5DXQ
 
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-[(1s,5s)-bicyclo[3.3.1]non-9-ylidenemethanediyl]diphenol | | Descriptor: | 4,4'-[(1s,5s)-bicyclo[3.3.1]non-9-ylidenemethanediyl]diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2015-09-23 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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5E19
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative methyl {4-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}acetate | | Descriptor: | Estrogen receptor, Nuclear receptor coactivator 2, methyl {4-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}acetate | | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2015-09-29 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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3H3M
 | | Crystal structure of flagellar protein FliT from Bordetella bronchiseptica | | Descriptor: | Flagellar protein FliT, UNKNOWN | | Authors: | Shumilin, I.A, Wang, S, Chruszcz, M, Xu, X, Le, B, Cui, H, Savchenko, A, Edwards, A.M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-04-16 | | Release date: | 2009-04-28 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of flagellar protein FliT from Bordetella bronchiseptica
To be Published
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1PXK
 | | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR N-[4-(2,4-Dimethyl-thiazol-5-yl)pyrimidin-2-yl]-N'-hydroxyiminoformamide | | Descriptor: | Cell division protein kinase 2, N-[4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-YL]-N'-HYDROXYIMIDOFORMAMIDE | | Authors: | Wu, S.Y, McNae, I, Kontopidis, G, McClue, S.J, McInnes, C, Stewart, K.J, Wang, S, Zheleva, D.I, Marriage, H, Lane, D.P, Taylor, P, Fischer, P.M, Walkinshaw, M.D. | | Deposit date: | 2003-07-04 | | Release date: | 2003-12-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop
Structure, 11, 2003
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1PXL
 | | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-(4-trifluoromethyl-phenyl)-amine | | Descriptor: | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE, Cell division protein kinase 2 | | Authors: | Wu, S.Y, McNae, I, Kontopidis, G, McClue, S.J, McInnes, C, Stewart, K.J, Wang, S, Zheleva, D.I, Marriage, H, Lane, D.P, Taylor, P, Fischer, P.M, Walkinshaw, M.D. | | Deposit date: | 2003-07-04 | | Release date: | 2003-12-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop
Structure, 11, 2003
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3QYC
 | | Structure of a dimeric anti-HER2 single domain antibody | | Descriptor: | VH domain of IgG molecule | | Authors: | Baral, T.N, Chao, S, Li, S, Tanha, J, Arbabai, M, Wang, S, Zhang, J. | | Deposit date: | 2011-03-03 | | Release date: | 2012-02-08 | | Last modified: | 2014-02-05 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of a Human Single Domain Antibody Dimer Formed through V(H)-V(H) Non-Covalent Interactions.
Plos One, 7, 2012
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3R0J
 | | Structure of PhoP from Mycobacterium tuberculosis | | Descriptor: | POSSIBLE TWO COMPONENT SYSTEM RESPONSE TRANSCRIPTIONAL POSITIVE REGULATOR PHOP, R-1,2-PROPANEDIOL, SULFATE ION | | Authors: | Menon, S, Wang, S. | | Deposit date: | 2011-03-08 | | Release date: | 2011-07-13 | | Last modified: | 2014-10-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the Response Regulator PhoP from Mycobacterium tuberculosis Reveals a Dimer through the Receiver Domain.
Biochemistry, 50, 2011
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3N99
 | | Crystal structure of TM1086 | | Descriptor: | CHLORIDE ION, uncharacterized protein TM1086 | | Authors: | Chruszcz, M, Domagalski, M.J, Wang, S, Evdokimova, E, Kudritska, M, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-05-28 | | Release date: | 2010-06-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Crystal structure of TM1086
To be Published
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3OH9
 | | AlkA Undamaged DNA Complex: Interrogation of a T:A base pair | | Descriptor: | 5'-D(*AP*CP*AP*(BRU)P*GP*AP*AP*(BRU)P*GP*CP*C)-3', 5'-D(*GP*GP*CP*AP*TP*TP*CP*AP*TP*GP*T)-3', DNA-3-methyladenine glycosylase 2 | | Authors: | Bowman, B.R, Lee, S, Wang, S, Verdine, G.L. | | Deposit date: | 2010-08-17 | | Release date: | 2010-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.802 Å) | | Cite: | Structure of Escherichia coli AlkA in Complex with Undamaged DNA.
