korde, A., Shan, J., Ho, J.H., Han, G.W., Ding, K., Li, X., Liu, H., Hanson, M.A., Zhao, S., Bohn, L.M., Makriyannis, A., Stevens, R.C., Liu, Z.J.
Deposit date:2017-06-07
Release date:2017-07-12
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal structures of agonist-bound human cannabinoid receptor CB1
Nature, 547, 2017
5XRA
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CRYSTAL STRUCTURE OF THE HUMAN CB1 IN COMPLEX WITH AGONIST AM11542
Descriptor:Cannabinoid receptor 1,Flavodoxin,Cannabinoid receptor 1, FLAVIN MONONUCLEOTIDE, (6aR,10aR)-3-(8-bromanyl-2-methyl-octan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol, ...
Authors:Hua, T., Vemuri, K., Nikas, P.S., Laprairie, R.B., Wu, Y., Qu, L., Pu, M., Korde, A., Shan, J., Ho, J.H., Han, G.W., Ding, K., Li, X., Liu, H., Hanson, M.A., Zhao, S., Bohn, L.M., Makriyannis, A., Stevens, R.C., Liu, Z.J.
Deposit date:2017-06-08
Release date:2017-07-12
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of agonist-bound human cannabinoid receptor CB1
Nature, 547, 2017
5XSZ
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CRYSTAL STRUCTURE OF ZEBRAFISH LYSOPHOSPHATIDIC ACID RECEPTOR LPA6
Descriptor:Lysophosphatidic acid receptor 6a,Endolysin,Lysophosphatidic acid receptor 6a, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
Authors:Taniguchi, R., Nishizawa, T., Ishitani, R., Nureki, O.
Deposit date:2017-06-16
Release date:2017-08-16
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural insights into ligand recognition by the lysophosphatidic acid receptor LPA6
Nature, 548, 2017
5ZBH
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THE CRYSTAL STRUCTURE OF HUMAN NEUROPEPTIDE Y Y1 RECEPTOR WITH BMS-193885
Descriptor:Neuropeptide Y receptor type 1,T4 Lysozyme,Neuropeptide Y receptor type 1, dimethyl 4-{3-[({3-[4-(3-methoxyphenyl)piperidin-1-yl]propyl}carbamoyl)amino]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Authors:Yang, Z., Han, S., Zhao, Q., Wu, B.
Deposit date:2018-02-11
Release date:2018-04-25
Last modified:2018-05-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of ligand binding modes at the neuropeptide Y Y1receptor
Nature, 556, 2018
5ZBQ
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THE CRYSTAL STRUCTURE OF HUMAN NEUROPEPTIDE Y Y1 RECEPTOR WITH UR-MK299
Descriptor:Neuropeptide Y receptor type 1,T4 Lysozyme, N~2~-(diphenylacetyl)-N-[(4-hydroxyphenyl)methyl]-N~5~-(N'-{[2-(propanoylamino)ethyl]carbamoyl}carbamimidoyl)-D-ornithinamide
Authors:Yang, Z., Han, S., Zhao, Q., Wu, B.
Deposit date:2018-02-12
Release date:2018-04-25
Last modified:2018-05-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of ligand binding modes at the neuropeptide Y Y1receptor
Nature, 556, 2018
5ZKP
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CRYSTAL STRUCTURE OF THE HUMAN PLATELET-ACTIVATING FACTOR RECEPTOR IN COMPLEX WITH SR 27417
Descriptor:Platelet-activating factor receptor,Flavodoxin,Platelet-activating factor receptor, N1,N1-dimethyl-N2-[(pyridin-3-yl)methyl]-N2-{4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-yl}ethane-1,2-diamine, FLAVIN MONONUCLEOTIDE
Authors:Cao, C., Zhao, Q., Zhang, X.C., Wu, B.
Deposit date:2018-03-25
Release date:2018-06-20
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structural basis for signal recognition and transduction by platelet-activating-factor receptor.
Nat. Struct. Mol. Biol., 25, 2018
5ZTY
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CRYSTAL STRUCTURE OF HUMAN G PROTEIN COUPLED RECEPTOR
Descriptor:G protein coupled receptor,T4 lysozyme,G protein coupled receptor, N-(adamantan-1-yl)-1-(5-hydroxypentyl)-4-methyl-5-phenyl-1H-pyrazole-3-carboxamide, OLEIC ACID, ...
