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8ATC
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COMPLEX OF N-PHOSPHONACETYL-L-ASPARTATE WITH ASPARTATE CARBAMOYLTRANSFERASE. X-RAY REFINEMENT, ANALYSIS OF CONFORMATIONAL CHANGES AND CATALYTIC AND ALLOSTERIC MECHANISMS
Descriptor:ASPARTATE CARBAMOYLTRANSFERASE (R STATE), CATALYTIC CHAIN, ASPARTATE CARBAMOYLTRANSFERASE REGULATORY CHAIN, ...
Authors:Ke, H., Lipscomb, W.N., Cho, Y., Honzatko, R.B.
Deposit date:1989-08-25
Release date:1990-10-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Complex of N-phosphonacetyl-L-aspartate with aspartate carbamoyltransferase. X-ray refinement, analysis of conformational changes and catalytic and allosteric mechanisms.
J.Mol.Biol., 204, 1988
8AT1
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CRYSTAL STRUCTURES OF ASPARTATE CARBAMOYLTRANSFERASE LIGATED WITH PHOSPHONOACETAMIDE, MALONATE, AND CTP OR ATP AT 2.8-ANGSTROMS RESOLUTION AND NEUTRAL P*H
Descriptor:ASPARTATE CARBAMOYLTRANSFERASE (R STATE), CATALYTIC CHAIN, ASPARTATE CARBAMOYLTRANSFERASE REGULATORY CHAIN, ...
Authors:Gouaux, J.E., Stevens, R.C., Lipscomb, W.N.
Deposit date:1989-09-22
Release date:1990-10-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of aspartate carbamoyltransferase ligated with phosphonoacetamide, malonate, and CTP or ATP at 2.8-A resolution and neutral pH.
Biochemistry, 29, 1990
7AT1
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CRYSTAL STRUCTURES OF ASPARTATE CARBAMOYLTRANSFERASE LIGATED WITH PHOSPHONOACETAMIDE, MALONATE, AND CTP OR ATP AT 2.8-ANGSTROMS RESOLUTION AND NEUTRAL P*H
Descriptor:ASPARTATE CARBAMOYLTRANSFERASE (R STATE), CATALYTIC CHAIN, ASPARTATE CARBAMOYLTRANSFERASE REGULATORY CHAIN, ...
Authors:Gouaux, J.E., Stevens, R.C., Lipscomb, W.N.
Deposit date:1989-09-22
Release date:1990-10-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of aspartate carbamoyltransferase ligated with phosphonoacetamide, malonate, and CTP or ATP at 2.8-A resolution and neutral pH.
Biochemistry, 29, 1990
6PAH
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HUMAN PHENYLALANINE HYDROXYLASE CATALYTIC DOMAIN DIMER WITH BOUND L-DOPA (3,4-DIHYDROXYPHENYLALANINE) INHIBITOR
Descriptor:PHENYLALANINE 4-MONOOXYGENASE, FE (III) ION, 3,4-DIHYDROXYPHENYLALANINE
Authors:Erlandsen, H., Flatmark, T., Stevens, R.C.
Deposit date:1998-08-20
Release date:1999-04-27
Last modified:2011-08-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystallographic analysis of the human phenylalanine hydroxylase catalytic domain with bound catechol inhibitors at 2.0 A resolution.
Biochemistry, 37, 1998
6MTG
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A SINGLE REACTIVE NONCANONICAL AMINO ACID IS ABLE TO DRAMATICALLY STABILIZE PROTEIN STRUCTURE
Descriptor:Homoserine O-succinyltransferase, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
Authors:Li, J.C., Nasertorabi, F., Xuan, W., Han, G.W., Stevens, R.C., Schultz, P.G.
Deposit date:2018-10-19
Release date:2019-06-26
Last modified:2019-07-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Single Reactive Noncanonical Amino Acid Is Able to Dramatically Stabilize Protein Structure.
Acs Chem.Biol., 14, 2019
6ME9
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XFEL CRYSTAL STRUCTURE OF HUMAN MELATONIN RECEPTOR MT2 IN COMPLEX WITH RAMELTEON
Descriptor:Soluble cytochrome b562,Melatonin receptor type 1B,Rubredoxin, N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide, ZINC ION
Authors:Johansson, L.C., Stauch, B., McCorvy, J., Han, G.W., Patel, N., Batyuk, A., Gati, C., Li, C., Grandner, J., Hao, S., Olsen, R.H.J., Tribo, A.R., Zaare, S., Zhu, L., Zatsepin, N.A., Weierstall, U., Liu, W., Roth, B.L., Katritch, V., Cherezov, V.
Deposit date:2018-09-05
Release date:2019-04-24
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:XFEL structures of the human MT2melatonin receptor reveal the basis of subtype selectivity.
