4N4W
 
 | | Structure of the human smoothened receptor in complex with SANT-1. | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (E)-N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanimine, Cytochrome b(562),Smoothened homolog, ... | | Authors: | Wang, C, Wu, H, Han, G.W, Cherezov, V, Stevens, R.C, GPCR Network (GPCR) | | Deposit date: | 2013-10-08 | | Release date: | 2014-01-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs.
Nat Commun, 5, 2014
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4O9R
 | | Human Smoothened Receptor structure in complex with cyclopamine | | Descriptor: | Cyclopamine, Smoothened homolog/Soluble cytochrome b562 chimeric protein | | Authors: | Wang, C, Weierstall, U, James, D, White, T.A, Wang, D, Liu, W, Spence, J.C.H, Doak, R.B, Nelson, G, Fromme, P, Fromme, R, Grotjohann, I, Kupitz, C, Zatsepin, N.A, Liu, H, Basu, S, Wacker, D, Han, G.W, Katritch, V, Boutet, S, Messerschmidt, M, Willams, G.J, Koglin, J.E, Seibert, M.M, Klinker, M, Gati, C, Shoeman, R.L, Barty, A, Chapman, H.N, Kirian, R.A, Beyerlein, K.R, Stevens, R.C, Li, D, Shah, S.T.A, Howe, N, Caffrey, M, Cherezov, V, GPCR Network (GPCR) | | Deposit date: | 2014-01-02 | | Release date: | 2014-03-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.204 Å) | | Cite: | Lipidic cubic phase injector facilitates membrane protein serial femtosecond crystallography.
Nat Commun, 5, 2014
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4NTJ
 | | Structure of the human P2Y12 receptor in complex with an antithrombotic drug | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, P2Y purinoceptor 12,Soluble cytochrome b562,P2Y purinoceptor 12, ... | | Authors: | Zhang, K, Zhang, J, Gao, Z.-G, Zhang, D, Zhu, L, Han, G.W, Moss, S.M, Paoletta, S, Kiselev, E, Lu, W, Fenalti, G, Zhang, W, Muller, C.E, Yang, H, Jiang, H, Cherezov, V, Katritch, V, Jacobson, K.A, Stevens, R.C, Wu, B, Zhao, Q, GPCR Network (GPCR) | | Deposit date: | 2013-12-02 | | Release date: | 2014-03-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Structure of the human P2Y12 receptor in complex with an antithrombotic drug
Nature, 509, 2014
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4NC3
 | | Crystal structure of the 5-HT2B receptor solved using serial femtosecond crystallography in lipidic cubic phase. | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHOLESTEROL, ... | | Authors: | Liu, W, Wacker, D, Gati, C, Han, G.W, James, D, Wang, D, Nelson, G, Weierstall, U, Katritch, V, Barty, A, Zatsepin, N.A, Li, D, Messerschmidt, M, Boutet, S, Williams, G.J, Koglin, J.E, Seibert, M.M, Wang, C, Shah, S.T.A, Basu, S, Fromme, R, Kupitz, C, Rendek, K.N, Grotjohann, I, Fromme, P, Kirian, R.A, Beyerlein, K.R, White, T.A, Chapman, H.N, Caffrey, M, Spence, J.C.H, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | | Deposit date: | 2013-10-23 | | Release date: | 2013-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Serial femtosecond crystallography of G protein-coupled receptors.