Authors:Li, X.T., Hua, T., Wu, L.J., Liu, Z.J.
Deposit date:2018-05-05
Release date:2019-01-30
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of the Human Cannabinoid Receptor CB2
Cell, 176, 2019
6A93
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CRYSTAL STRUCTURE OF 5-HT2AR IN COMPLEX WITH RISPERIDONE
Descriptor:5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, 3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one, CHOLESTEROL, ...
Authors:Kimura, T.K., Asada, H., Inoue, A., Kadji, F.M.N., Im, D., Mori, C., Arakawa, T., Hirata, K., Nomura, Y., Nomura, N., Aoki, J., Iwata, S., Shimamura, T.
Deposit date:2018-07-11
Release date:2019-02-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of the 5-HT2A receptor in complex with the antipsychotics risperidone and zotepin
Nat.Struct.Mol.Biol., 26, 2019
6A94
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CRYSTAL STRUCTURE OF 5-HT2AR IN COMPLEX WITH ZOTEPINE
Descriptor:5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, 2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethyl-ethanamine, CHOLESTEROL, ...
Authors:Kimura, T.K., Asada, H., Inoue, A., Kadji, F.M.N., Im, D., Mori, C., Arakawa, T., Hirata, K., Nomura, Y., Nomura, N., Aoki, J., Iwata, S., Shimamura, T.
Deposit date:2018-07-11
Release date:2019-02-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of the 5-HT2A receptor in complex with the antipsychotics risperidone and zotepin
Nat.Struct.Mol.Biol., 26, 2019
6AKX
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THE CRYSTAL STRUCTURE OF HUMAN CHEMOKINE RECEPTOR CCR5 IN COMPLEX WITH COMPOUND 21
Descriptor:C-C chemokine receptor type 5,Rubredoxin,C-C chemokine receptor type 5, ZINC ION, NITRATE ION, ...
Authors:Zhu, Y., Zhao, Q., Wu, B.
Deposit date:2018-09-04
Release date:2018-10-24
Last modified:2018-11-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Based Design of 1-Heteroaryl-1,3-propanediamine Derivatives as a Novel Series of CC-Chemokine Receptor 5 Antagonists.
J. Med. Chem., 61, 2018
6AKY
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THE CRYSTAL STRUCTURE OF HUMAN CHEMOKINE RECEPTOR CCR5 IN COMPLEX WITH COMPOUND 34
Descriptor:C-C chemokine receptor type 5,Rubredoxin,C-C chemokine receptor type 5, ZINC ION, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ...
Authors:Zhu, Y., Zhao, Q., Wu, B.
Deposit date:2018-09-04
Release date:2018-10-24
Last modified:2018-11-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Based Design of 1-Heteroaryl-1,3-propanediamine Derivatives as a Novel Series of CC-Chemokine Receptor 5 Antagonists.
J. Med. Chem., 61, 2018
6AQF
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CRYSTAL STRUCTURE OF A2AAR-BRIL IN COMPLEX WITH THE ANTAGONIST ZM241385 PRODUCED FROM PICHIA PASTORIS
Descriptor:Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, CHOLESTEROL, ...
Authors:Eddy, M.T., Lee, M.Y., Gao, Z., White, K., Didenko, T., Horst, R., Audet, M., Stanczak, P., McClary, K.M., Han, G.W., Jacobson, K.A., Stevens, R.C., Wuthrich, K.
Deposit date:2017-08-19
Release date:2018-01-10
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Allosteric Coupling of Drug Binding and Intracellular Signaling in the A2A Adenosine Receptor.
Cell, 172, 2018
6B73
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CRYSTAL STRUCTURE OF A NANOBODY-STABILIZED ACTIVE STATE OF THE KAPPA-OPIOID RECEPTOR
Descriptor:Soluble cytochrome b562, kappa-type opioid receptor, Nanobody, ...