Nature, 569, 2019
6ME8
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XFEL CRYSTAL STRUCTURE OF HUMAN MELATONIN RECEPTOR MT2 (N86D) IN COMPLEX WITH 2-PHENYLMELATONIN
Descriptor:Soluble cytochrome b562,Melatonin receptor type 1B,Rubredoxin, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, ZINC ION
Authors:Johansson, L.C., Stauch, B., McCorvy, J., Han, G.W., Patel, N., Batyuk, A., Gati, C., Li, C., Grandner, J., Hao, S., Olsen, R.H.J., Tribo, A.R., Zaare, S., Zhu, L., Zatsepin, N.A., Weierstall, U., Liu, W., Roth, B.L., Katritch, V., Cherezov, V.
Deposit date:2018-09-05
Release date:2019-04-24
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:XFEL structures of the human MT2melatonin receptor reveal the basis of subtype selectivity.
Nature, 569, 2019
6ME7
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XFEL CRYSTAL STRUCTURE OF HUMAN MELATONIN RECEPTOR MT2 (H208A) IN COMPLEX WITH 2-PHENYLMELATONIN
Descriptor:Soluble cytochrome b562,Melatonin receptor type 1B,Rubredoxin, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, ZINC ION, ...
Authors:Johansson, L.C., Stauch, B., McCorvy, J., Han, G.W., Patel, N., Batyuk, A., Gati, C., Li, C., Grandner, J., Hao, S., Olsen, R.H.J., Tribo, A.R., Zaare, S., Zhu, L., Zatsepin, N.A., Weierstall, U., Liu, W., Roth, B.L., Katritch, V., Cherezov, V.
Deposit date:2018-09-05
Release date:2019-04-24
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:XFEL structures of the human MT2melatonin receptor reveal the basis of subtype selectivity.
Nature, 569, 2019
6ME6
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XFEL CRYSTAL STRUCTURE OF HUMAN MELATONIN RECEPTOR MT2 IN COMPLEX WITH 2-PHENYLMELATONIN
Descriptor:Soluble cytochrome b562,Melatonin receptor type 1B,Rubredoxin, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, ZINC ION, ...
Authors:Johansson, L.C., Stauch, B., McCorvy, J., Han, G.W., Patel, N., Batyuk, A., Gati, C., Li, C., Grandner, J., Hao, S., Olsen, R.H.J., Tribo, A.R., Zaare, S., Zhu, L., Zatsepin, N.A., Weierstall, U., Liu, W., Roth, B.L., Katritch, V., Cherezov, V.
Deposit date:2018-09-05
Release date:2019-04-24
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:XFEL structures of the human MT2melatonin receptor reveal the basis of subtype selectivity.
Nature, 569, 2019
6ME5
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XFEL CRYSTAL STRUCTURE OF HUMAN MELATONIN RECEPTOR MT1 IN COMPLEX WITH AGOMELATINE
Descriptor:chimera protein of Melatonin receptor type 1A and GlgA glycogen synthase, ~{N}-[2-(7-methoxynaphthalen-1-yl)ethyl]ethanamide, OLEIC ACID
Authors:Stauch, B., Johansson, L.C., McCorvy, J.D., Patel, N., Han, G.W., Gati, C., Batyuk, A., Ishchenko, A., Brehm, W., White, T.A., Michaelian, N., Madsen, C., Zhu, L., Grant, T.D., Grandner, J.M., Olsen, R.H.J., Tribo, A.R., Weierstall, U., Roth, B.L., Katritch, V., Liu, W., Cherezov, V.
Deposit date:2018-09-05
Release date:2019-04-24
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
6ME4
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XFEL CRYSTAL STRUCTURE OF HUMAN MELATONIN RECEPTOR MT1 IN COMPLEX WITH 2-IODOMELATONIN
Descriptor:chimera protein of Melatonin receptor type 1A and GlgA glycogen synthase, N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide, DI(HYDROXYETHYL)ETHER, ...
Authors:Stauch, B., Johansson, L.C., McCorvy, J.D., Patel, N., Han, G.W., Gati, C., Batyuk, A., Ishchenko, A., Brehm, W., White, T.A., Michaelian, N., Madsen, C., Zhu, L., Grant, T.D., Grandner, J.M., Olsen, R.H.J., Tribo, A.R., Weierstall, U., Roth, B.L., Katritch, V., Liu, W., Cherezov, V.
Deposit date:2018-09-05
Release date:2019-04-24
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
6ME3
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XFEL CRYSTAL STRUCTURE OF HUMAN MELATONIN RECEPTOR MT1 IN COMPLEX WITH 2-PHENYLMELATONIN
Descriptor:chimera protein of Melatonin receptor type 1A and GlgA glycogen synthase, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, OLEIC ACID, ...
Authors:Stauch, B., Johansson, L.C., McCorvy, J.D., Patel, N., Han, G.W., Gati, C., Batyuk, A., Ishchenko, A., Brehm, W., White, T.A., Michaelian, N., Madsen, C., Zhu, L., Grant, T.D., Grandner, J.M., Olsen, R.H.J., Tribo, A.R., Weierstall, U., Roth, B.L., Katritch, V., Liu, W., Cherezov, V.
Deposit date:2018-09-05
Release date:2019-04-24
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
6ME2
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XFEL CRYSTAL STRUCTURE OF HUMAN MELATONIN RECEPTOR MT1 IN COMPLEX WITH RAMELTEON
Descriptor:chimera protein of Melatonin receptor type 1A and GlgA glycogen synthase, N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide, OLEIC ACID, ...