Science, 342, 2013
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4OR2
 | | Human class C G protein-coupled metabotropic glutamate receptor 1 in complex with a negative allosteric modulator | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-fluoro-N-methyl-N-{4-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl}benzamide, CHOLESTEROL, ... | | Authors: | Wu, H, Wang, C, Gregory, K.J, Han, G.W, Cho, H.P, Xia, Y, Niswender, C.M, Katritch, V, Cherezov, V, Conn, P.J, Stevens, R.C, GPCR Network (GPCR) | | Deposit date: | 2014-02-10 | | Release date: | 2014-03-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of a class C GPCR metabotropic glutamate receptor 1 bound to an allosteric modulator
Science, 344, 2014
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4PY0
 | | Crystal structure of P2Y12 receptor in complex with 2MeSATP | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate), P2Y purinoceptor 12, ... | | Authors: | Zhang, J, Zhang, K, Gao, Z.G, Paoletta, S, Zhang, D, Han, G.W, Li, T, Ma, L, Zhang, W, Muller, C.E, Yang, H, Jiang, H, Cherezov, V, Katritch, V, Jacobson, K.A, Stevens, R.C, Wu, B, Zhao, Q, GPCR Network (GPCR) | | Deposit date: | 2014-03-25 | | Release date: | 2014-04-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Agonist-bound structure of the human P2Y12 receptor
Nature, 509, 2014
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3KSV
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4PXZ
 | | Crystal structure of P2Y12 receptor in complex with 2MeSADP | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate), CHOLESTEROL, ... | | Authors: | Zhang, J, Zhang, K, Gao, Z.G, Paoletta, S, Zhang, D, Han, G.W, Li, T, Ma, L, Zhang, W, Muller, C.E, Yang, H, Jiang, H, Cherezov, V, Katritch, V, Jacobson, K.A, Stevens, R.C, Wu, B, Zhao, Q, GPCR Network (GPCR) | | Deposit date: | 2014-03-25 | | Release date: | 2014-04-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Agonist-bound structure of the human P2Y12 receptor
Nature, 509, 2014
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3KPA
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3LQF
 | | Crystal structure of the short-chain dehydrogenase Galactitol-Dehydrogenase (GatDH) of Rhodobacter sphaeroides in complex with NAD and erythritol | | Descriptor: | Galactitol dehydrogenase, MAGNESIUM ION, MESO-ERYTHRITOL, ... | | Authors: | Carius, Y, Christian, H, Faust, A, Kornberger, P, Zander, U, Klink, B.U, Kohring, G.W, Giffhorn, F, Scheidig, A.J. | | Deposit date: | 2010-02-09 | | Release date: | 2010-04-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural insight into substrate differentiation of the sugar-metabolizing enzyme galactitol dehydrogenase from Rhodobacter sphaeroides D.
J.Biol.Chem., 285, 2010
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4QIM
 | | Structure of the human smoothened receptor in complex with ANTA XV | | Descriptor: | 2-{6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}propan-2-ol, Smoothened homolog/Soluble cytochrome b562 chimeric protein, ZINC ION | | Authors: | Wang, C, Wu, H, Evron, T, Vardy, E, Han, G.W, Huang, X.-P, Hufeisen, S.J, Mangano, T.J, Urban, D.J, Katritch, V, Cherezov, V, Caron, M.G, Roth, B.L, Stevens, R.C, GPCR Network (GPCR) | | Deposit date: | 2014-05-31 | | Release date: | 2014-07-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs.
Nat Commun, 5, 2014
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4QIN
 | | Structure of the human smoothened receptor in complex with SAG1.5 | | Descriptor: | 3-chloro-4,7-difluoro-N-[trans-4-(methylamino)cyclohexyl]-N-[3-(pyridin-4-yl)benzyl]-1-benzothiophene-2-carboxamide, Smoothened homolog/Soluble cytochrome b562 chimeric protein | | Authors: | Wang, C, Wu, H, Evron, T, Vardy, E, Han, G.W, Huang, X.-P, Hufeisen, S.J, Mangano, T.J, Urban, D.J, Katritch, V, Cherezov, V, Caron, M.G, Roth, B.L, Stevens, R.C, GPCR Network (GPCR) | | Deposit date: | 2014-05-31 | | Release date: | 2014-07-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs.
Nat Commun, 5, 2014
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4QYY
 | | Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase State | | Descriptor: | (3R)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Deng, Y, Shipps, G.W, Cooper, A, English, J.M, Annis, D.A, Carr, D, Nan, Y, Wang, T, Zhu, Y.H, Chuang, C, Dayananth, P, Hruza, A.W, Xiao, L, Jin, W, Kirschmeier, P, Windsor, W.T, Samatar, A.A. | | Deposit date: | 2014-07-26 | | Release date: | 2014-11-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase.
J.Med.Chem., 57, 2014
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4R45
 | | Racemic crystal structure of a bimolecular DNA G-quadruplex (P-1) | | Descriptor: | 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3', POTASSIUM ION | | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I. | | Deposit date: | 2014-08-19 | | Release date: | 2014-11-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Racemic DNA crystallography.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4R4A
 | | Racemic crystal structure of a cobalt-bound B-DNA duplex | | Descriptor: | 5'-D(*CP*CP*GP*GP*TP*AP*CP*CP*GP*G)-3', COBALT (II) ION, SPERMINE | | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I. | | Deposit date: | 2014-08-19 | | Release date: | 2014-11-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Racemic DNA crystallography.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4R49
 | | Racemic crystal structure of a calcium-bound B-DNA duplex | | Descriptor: | 5'-D(*CP*CP*GP*GP*TP*AP*CP*CP*GP*G)-3', CALCIUM ION, SODIUM ION | | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I. | | Deposit date: | 2014-08-19 | | Release date: | 2014-11-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Racemic DNA crystallography.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4R48
 | | Racemic crystal structure of a calcium-bound DNA four-way junction | | Descriptor: | 5'-D(*CP*CP*GP*GP*TP*AP*CP*CP*GP*G)-3', CALCIUM ION, SODIUM ION | | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I. | | Deposit date: | 2014-08-19 | | Release date: | 2014-11-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Racemic DNA crystallography.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4R4D
 | | Racemic crystal structure of a magnesium-bound B-DNA duplex | | Descriptor: | 5'-D(*CP*CP*GP*GP*TP*AP*CP*CP*GP*G)-3', MAGNESIUM ION, SODIUM ION | | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I. | | Deposit date: | 2014-08-19 | | Release date: | 2014-11-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Racemic DNA crystallography.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4QZV
 | | Bat-derived coronavirus HKU4 uses MERS-CoV receptor human CD26 for cell entry | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ... | | Authors: | Gao, F.G, Wang, Q.H, Qi, J.X, Lu, G.W. | | Deposit date: | 2014-07-29 | | Release date: | 2014-10-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.592 Å) | | Cite: | Bat Origins of MERS-CoV Supported by Bat Coronavirus HKU4 Usage of Human Receptor CD26.
