3PS5
 
 | | Crystal structure of the full-length Human Protein Tyrosine Phosphatase SHP-1 | | Descriptor: | SULFATE ION, Tyrosine-protein phosphatase non-receptor type 6 | | Authors: | Wang, W, Liu, L, Song, X, Mo, Y, Komma, C, Bellamy, H.D, Zhao, Z.J, Zhou, G.W. | | Deposit date: | 2010-11-30 | | Release date: | 2011-04-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal structure of human protein tyrosine phosphatase SHP-1 in the open conformation.
J.Cell.Biochem., 112, 2011
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3PME
 | | Crystal structure of the receptor binding domain of botulinum neurotoxin C/D mosaic serotype | | Descriptor: | GLYCEROL, SULFATE ION, Type C neurotoxin | | Authors: | Zhang, Y, Buchko, G.W, Qin, L, Robinson, H, Varnum, S.M, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2010-11-16 | | Release date: | 2010-12-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Crystal structure of the receptor binding domain of the botulinum C-D mosaic neurotoxin reveals potential roles of lysines 1118 and 1136 in membrane interactions.
Biochem.Biophys.Res.Commun., 404, 2011
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3RZE
 | | Structure of the human histamine H1 receptor in complex with doxepin | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (3E)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine, (3Z)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine, ... | | Authors: | Shimamura, T, Han, G.W, Shiroishi, M, Weyand, S, Tsujimoto, H, Winter, G, Katritch, V, Abagyan, R, Cherezov, V, Liu, W, Kobayashi, T, Stevens, R, Iwata, S, GPCR Network (GPCR) | | Deposit date: | 2011-05-11 | | Release date: | 2011-06-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of the human histamine H1 receptor complex with doxepin.
Nature, 475, 2011
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3SC8
 | | Crystal structure of an intramolecular human telomeric DNA G-quadruplex bound by the naphthalene diimide BMSG-SH-3 | | Descriptor: | 2,7-bis[3-(4-methylpiperazin-1-yl)propyl]-4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, Human telomeric repeat sequence, POTASSIUM ION | | Authors: | Collie, G.W, Promontorio, R, Parkinson, G.N. | | Deposit date: | 2011-06-07 | | Release date: | 2012-02-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.302 Å) | | Cite: | Structural basis for telomeric g-quadruplex targeting by naphthalene diimide ligands.
J.Am.Chem.Soc., 134, 2012
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3S2Y
 | | Crystal structure of a chromate/uranium reductase from Gluconacetobacter hansenii | | Descriptor: | CHLORIDE ION, Chromate reductase, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Jin, H, Zhang, Y, Buchko, G.W, Li, P, Squier, T.C, Robinson, H, Varnum, S.M, Long, P.E. | | Deposit date: | 2011-05-17 | | Release date: | 2012-05-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.244 Å) | | Cite: | Structure Determination and Functional Analysis of a Chromate Reductase from Gluconacetobacter hansenii.
Plos One, 7, 2012
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3QIX
 | | Crystal Structure of BoNT/A LC with Zinc bound | | Descriptor: | 1,2-ETHANEDIOL, Botulinum neurotoxin type A, ZINC ION | | Authors: | Thompson, A.A, Han, G.W, Stevens, R.C. | | Deposit date: | 2011-01-28 | | Release date: | 2011-04-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.413 Å) | | Cite: | Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility.
Biochemistry, 50, 2011
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6XF7
 | | SLP | | Descriptor: | Lambda 1 protein | | Authors: | Sutton, G, Sun, D.P, Fu, X.F, Kotecha, A, Hecksel, G.W, Clare, D.K, Zhang, P, Stuart, D, Boyce, M. | | Deposit date: | 2020-06-15 | | Release date: | 2020-09-23 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (6.6 Å) | | Cite: | Assembly intermediates of orthoreovirus captured in the cell.
