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1M1E
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BU of 1m1e by Molmil
Beta-catenin armadillo repeat domain bound to ICAT
分子名称: Beta-catenin, ICAT
著者Daniels, D.L, Weis, W.I.
登録日2002-06-18
公開日2002-10-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献ICAT inhibits Beta-catenin binding to Tcf/Lef-family transcription factors and the general coactivator p300 using independent structural modules.
Mol.Cell, 10, 2002
1KWA
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BU of 1kwa by Molmil
HUMAN CASK/LIN-2 PDZ DOMAIN
分子名称: HCASK/LIN-2 PROTEIN, SULFATE ION
著者Daniels, D.L, Cohen, A.R, Anderson, J.M, Brunger, A.T.
登録日1998-01-16
公開日1998-05-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystal structure of the hCASK PDZ domain reveals the structural basis of class II PDZ domain target recognition
Nat.Struct.Biol., 5, 1998
4KRR
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BU of 4krr by Molmil
Crystal structure of Drosophila WntD N-terminal domain-linker (residues 31-240)
分子名称: GLYCEROL, SODIUM ION, Wnt inhibitor of Dorsal protein
著者Chu, M.L.-H, Choi, H.-J, Ahn, V.E, Daniels, D.L, Nusse, R, Weis, W.I.
登録日2013-05-16
公開日2013-07-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.124 Å)
主引用文献Structural Studies of Wnts and Identification of an LRP6 Binding Site.
Structure, 21, 2013
5AD2
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BU of 5ad2 by Molmil
Bivalent binding to BET bromodomains
分子名称: (3R)-4-(2-{4-[1-(3-chloro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidinyl]phenoxy}ethyl)-1,3-dimethyl-2-piperazinone, BROMODOMAIN-CONTAINING PROTEIN 4
著者Waring, M.J, Chen, H, Rabow, A.A, Walker, G, Bobby, R, Boiko, S, Bradbury, R.H, Callis, R, Dale, I, Daniels, D, Flavell, L, Holdgate, G, Jowitt, T.A, Kikhney, A, McAlister, M, Ogg, D, Patel, J, Petteruti, P, Robb, G.R, Robers, M, Stratton, N, Svergun, D.I, Wang, W, Whittaker, D.
登録日2015-08-19
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Potent and Selective Bivalent Inhibitors of Bet Bromodomains
Nat.Chem.Biol., 12, 2016
5AD3
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BU of 5ad3 by Molmil
Bivalent binding to BET bromodomains
分子名称: 3-methoxy-N-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidyl]phenoxy]ethyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine, BROMODOMAIN-CONTAINING PROTEIN 4
著者Waring, M.J, Chen, H, Rabow, A.A, Walker, G, Bobby, R, Boiko, S, Bradbury, R.H, Callis, R, Dale, I, Daniels, D, Flavell, L, Holdgate, G, Jowitt, T.A, Kikhney, A, McAlister, M, Ogg, D, Patel, J, Petteruti, P, Robb, G.R, Robers, M, Stratton, N, Svergun, D.I, Wang, W, Whittaker, D.
登録日2015-08-19
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Potent and Selective Bivalent Inhibitors of Bet Bromodomains
Nat.Chem.Biol., 12, 2016
6HM0
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BU of 6hm0 by Molmil
Crystal structure of human BRD9 bromodomain in complex with a PROTAC
分子名称: (2~{S},4~{S})-1-[(2~{S})-2-[2-[2-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxidanylidene-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 9
著者Hughes, S.J, Zoppi, V, Ciulli, A.
登録日2018-09-11
公開日2019-01-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Iterative Design and Optimization of Initially Inactive Proteolysis Targeting Chimeras (PROTACs) Identify VZ185 as a Potent, Fast, and Selective von Hippel-Lindau (VHL) Based Dual Degrader Probe of BRD9 and BRD7.
J.Med.Chem., 62, 2019
6SWO
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C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH iBET-BD1 (GSK778)
分子名称: 1,2-ETHANEDIOL, 4-[2-(methoxymethyl)-1-[(1~{R})-1-phenylethyl]-8-[[(3~{S})-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole, Bromodomain-containing protein 2
著者Chung, C.