Cell Host Microbe, 16, 2014
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4R47
 | | Racemic crystal structure of a bimolecular DNA G-quadruplex (P21/n) | | Descriptor: | 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3', MAGNESIUM ION, POTASSIUM ION | | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I. | | Deposit date: | 2014-08-19 | | Release date: | 2014-11-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Racemic DNA crystallography.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4R44
 | | Racemic crystal structure of a tetramolecular DNA G-quadruplex | | Descriptor: | 5'-D(*TP*GP*GP*GP*GP*T)-3', POTASSIUM ION, SODIUM ION | | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I. | | Deposit date: | 2014-08-19 | | Release date: | 2014-11-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.695 Å) | | Cite: | Racemic DNA crystallography.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4RWA
 | | Synchrotron structure of the human delta opioid receptor in complex with a bifunctional peptide (PSI community target) | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Soluble cytochrome b562,Delta-type opioid receptor, bifunctional peptide | | Authors: | Fenalti, G, Zatsepin, N.A, Betti, C, Giguere, P, Han, G.W, Ishchenko, A, Liu, W, Guillemyn, K, Zhang, H, James, D, Wang, D, Weierstall, U, Spence, J.C.H, Boutet, S, Messerschmidt, M, Williams, G.J, Gati, C, Yefanov, O.M, White, T.A, Oberthuer, D, Metz, M, Yoon, C.H, Barty, A, Chapman, H.N, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Fromme, P, Tourwe, D, Schiller, P.W, Roth, B.L, Ballet, S, Katritch, V, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | | Deposit date: | 2014-12-01 | | Release date: | 2015-01-14 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (3.28 Å) | | Cite: | Structural basis for bifunctional peptide recognition at human delta-opioid receptor.
Nat.Struct.Mol.Biol., 22, 2015
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4RWS
 | | Crystal structure of CXCR4 and viral chemokine antagonist vMIP-II complex (PSI Community Target) | | Descriptor: | C-X-C chemokine receptor type 4/Endolysin chimeric protein, Viral macrophage inflammatory protein 2 | | Authors: | Qin, L, Kufareva, I, Holden, L, Wang, C, Zheng, Y, Wu, H, Fenalti, G, Han, G.W, Cherezov, V, Abagyan, R, Stevens, R.C, Handel, T.M, GPCR Network (GPCR) | | Deposit date: | 2014-12-05 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural biology. Crystal structure of the chemokine receptor CXCR4 in complex with a viral chemokine.
Science, 347, 2015
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4S0J
 | | Biphenylalanine modified threonyl-tRNA synthetase from Pyrococcus abyssi: 11BIF, 42F, 79S, and 123V mutant | | Descriptor: | Threonine--tRNA ligase | | Authors: | Pearson, A.D, Mills, J.H, Song, Y, Nasertorabi, F, Han, G.W, Baker, D, Stevens, R.C, Schultz, P.G. | | Deposit date: | 2014-12-31 | | Release date: | 2015-03-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Transition states. Trapping a transition state in a computationally designed protein bottle.
Science, 347, 2015
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3MIJ
 | | Crystal structure of a telomeric RNA G-quadruplex complexed with an acridine-based ligand. | | Descriptor: | N,N'-[acridine-3,6-diylbis(1H-1,2,3-triazole-1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide], POTASSIUM ION, RNA (5'-R(*UP*AP*GP*GP*GP*UP*UP*AP*GP*GP*GP*U)-3') | | Authors: | Collie, G.W, Neidle, S, Parkinson, G.N. | | Deposit date: | 2010-04-10 | | Release date: | 2011-02-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis of telomeric RNA quadruplex-acridine ligand recognition.
J.Am.Chem.Soc., 133, 2011
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