Nat Commun, 11, 2020
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4WOP
 | | Nucleotide Triphosphate Promiscuity in Mycobacterium tuberculosis Dethiobiotin Synthetase | | Descriptor: | ATP-dependent dethiobiotin synthetase BioD, CYTIDINE-5'-TRIPHOSPHATE, SULFATE ION | | Authors: | Salaemae, W, Yap, M.Y, Wegener, K.L, Booker, G.W, Wilce, M.C.J, Polyak, S.W. | | Deposit date: | 2014-10-16 | | Release date: | 2015-04-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.393 Å) | | Cite: | Nucleotide triphosphate promiscuity in Mycobacterium tuberculosis dethiobiotin synthetase.
Tuberculosis (Edinb), 95, 2015
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3CLA
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3CVM
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4XNW
 | | The human P2Y1 receptor in complex with MRS2500 | | Descriptor: | P2Y purinoceptor 1,Rubredoxin,P2Y purinoceptor 1, ZINC ION, [(1R,2S,4S,5S)-4-[2-iodo-6-(methylamino)-9H-purin-9-yl]-2-(phosphonooxy)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate | | Authors: | Zhang, D, Gao, Z, Jacobson, K, Han, G.W, Stevens, R, Zhao, Q, Wu, B, GPCR Network (GPCR) | | Deposit date: | 2015-01-16 | | Release date: | 2015-04-01 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Two disparate ligand-binding sites in the human P2Y1 receptor
Nature, 520, 2015
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6XF8
 | | DLP 5 fold | | Descriptor: | Inner capsid protein lambda-1, Inner capsid protein sigma-2, Outer capsid protein mu-1, ... | | Authors: | Sutton, G, Sun, D.P, Fu, X.F, Kotecha, A, Hecksel, G.W, Clare, D.K, Zhang, P, Stuart, D, Boyce, M. | | Deposit date: | 2020-06-15 | | Release date: | 2020-09-23 | | Method: | ELECTRON MICROSCOPY (6.5 Å) | | Cite: | Assembly intermediates of orthoreovirus captured in the cell.
Nat Commun, 11, 2020
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6Z45
 | | CDK9-Cyclin-T1 complex bound by compound 24 | | Descriptor: | (1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cyclin-T1, ... | | Authors: | Ferguson, A, Collie, G.W. | | Deposit date: | 2020-05-22 | | Release date: | 2020-12-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.37 Å) | | Cite: | Discovery of AZD4573, a Potent and Selective Inhibitor of CDK9 That Enables Short Duration of Target Engagement for the Treatment of Hematological Malignancies.
J.Med.Chem., 63, 2020
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4XYX
 | | NanB plus Optactamide | | Descriptor: | Optactamide, PHOSPHATE ION, Sialidase B | | Authors: | Rogers, G.W, Brear, P, Yang, L, Taylor, G.L, Westwood, N.J. | | Deposit date: | 2015-02-03 | | Release date: | 2016-02-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To Be Published
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4XNV
 | | The human P2Y1 receptor in complex with BPTU | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea, CHOLESTEROL, ... | | Authors: | Zhang, D, Gao, Z, Jacobson, K, Han, G.W, Stevens, R, Zhao, Q, Wu, B, GPCR Network (GPCR) | | Deposit date: | 2015-01-16 | | Release date: | 2015-04-01 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Two disparate ligand-binding sites in the human P2Y1 receptor
Nature, 520, 2015
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3CSX
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6X94
 | | An orthogonal seryl-tRNA synthetase/tRNA pair for noncanonical amino acid mutagenesis in Escherichia coli | | Descriptor: | 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Zambaldo, C, Koh, M, Nasertorabi, F, Han, G.W, Chatterjee, A, Stevens, R.C, Schultz, P.G. | | Deposit date: | 2020-06-02 | | Release date: | 2020-11-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | An orthogonal seryl-tRNA synthetase/tRNA pair for noncanonical amino acid mutagenesis in Escherichia coli.
Bioorg.Med.Chem., 28, 2020
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3FKS
 | | Yeast F1 ATPase in the absence of bound nucleotides | | Descriptor: | ATP synthase subunit alpha, mitochondrial, ATP synthase subunit beta, ... | | Authors: | Kabaleeswaran, V, Symersky, J, Shen, H, Walker, J.E, Leslie, A.G.W, Mueller, D.M. | | Deposit date: | 2008-12-17 | | Release date: | 2009-03-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.587 Å) | | Cite: | Asymmetric structure of the yeast f1 ATPase in the absence of bound nucleotides.