J.Biol.Chem., 285, 2010
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8WX8
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8WWC
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3OGD
 | | AlkA Undamaged DNA Complex: Interrogation of a G*:C base pair | | Descriptor: | 5'-D(*CP*AP*(BRU)P*GP*AP*CP*(BRU)P*GP*C)-3', 5'-D(*GP*CP*AP*GP*TP*CP*AP*TP*G)-3', DNA-3-methyladenine glycosylase 2 | | Authors: | Bowman, B.R, Lee, S, Wang, S, Verdine, G.L. | | Deposit date: | 2010-08-16 | | Release date: | 2010-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of Escherichia coli AlkA in Complex with Undamaged DNA.
J.Biol.Chem., 285, 2010
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4Y49
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3DCA
 | | Crystal structure of the RPA0582- protein of unknown function from Rhodopseudomonas palustris- a structural genomics target | | Descriptor: | RPA0582, SULFATE ION | | Authors: | Sledz, P, Wang, S, Chruszcz, M, Yim, V, Kudritska, M, Evdokimova, E, Turk, D, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-06-03 | | Release date: | 2008-08-05 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Crystal structure of the RPA0582- protein of unknown function from Rhodopseudomonas palustris- a structural genomics target
To be Published
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4YRY
 | | Insights into flavin-based electron bifurcation via the NADH-dependent reduced ferredoxin-NADP oxidoreductase structure | | Descriptor: | Dihydroorotate dehydrogenase B (NAD(+)), electron transfer subunit homolog, Dihydropyrimidine dehydrogenase subunit A, ... | | Authors: | Ermler, U, Thauer, R.K, Demmer, J.K, Huang, H, Wang, S, Demmer, U. | | Deposit date: | 2015-03-16 | | Release date: | 2015-07-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Insights into Flavin-based Electron Bifurcation via the NADH-dependent Reduced Ferredoxin:NADP Oxidoreductase Structure.
J.Biol.Chem., 290, 2015
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4YLF
 | | Insights into flavin-based electron bifurcation via the NADH-dependent reduced ferredoxin-NADP oxidoreductase structure | | Descriptor: | Dihydroorotate dehydrogenase B (NAD(+)), electron transfer subunit homolog, Dihydropyrimidine dehydrogenase subunit A, ... | | Authors: | Ermler, U, Thauer, R.K, Demmer, J.K, Huang, H, Wang, S, Demmer, U. | | Deposit date: | 2015-03-05 | | Release date: | 2015-07-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Insights into Flavin-based Electron Bifurcation via the NADH-dependent Reduced Ferredoxin:NADP Oxidoreductase Structure.
J.Biol.Chem., 290, 2015
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6DRZ
 | | Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8alpha)-N-[(2S)-1-hydroxybutan-2-yl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide, 5HT2B receptor, ... | | Authors: | McCorvy, J.D, Wacker, D, Wang, S, Agegnehu, B, Liu, J, Lansu, K, Tribo, A.R, Olsen, R.H.J, Che, T, Jin, J, Roth, B.L. | | Deposit date: | 2018-06-13 | | Release date: | 2018-08-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.102 Å) | | Cite: | Structural determinants of 5-HT2Breceptor activation and biased agonism.
Nat. Struct. Mol. Biol., 25, 2018
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6DRY
 | | Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide, 5HT2B receptor, ... | | Authors: | McCorvy, J.D, Wacker, D, Wang, S, Agegnehu, B, Liu, J, Lansu, K, Tribo, A.R, Olsen, R.H.J, Che, T, Jin, J, Roth, B.L. | | Deposit date: | 2018-06-13 | | Release date: | 2018-08-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.918 Å) | | Cite: | Structural determinants of 5-HT2Breceptor activation and biased agonism.
