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5DXQ
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BU of 5dxq by Molmil
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
分子名称: 4,4'-[(1s,5s)-bicyclo[3.3.1]non-9-ylidenemethanediyl]diphenol, Estrogen receptor, Nuclear receptor coactivator 2
著者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.
登録日2015-09-23
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5E19
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Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative methyl {4-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}acetate
分子名称: Estrogen receptor, Nuclear receptor coactivator 2, methyl {4-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}acetate
著者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.
登録日2015-09-29
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
3H3M
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BU of 3h3m by Molmil
Crystal structure of flagellar protein FliT from Bordetella bronchiseptica
分子名称: Flagellar protein FliT, UNKNOWN
著者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)
登録日2009-04-16
公開日2009-04-28
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of flagellar protein FliT from Bordetella bronchiseptica
To be Published
1PXK
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BU of 1pxk by Molmil
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR N-[4-(2,4-Dimethyl-thiazol-5-yl)pyrimidin-2-yl]-N'-hydroxyiminoformamide
分子名称: Cell division protein kinase 2, N-[4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-YL]-N'-HYDROXYIMIDOFORMAMIDE
著者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.
登録日2003-07-04
公開日2003-12-09
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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
1PXL
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BU of 1pxl by Molmil
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-(4-trifluoromethyl-phenyl)-amine
分子名称: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE, Cell division protein kinase 2
著者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.
登録日2003-07-04
公開日2003-12-09
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
3QYC
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BU of 3qyc by Molmil
Structure of a dimeric anti-HER2 single domain antibody
分子名称: VH domain of IgG molecule
著者Baral, T.N, Chao, S, Li, S, Tanha, J, Arbabai, M, Wang, S, Zhang, J.
登録日2011-03-03
公開日2012-02-08
最終更新日2014-02-05
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of a Human Single Domain Antibody Dimer Formed through V(H)-V(H) Non-Covalent Interactions.
Plos One, 7, 2012
3R0J
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BU of 3r0j by Molmil
Structure of PhoP from Mycobacterium tuberculosis
分子名称: POSSIBLE TWO COMPONENT SYSTEM RESPONSE TRANSCRIPTIONAL POSITIVE REGULATOR PHOP, R-1,2-PROPANEDIOL, SULFATE ION
著者Menon, S, Wang, S.
登録日2011-03-08
公開日2011-07-13
最終更新日2014-10-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the Response Regulator PhoP from Mycobacterium tuberculosis Reveals a Dimer through the Receiver Domain.
Biochemistry, 50, 2011
3N99
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BU of 3n99 by Molmil
Crystal structure of TM1086
分子名称: CHLORIDE ION, uncharacterized protein TM1086
著者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)
登録日2010-05-28
公開日2010-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Crystal structure of TM1086
To be Published
3OH9
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BU of 3oh9 by Molmil
AlkA Undamaged DNA Complex: Interrogation of a T:A base pair
分子名称: 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
著者Bowman, B.R, Lee, S, Wang, S, Verdine, G.L.
登録日2010-08-17
公開日2010-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.802 Å)
主引用文献Structure of Escherichia coli AlkA in Complex with Undamaged DNA.
J.Biol.Chem., 285, 2010
8WX8
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De novo design protein -T09
分子名称: De novo design protein -T09
著者Wang, C, Wang, S, Liu, Y.
登録日2023-10-27
公開日2024-10-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献De novo design protein -T09
To Be Published
8WWC
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BU of 8wwc by Molmil
De novo design binder of HRAS -120-4
分子名称: De novo design protein 120-4, GTPase HRas, MAGNESIUM ION, ...
著者Wang, L, Wang, S, Liu, Y.
登録日2023-10-25
公開日2024-10-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献De novo design HRAS binder 120-4
To Be Published
3OGD
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BU of 3ogd by Molmil
AlkA Undamaged DNA Complex: Interrogation of a G*:C base pair
分子名称: 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
著者Bowman, B.R, Lee, S, Wang, S, Verdine, G.L.
登録日2010-08-16
公開日2010-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of Escherichia coli AlkA in Complex with Undamaged DNA.
J.Biol.Chem., 285, 2010
4Y49
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BU of 4y49 by Molmil
Crystal structure of yeast N-terminal acetyltransferase (ppGpp) NatE in complex with a bisubstrate
分子名称: ACETYL COENZYME *A, ALA-ALA-ALA-ALA-ALA-ALA, CARBOXYMETHYL COENZYME *A, ...
著者Dong, J, Wang, S, York, J.D.