登録日2019-09-22
公開日2020-04-01
最終更新日2020-05-06
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Selective targeting of BD1 and BD2 of the BET proteins in cancer and immunoinflammation.
Science, 368, 2020
6SWN
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BU of 6swn by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH iBET-BD1 (GSK778)
分子名称: 1,2-ETHANEDIOL, 4-[2-(methoxymethyl)-1-[(1~{R})-1-phenylethyl]-8-[[(3~{S})-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole, Bromodomain-containing protein 4, ...
著者Chung, C.
登録日2019-09-22
公開日2020-04-01
最終更新日2020-05-06
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Selective targeting of BD1 and BD2 of the BET proteins in cancer and immunoinflammation.
Science, 368, 2020
6SWQ
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BU of 6swq by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH iBET-BD2 (GSK046)
分子名称: 1,2-ETHANEDIOL, 4-acetamido-3-fluoranyl-~{N}-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethoxy]benzamide, Bromodomain-containing protein 4
著者Chung, C.
登録日2019-09-22
公開日2020-04-01
最終更新日2020-05-06
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Selective targeting of BD1 and BD2 of the BET proteins in cancer and immunoinflammation.
Science, 368, 2020
6SWP
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BU of 6swp by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH iBET-BD2 (GSK046)
分子名称: 1,2-ETHANEDIOL, 4-acetamido-3-fluoranyl-~{N}-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethoxy]benzamide, Bromodomain-containing protein 2
著者Chung, C.
登録日2019-09-22
公開日2020-04-01
最終更新日2020-05-06
実験手法X-RAY DIFFRACTION (1.604 Å)
主引用文献Selective targeting of BD1 and BD2 of the BET proteins in cancer and immunoinflammation.
Science, 368, 2020
4Z6I
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BU of 4z6i by Molmil
Crystal structure of BRD9 bromodomain in complex with a substituted valerolactam quinolone ligand
分子名称: Bromodomain-containing protein 9, tert-butyl [(2R,3S)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxo-2-phenylpiperidin-3-yl]carbamate
著者Tallant, C, Structural Genomics Consortium (SGC), Clark, P.G.K, Vieira, L.C.C, Newman, J.A, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S.
登録日2015-04-05
公開日2015-05-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献LP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain Inhibitor.
Angew.Chem.Int.Ed.Engl., 54, 2015
4Z6H
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BU of 4z6h by Molmil
Crystal structure of BRD9 bromodomain in complex with a valerolactam quinolone ligand
分子名称: 1,4-dimethyl-7-(2-oxopiperidin-1-yl)quinolin-2(1H)-one, Bromodomain-containing protein 9
著者Tallant, C, Structural Genomics Consortium (SGC), Clark, P.G.K, Vieira, L.C.C, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S.
登録日2015-04-05
公開日2015-05-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献LP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain Inhibitor.
Angew.Chem.Int.Ed.Engl., 54, 2015
4ZQL
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BU of 4zql by Molmil
Crystal structure of TRIM24 with 3,4-dimethoxy-N-(6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)benzenesulfonamide inhibitor
分子名称: 3,4-dimethoxy-N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]benzenesulfonamide, DIMETHYL SULFOXIDE, PENTAETHYLENE GLYCOL, ...
著者Tallant, C, Structural Genomics Consortium (SGC), Clark, P.G.K, Vieira, L.C.C, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S.
登録日2015-05-10
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Crystal structure of TRIM24 with 3,4-dimethoxy-N-(6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)benzenesulfonamide inhibitor
To Be Published
4XY9
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BU of 4xy9 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 2-amine-9H-purine ligand
分子名称: 1,2-ETHANEDIOL, 6-(5-bromo-2-methoxyphenyl)-9H-purin-2-amine, Bromodomain-containing protein 4
著者Picaud, S, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC)
登録日2015-02-02
公開日2015-03-11
最終更新日2015-04-08
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献9H-Purine Scaffold Reveals Induced-Fit Pocket Plasticity of the BRD9 Bromodomain.