Nat. Struct. Mol. Biol., 25, 2018
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6DRX
 | | Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5HT2B receptor, BRIL chimera, ... | | Authors: | McCorvy, J.D, Wacker, D, Wang, S, Agegnehu, B, Liu, J, Lansu, K, Tribo, A.R, Olsen, R.H.J, Che, T, Jin, J, Roth, B.L. | | Deposit date: | 2018-06-13 | | Release date: | 2018-08-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural determinants of 5-HT2Breceptor activation and biased agonism.
Nat. Struct. Mol. Biol., 25, 2018
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6DS0
 | | Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor | | Descriptor: | (1S)-1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-beta-carboline, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5HT2B receptor, ... | | Authors: | McCorvy, J.D, Wacker, D, Wang, S, Agegnehu, B, Liu, J, Lansu, K, Tribo, A.R, Olsen, R.H.J, Che, T, Jin, J, Roth, B.L. | | Deposit date: | 2018-06-13 | | Release date: | 2018-08-29 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.188 Å) | | Cite: | Structural determinants of 5-HT2Breceptor activation and biased agonism.
Nat. Struct. Mol. Biol., 25, 2018
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3FZV
 | | Crystal structure of PA01 protein, putative LysR family transcriptional regulator from Pseudomonas aeruginosa | | Descriptor: | Probable transcriptional regulator, SULFATE ION | | Authors: | Knapik, A.A, Tkaczuk, K.L, Chruszcz, M, Wang, S, Zimmerman, M.D, Cymborowski, M, Skarina, T, Kagan, O, Savchenko, A, Edwards, A.M, Joachimiak, A, Bujnicki, J.M, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-01-26 | | Release date: | 2009-03-10 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Crystal structure of PA01 protein, putative LysR family transcriptional regulator from Pseudomonas aeruginosa
To be Published
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5TJA
 | | I-II linker of TRPML1 channel at pH 6 | | Descriptor: | Mucolipin-1 | | Authors: | Li, M, Zhang, W.K, Benvin, N.M, Zhou, X, Su, D, Li, H, Wang, S, Michailidis, I.E, Tong, L, Li, X, Yang, J. | | Deposit date: | 2016-10-04 | | Release date: | 2017-01-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis of dual Ca(2+)/pH regulation of the endolysosomal TRPML1 channel.
Nat. Struct. Mol. Biol., 24, 2017
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5TJC
 | | I-II linker of TRPML1 channel at pH 7.5 | | Descriptor: | Mucolipin-1 | | Authors: | Li, M, Zhang, W.K, Benvin, N.M, Zhou, X, Su, D, Li, H, Wang, S, Michailidis, I.E, Tong, L, Li, X, Yang, J. | | Deposit date: | 2016-10-04 | | Release date: | 2017-01-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis of dual Ca(2+)/pH regulation of the endolysosomal TRPML1 channel.
Nat. Struct. Mol. Biol., 24, 2017
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5TVN
 | | Crystal structure of the LSD-bound 5-HT2B receptor | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, CHOLESTEROL, ... | | Authors: | Wacker, D, Wang, S, McCorvy, J.D, Betz, R.M, Venkatakrishnan, A.J, Levit, A, Lansu, K, Schools, Z.L, Che, T, Nichols, D.E, Shoichet, B.K, Dror, R.O, Roth, B.L. | | Deposit date: | 2016-11-09 | | Release date: | 2017-02-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structure of an LSD-Bound Human Serotonin Receptor.
Cell, 168, 2017
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7WC5
 | | Crystal structure of serotonin 2A receptor in complex with psilocin | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-ol, 5-hydroxytryptamine receptor 2A, ... | | Authors: | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | | Deposit date: | 2021-12-18 | | Release date: | 2022-01-26 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022
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