登録日2015-02-10
公開日2016-07-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.95 Å)
主引用文献Crystal structure of yeast N-terminal acetyltransferase (ppGpp) NatE in complex with a bisubstrate
To Be Published
3DCA
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BU of 3dca by Molmil
Crystal structure of the RPA0582- protein of unknown function from Rhodopseudomonas palustris- a structural genomics target
分子名称: RPA0582, SULFATE ION
著者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)
登録日2008-06-03
公開日2008-08-05
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Crystal structure of the RPA0582- protein of unknown function from Rhodopseudomonas palustris- a structural genomics target
To be Published
4YRY
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BU of 4yry by Molmil
Insights into flavin-based electron bifurcation via the NADH-dependent reduced ferredoxin-NADP oxidoreductase structure
分子名称: Dihydroorotate dehydrogenase B (NAD(+)), electron transfer subunit homolog, Dihydropyrimidine dehydrogenase subunit A, ...
著者Ermler, U, Thauer, R.K, Demmer, J.K, Huang, H, Wang, S, Demmer, U.
登録日2015-03-16
公開日2015-07-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Insights into Flavin-based Electron Bifurcation via the NADH-dependent Reduced Ferredoxin:NADP Oxidoreductase Structure.
J.Biol.Chem., 290, 2015
4YLF
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BU of 4ylf by Molmil
Insights into flavin-based electron bifurcation via the NADH-dependent reduced ferredoxin-NADP oxidoreductase structure
分子名称: Dihydroorotate dehydrogenase B (NAD(+)), electron transfer subunit homolog, Dihydropyrimidine dehydrogenase subunit A, ...
著者Ermler, U, Thauer, R.K, Demmer, J.K, Huang, H, Wang, S, Demmer, U.
登録日2015-03-05
公開日2015-07-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Insights into Flavin-based Electron Bifurcation via the NADH-dependent Reduced Ferredoxin:NADP Oxidoreductase Structure.
J.Biol.Chem., 290, 2015
6DRZ
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BU of 6drz by Molmil
Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor
分子名称: (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, ...
著者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.
登録日2018-06-13
公開日2018-08-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.102 Å)
主引用文献Structural determinants of 5-HT2Breceptor activation and biased agonism.
Nat. Struct. Mol. Biol., 25, 2018
6DRY
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BU of 6dry by Molmil
Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide, 5HT2B receptor, ...
著者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.
登録日2018-06-13
公開日2018-08-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.918 Å)
主引用文献Structural determinants of 5-HT2Breceptor activation and biased agonism.
Nat. Struct. Mol. Biol., 25, 2018
6DRX
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BU of 6drx by Molmil
Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5HT2B receptor, BRIL chimera, ...
著者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.
登録日2018-06-13
公開日2018-08-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural determinants of 5-HT2Breceptor activation and biased agonism.
Nat. Struct. Mol. Biol., 25, 2018
6DS0
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BU of 6ds0 by Molmil
Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor
分子名称: (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, ...
著者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.
登録日2018-06-13
公開日2018-08-29
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.188 Å)
主引用文献Structural determinants of 5-HT2Breceptor activation and biased agonism.
Nat. Struct. Mol. Biol., 25, 2018
3FZV
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BU of 3fzv by Molmil
Crystal structure of PA01 protein, putative LysR family transcriptional regulator from Pseudomonas aeruginosa
分子名称: Probable transcriptional regulator, SULFATE ION
著者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)
登録日2009-01-26
公開日2009-03-10
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Crystal structure of PA01 protein, putative LysR family transcriptional regulator from Pseudomonas aeruginosa
To be Published
5TJA
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BU of 5tja by Molmil
I-II linker of TRPML1 channel at pH 6
分子名称: Mucolipin-1
著者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.
登録日2016-10-04
公開日2017-01-25
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of dual Ca(2+)/pH regulation of the endolysosomal TRPML1 channel.
Nat. Struct. Mol. Biol., 24, 2017
5TJC
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I-II linker of TRPML1 channel at pH 7.5
分子名称: Mucolipin-1
著者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.
登録日2016-10-04
公開日2017-01-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis of dual Ca(2+)/pH regulation of the endolysosomal TRPML1 channel.
Nat. Struct. Mol. Biol., 24, 2017
5TVN
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BU of 5tvn by Molmil
Crystal structure of the LSD-bound 5-HT2B receptor
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, CHOLESTEROL, ...
著者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.
登録日2016-11-09
公開日2017-02-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structure of an LSD-Bound Human Serotonin Receptor.
Cell, 168, 2017
7WC5
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Crystal structure of serotonin 2A receptor in complex with psilocin
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-ol, 5-hydroxytryptamine receptor 2A, ...
著者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.
登録日2021-12-18
公開日2022-01-26
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022

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