J.Biol.Chem., 284, 2009
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4L6R
 | | Structure of the class B human glucagon G protein coupled receptor | | Descriptor: | DI(HYDROXYETHYL)ETHER, Soluble cytochrome b562 and Glucagon receptor chimera | | Authors: | Siu, F.Y, He, M, de Graaf, C, Han, G.W, Yang, D, Zhang, Z, Zhou, C, Xu, Q, Wacker, D, Joseph, J.S, Liu, W, Lau, J, Cherezov, V, Katritch, V, Wang, M.W, Stevens, R.C, GPCR Network (GPCR) | | Deposit date: | 2013-06-12 | | Release date: | 2013-07-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure of the human glucagon class B G-protein-coupled receptor.
Nature, 499, 2013
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4JKV
 | | Structure of the human smoothened 7TM receptor in complex with an antitumor agent | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-fluoro-N-methyl-N-{1-[4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl]piperidin-4-yl}-2-(trifluoromethyl)benzamide, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Wang, C, Wu, H, Katritch, V, Han, G.W, Huang, X, Liu, W, Siu, F.Y, Roth, B.L, Cherezov, V, Stevens, R.C, GPCR Network (GPCR) | | Deposit date: | 2013-03-11 | | Release date: | 2013-04-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure of the human smoothened receptor bound to an antitumour agent.
Nature, 497, 2013
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4J5P
 | | Crystal Structure of a Covalently Bound alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to a Humanized Variant of Fatty Acid Amide Hydrolase | | Descriptor: | (1S)-1-{5-[5-(bromomethyl)pyridin-2-yl]-1,3-oxazol-2-yl}-7-phenylheptan-1-ol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Otrubova, K, Brown, M, McCormick, M.S, Han, G.W, O'Neal, S.T, Cravatt, B.F, Stevens, R.C, Lichtman, A.H, Boger, D.L. | | Deposit date: | 2013-02-08 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Rational design of Fatty Acid amide hydrolase inhibitors that act by covalently bonding to two active site residues.
J.Am.Chem.Soc., 135, 2013
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4LIS
 | | Crystal Structure of UDP-galactose-4-epimerase from Aspergillus nidulans | | Descriptor: | GLYCEROL, IODIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Dalrymple, S.A, Ko, J, Sheoran, I, Kaminskyj, S.G.W, Sanders, D.A.R. | | Deposit date: | 2013-07-03 | | Release date: | 2013-10-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Elucidation of Substrate Specificity in Aspergillus nidulans UDP-Galactose-4-Epimerase.
Plos One, 8, 2013
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4IAQ
 | | Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with dihydroergotamine (PSI Community Target) | | Descriptor: | Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562, Dihydroergotamine | | Authors: | Wang, C, Jiang, Y, Ma, J, Wu, H, Wacker, D, Katritch, V, Han, G.W, Liu, W, Huang, X, Vardy, E, McCorvy, J.D, Gao, X, Zhou, E.X, Melcher, K, Zhang, C, Bai, F, Yang, H, Yang, L, Jiang, H, Roth, B.L, Cherezov, V, Stevens, R.C, Xu, H.E, GPCR Network (GPCR) | | Deposit date: | 2012-12-07 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for molecular recognition at serotonin receptors.
Science, 340, 2013
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4IB4
 | | Crystal structure of the chimeric protein of 5-HT2B-BRIL in complex with ergotamine | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, ... | | Authors: | Wacker, D, Wang, C, Katritch, V, Han, G.W, Huang, X, Vardy, E, McCorvy, J.D, Jiang, Y, Chu, M, Siu, F.Y, Liu, W, Xu, H.E, Cherezov, V, Roth, B.L, Stevens, R.C, GPCR Network (GPCR) | | Deposit date: | 2012-12-07 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural features for functional selectivity at serotonin receptors.
Science, 340, 2013
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6AMR
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