Authors:Stauch, B., Johansson, L.C., McCorvy, J.D., Patel, N., Han, G.W., Gati, C., Batyuk, A., Ishchenko, A., Brehm, W., White, T.A., Michaelian, N., Madsen, C., Zhu, L., Grant, T.D., Grandner, J.M., Olsen, R.H.J., Tribo, A.R., Weierstall, U., Roth, B.L., Katritch, V., Liu, W., Cherezov, V.
Deposit date:2018-09-05
Release date:2019-04-24
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
6M9T
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CRYSTAL STRUCTURE OF EP3 RECEPTOR BOUND TO MISOPROSTOL-FA
Descriptor:Prostaglandin E2 receptor EP3 subtype, Endolysin chimera, (11alpha,12alpha,13E,16S)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oic acid, ...
Authors:Audet, M., White, K.L., Breton, B., Zarzycka, B., Han, G.W., Lu, Y., Gati, C., Batyuk, A., Popov, P., Velasquez, J., Manahan, D., Hu, H., Weierstall, U., Liu, W., Shui, W., Katrich, V., Cherezov, V., Hanson, M.A., Stevens, R.C.
Deposit date:2018-08-24
Release date:2018-12-05
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of misoprostol bound to the labor inducer prostaglandin E2receptor.
Nat. Chem. Biol., 15, 2019
6J21
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CRYSTAL STRUCTURE OF THE HUMAN NK1 SUBSTANCE P RECEPTOR
Descriptor:Substance-P receptor,Endolysin, 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
Authors:Chen, S., Lu, M., Zhang, H., Wu, B., Zhao, Q.
Deposit date:2018-12-30
Release date:2019-03-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Human substance P receptor binding mode of the antagonist drug aprepitant by NMR and crystallography.
Nat Commun, 10, 2019
6J20
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CRYSTAL STRUCTURE OF THE HUMAN NK1 SUBSTANCE P RECEPTOR
Descriptor:Substance-P receptor,Endolysin, 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one
Authors:Chen, S., Lu, M., Zhang, H., Wu, B., Zhao, Q.
Deposit date:2018-12-30
Release date:2019-03-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Human substance P receptor binding mode of the antagonist drug aprepitant by NMR and crystallography.
Nat Commun, 10, 2019
6EDR
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CRYSTAL STRUCTURE OF HUMAN CD38 IN COMPLEX WITH 4'-THIORIBOSE NAD+
Descriptor:ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-yl)-3,4-bis(oxidanyl)thiolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Authors:Dai, Z., Zhang, X.N., Nasertorabi, F., Cheng, Q., Pei, H., Louie, S.G., Stevens, C.R., Zhang, Y.
Deposit date:2018-08-10
Release date:2018-11-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Facile chemoenzymatic synthesis of a novel stable mimic of NAD+
Chem Sci, 9, 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
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
6BD4
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CRYSTAL STRUCTURE OF HUMAN APO-FRIZZLED4 RECEPTOR
Descriptor:Frizzled-4/Rubredoxin chimeric protein, ZINC ION, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ...
Authors:Yang, S., Wu, Y., Pu, M., Chen, Y., Dong, S., Guo, Y., Han, G.Y., Stevens, R.C., Zhao, S., Xu, F.
Deposit date:2017-10-21
Release date:2018-08-22
Last modified:2018-09-12
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the Frizzled 4 receptor in a ligand-free state.
Nature, 560, 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
6AT1
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STRUCTURAL CONSEQUENCES OF EFFECTOR BINDING TO THE T STATE OF ASPARTATE CARBAMOYLTRANSFERASE. CRYSTAL STRUCTURES OF THE UNLIGATED AND ATP-, AND CTP-COMPLEXED ENZYMES AT 2.6-ANGSTROMS RESOLUTION
Descriptor:ASPARTATE CARBAMOYLTRANSFERASE (T STATE), CATALYTIC CHAIN, ASPARTATE CARBAMOYLTRANSFERASE REGULATORY CHAIN, ...
Authors:Stevens, R.C., Gouaux, J.E., Lipscomb, W.N.
Deposit date:1990-04-26
Release date:1990-10-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural consequences of effector binding to the T state of aspartate carbamoyltransferase: crystal structures of the unligated and ATP- and CTP-complexed enzymes at 2.6-A resolution.
Biochemistry, 29, 1990
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
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
5ZKQ
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CRYSTAL STRUCTURE OF THE HUMAN PLATELET-ACTIVATING FACTOR RECEPTOR IN COMPLEX WITH ABT-491
Descriptor:Platelet-activating factor receptor,Endolysin,Endolysin,Platelet-activating factor receptor, 4-ethynyl-3-{3-fluoro-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]benzene-1-carbonyl}-N,N-dimethyl-1H-indole-1-carboxamide, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ...
Authors:Cao, C., Zhao, Q., Zhang, X.C., Wu, B.
Deposit date:2018-03-25
Release date:2018-06-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for signal recognition and transduction by platelet-activating-factor receptor.
Nat. Struct. Mol. Biol., 25, 2018