Authors:Che, T., Majumdar, S., Zaidi, S.A., Kormos, C., McCorvy, J.D., Wang, S., Mosier, P.D., Uprety, R., Vardy, E., Krumm, B.E., Han, G.W., Lee, M.Y., Pardon, E., Steyaert, J., Huang, X.P., Strachan, R.T., Tribo, A.R., Pasternak, G.W., Carroll, I.F., Stevens, R.C., Cherezov, V., Katritch, V., Wacker, D., Roth, B.L.
Deposit date:2017-10-03
Release date:2018-01-17
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of the Nanobody-Stabilized Active State of the Kappa Opioid Receptor.
Cell, 172, 2018
6BQG
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CRYSTAL STRUCTURE OF 5-HT2C IN COMPLEX WITH ERGOTAMINE
Descriptor:5-hydroxytryptamine receptor 2C,Soluble cytochrome b562, Ergotamine, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
Authors:Peng, Y., McCorvy, J.D., Harpsoe, K., Lansu, K., Yuan, S., Popov, P., Qu, L., Pu, M., Che, T., Nikolajse, L.F., Huang, X.P., Wu, Y., Shen, L., Bjorn-Yoshimoto, W.E., Ding, K., Wacker, D., Han, G.W., Cheng, J., Katritch, V., Jensen, A.A., Hanson, M.A., Zhao, S., Gloriam, D.E., Roth, B.L., Stevens, R.C., Liu, Z.
Deposit date:2017-11-27
Release date:2018-02-14
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:5-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology.
Cell, 172, 2018
6BQH
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CRYSTAL STRUCTURE OF 5-HT2C IN COMPLEX WITH RITANSERIN
Descriptor:5-hydroxytryptamine receptor 2C,Soluble cytochrome b562, 6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ...
Authors:Peng, Y., McCorvy, J.D., Harpsoe, K., Lansu, K., Yuan, S., Popov, P., Qu, L., Pu, M., Che, T., Nikolajse, L.F., Huang, X.P., Wu, Y., Shen, L., Bjorn-Yoshimoto, W.E., Ding, K., Wacker, D., Han, G.W., Cheng, J., Katritch, V., Jensen, A.A., Hanson, M.A., Zhao, S., Gloriam, D.E., Roth, B.L., Stevens, R.C., Liu, Z.
Deposit date:2017-11-27
Release date:2018-02-14
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:5-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology.
Cell, 172, 2018
6C1Q
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CRYSTAL STRUCTURE OF HUMAN C5A RECEPTOR IN COMPLEX WITH AN ORTHOSTERIC ANTAGONIST PMX53 AND AN ALLOSTERIC ANTAGONIST NDT9513727
Descriptor:Soluble cytochrome b562, C5a anaphylatoxin chemotactic receptor 1 chimera, PMX53, ...
Authors:Liu, H., Wang, L., Wei, Z., Zhang, C.
Deposit date:2018-01-05
Release date:2018-05-30
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Orthosteric and allosteric action of the C5a receptor antagonists.
Nat. Struct. Mol. Biol., 25, 2018
6C1R
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CRYSTAL STRUCTURE OF HUMAN C5A RECEPTOR IN COMPLEX WITH AN ORTHOSTERIC ANTAGONIST PMX53 AND AN ALLOSTERIC ANTAGONIST AVACOPAN
Descriptor:Soluble cytochrome b562, C5a anaphylatoxin chemotactic receptor 1 chimera, PMX53, ...
Authors:Liu, H., Wang, L., Wei, Z., Zhang, C.
Deposit date:2018-01-05
Release date:2018-05-30
Last modified:2018-09-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Orthosteric and allosteric action of the C5a receptor antagonists.
Nat. Struct. Mol. Biol., 25, 2018
6CM4
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STRUCTURE OF THE D2 DOPAMINE RECEPTOR BOUND TO THE ATYPICAL ANTIPSYCHOTIC DRUG RISPERIDONE
Descriptor:D(2) dopamine receptor, endolysin chimera, 3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one, ...
Authors:Wang, S., Che, T., Levit, A., Shoichet, B.K., Wacker, D., Roth, B.L.
Deposit date:2018-03-02
Release date:2018-03-14
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.867 Å)
Cite:Structure of the D2 dopamine receptor bound to the atypical antipsychotic drug risperidone.
Nature, 555, 2018