J.Med.Chem., 58, 2015
4XYA
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BU of 4xya by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 2-amine-9H-purine ligand
分子名称: 1,2-ETHANEDIOL, 6-(5-bromo-1-benzofuran-7-yl)-9H-purin-2-amine, Bromodomain-containing protein 4
著者Picaud, S, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC)
登録日2015-02-02
公開日2015-03-11
最終更新日2015-04-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献9H-Purine Scaffold Reveals Induced-Fit Pocket Plasticity of the BRD9 Bromodomain.
J.Med.Chem., 58, 2015
4XY8
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BU of 4xy8 by Molmil
Crystal Structure of the bromodomain of BRD9 in complex with a 2-amine-9H-purine ligand
分子名称: 6-(5-bromo-2-methoxyphenyl)-9H-purin-2-amine, BROMIDE ION, Bromodomain-containing protein 9
著者Picaud, S, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC)
登録日2015-02-02
公開日2015-03-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献9H-Purine Scaffold Reveals Induced-Fit Pocket Plasticity of the BRD9 Bromodomain.
J.Med.Chem., 58, 2015
1BFE
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BU of 1bfe by Molmil
THE THIRD PDZ DOMAIN FROM THE SYNAPTIC PROTEIN PSD-95
分子名称: PSD-95
著者Doyle, D.A, Lee, A, Lewis, J, Kim, E, Sheng, M, Mackinnon, R.
登録日1998-05-20
公開日1998-10-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of a complexed and peptide-free membrane protein-binding domain: molecular basis of peptide recognition by PDZ.
Cell(Cambridge,Mass.), 85, 1996
1BE9
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BU of 1be9 by Molmil
THE THIRD PDZ DOMAIN FROM THE SYNAPTIC PROTEIN PSD-95 IN COMPLEX WITH A C-TERMINAL PEPTIDE DERIVED FROM CRIPT.
分子名称: CRIPT, PSD-95
著者Doyle, D.A, Lee, A, Lewis, J, Kim, E, Sheng, M, Mackinnon, R.
登録日1998-05-20
公開日1998-10-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Crystal structures of a complexed and peptide-free membrane protein-binding domain: molecular basis of peptide recognition by PDZ.
Cell(Cambridge,Mass.), 85, 1996
1DO2
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BU of 1do2 by Molmil
TRIGONAL CRYSTAL FORM OF HEAT SHOCK LOCUS U (HSLU) FROM ESCHERICHIA COLI
分子名称: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PROTEIN (HEAT SHOCK LOCUS U)
著者Bochtler, M, Hartmann, C, Song, H.K, Bourenkov, G.P, Bartunik, H.D.
登録日1999-12-18
公開日2000-02-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献The structures of HsIU and the ATP-dependent protease HsIU-HsIV.
Nature, 403, 2000
1E94
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HslV-HslU from E.coli
分子名称: HEAT SHOCK PROTEIN HSLU, HEAT SHOCK PROTEIN HSLV, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Song, H.K, Hartmann, C, Ravishankar, R, Bochtler, M.
登録日2000-10-07
公開日2000-11-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mutational Studies on Hslu and its Docking Mode with Hslv
Proc.Natl.Acad.Sci.USA, 97, 2000
1G9O
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BU of 1g9o by Molmil
FIRST PDZ DOMAIN OF THE HUMAN NA+/H+ EXCHANGER REGULATORY FACTOR
分子名称: NHE-RF
著者Karthikeyan, S, Leung, T, Birrane, G, Webster, G, Ladias, J.A.A.
登録日2000-11-26
公開日2001-05-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of the PDZ1 domain of human Na(+)/H(+) exchanger regulatory factor provides insights into the mechanism of carboxyl-terminal leucine recognition by class I PDZ domains.
J.Mol.Biol., 308, 2001
1DO0
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BU of 1do0 by Molmil
ORTHORHOMBIC CRYSTAL FORM OF HEAT SHOCK LOCUS U (HSLU) FROM ESCHERICHIA COLI
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PROTEIN (HEAT SHOCK LOCUS U), ...
著者Bochtler, M, Hartmann, C, Song, H.K, Bourenkov, G.P, Bartunik, H.D.
登録日1999-12-18
公開日2000-02-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The structures of HsIU and the ATP-dependent protease HsIU-HsIV.
Nature, 403, 2000

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