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PDB: 3971 件
6C2F
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BU of 6c2f by Molmil
MBD2 in complex with methylated DNA
分子名称: 12-mer DNA, Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION
著者Liu, K, Xu, C, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
登録日2018-01-08
公開日2018-02-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献MBD2 in complex with methylated DNA
to be published
6Y5V
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BU of 6y5v by Molmil
Structure of Human Potassium Chloride Transporter KCC3b (S45D/T940D/T997D) in KCl
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Solute carrier family 12 member 6, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Chi, G, Man, H, Ebenhoch, R, Reggiano, G, Pike, A.C.W, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Singh, N.K, Abrusci, P, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, DiMaio, F, Duerr, K.L.
登録日2020-02-25
公開日2020-07-15
最終更新日2021-07-28
実験手法ELECTRON MICROSCOPY (4.08 Å)
主引用文献Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters.
Embo J., 40, 2021
2XD7
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Crystal structure of the macro domain of human core histone H2A
分子名称: CORE HISTONE MACRO-H2A.2
著者Vollmar, M, Phillips, C, Carpenter, E.P, Muniz, J.R.C, Krojer, T, Ugochukwu, E, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Gileadi, O.
登録日2010-04-29
公開日2010-05-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Crystal Structure of the Macro Domain of Human Core Histone H2A
To be Published
8OU2
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Crystal structure of the bromodomain of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to a potent inhibitor
分子名称: 1,2-ETHANEDIOL, 7-(1-cyclopropylpyrazol-4-yl)-2-[[2-fluoranyl-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]amino]-3-methyl-pyrido[1,2-a]pyrimidin-4-one, DIMETHYL SULFOXIDE, ...
著者Balikci, E, Ni, X, Bountra, C, von Delft, F, Huber, K.
登録日2023-04-21
公開日2024-05-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of the bromodomain of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to a potent inhibitor
To Be Published
4MR5
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Crystal Structure of the second bromodomain of human BRD2 in complex with a quinazolinone ligand (RVX-OH)
分子名称: 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 2, ...
著者Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-09-17
公開日2013-11-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Proc.Natl.Acad.Sci.USA, 110, 2013
4MR3
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Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolinone ligand (RVX-OH)
分子名称: 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4
著者Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-09-17
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Proc.Natl.Acad.Sci.USA, 110, 2013
4MR6
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Crystal Structure of the second bromodomain of human BRD2 in complex with a quinazolinone ligand (RVX-208)
分子名称: 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 2, ...
著者Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-09-17
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Proc.Natl.Acad.Sci.USA, 110, 2013
3KR8
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Human tankyrase 2 - catalytic PARP domain in complex with an inhibitor XAV939
分子名称: 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol, GLYCEROL, SULFATE ION, ...
著者Karlberg, T, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Kotzsch, A, Kraulis, P, Nielsen, T.K, Moche, M, Nordlund, P, Nyman, T, Persson, C, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC)
登録日2009-11-18
公開日2009-12-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for the interaction between tankyrase-2 and a potent Wnt-signaling inhibitor.
J.Med.Chem., 53, 2010
3KR7
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Human tankyrase 2 - catalytic PARP domain
分子名称: GLYCEROL, SULFATE ION, Tankyrase-2, ...
著者Karlberg, T, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Kotzsch, A, Kraulis, P, Nielsen, T.K, Moche, M, Nordlund, P, Nyman, T, Persson, C, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC)
登録日2009-11-18
公開日2009-12-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for the interaction between tankyrase-2 and a potent Wnt-signaling inhibitor.
J.Med.Chem., 53, 2010
5J1V
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BU of 5j1v by Molmil
Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW29 (compound 13)
分子名称: Dual specificity protein kinase CLK1, GLYCEROL, pyrido[3,4-g]quinazoline-2,10-diamine
著者Chaikuad, A, Esvan, Y.J, Zeinyeh, W, Boibessot, T, Nauton, L, Thery, V, Loaec, N, Meijer, L, Giraud, F, Moreau, P, Anizon, F, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC)
登録日2016-03-29
公開日2016-05-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure.
Eur.J.Med.Chem., 118, 2016
3KUF
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BU of 3kuf by Molmil
The Crystal Structure of the Tudor Domains from FXR1
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Fragile X mental retardation syndrome-related protein 1, GLYCEROL
著者Bian, C, Guo, Y.H, Adams-Cioaba, M.A, Mackenzie, F, Kozieradzki, I, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
登録日2009-11-27
公開日2010-01-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the Tudor domains from Fragile X mental retardation syndrome-related protein 1
To be Published
4UML
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BU of 4uml by Molmil
Crystal structure of ganglioside induced differentiation associated protein 2 (GDAP2) macro domain
分子名称: GANGLIOSIDE-INDUCED DIFFERENTIATION-ASSOCIATED PROTEIN 2
著者Elkins, J.M, Wang, J, Kopec, J, Wang, D, Strain-Damerell, C, Shrestha, L, Sieg, C, Tallant, C, Newman, J.A, von Delft, F, Bountra, C, Edwards, A, Knapp, S.
登録日2014-05-19
公開日2014-05-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of Gdap2
To be Published
8RU5
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BU of 8ru5 by Molmil
ATPase family AAA domain containing 2 with crystallization epitope mutations V1022R:Q1027E
分子名称: 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2
著者Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC)
登録日2024-01-30
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants
To Be Published
8RU1
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Chromatin remodeling regulator CECR2 with in crystallo disulfide bond
分子名称: Chromatin remodeling regulator CECR2, GLYCEROL, SODIUM ION
著者Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC)
登録日2024-01-29
公開日2024-03-06
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants
To Be Published
4XWX
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BU of 4xwx by Molmil
Crystal structure of the PTB domain of SHC
分子名称: 1,2-ETHANEDIOL, SHC-transforming protein 1, SODIUM ION
著者Chaikuad, A, Tallant, C, Krojer, T, Dixon-Clarke, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2015-01-29
公開日2015-02-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Crystal structure of the PTB domain of SHC
To Be Published
2YPS
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BU of 2yps by Molmil
Crystal structure of the PX domain of human sorting nexin 3
分子名称: SORTING NEXIN-3
著者Canning, P, Kiyani, W, Froese, D.S, Krojer, T, Strain-Damerell, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Yue, W.W.
登録日2012-10-31
公開日2013-03-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of the Px Domain of Human Sorting Nexin 3
To be Published
5JUW
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complex of Dot1l with SS148
分子名称: (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Yu, W, Tempel, W, Li, Y, Spurr, S.S, Bayle, E.D, Fish, P.V, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2016-05-10
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Complex of Dot1l with SS148
To Be Published
2YBX
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BU of 2ybx by Molmil
Crystal Structure of Human Phosphatidylinositol-5-phosphate 4-kinase type-2 alpha
分子名称: PHOSPHATE ION, PHOSPHATIDYLINOSITOL-5-PHOSPHATE 4-KINASE TYPE-2 ALPHA
著者Tresaugues, L, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Ekblad, T, Flodin, S, Graslund, S, Karlberg, T, Kotenyova, T, Kouznetsova, E, Nyman, T, Persson, C, Schuler, H, Siponen, M.I, Thorsell, A.G, Wahlberg, E, Weigelt, J, Nordlund, P.
登録日2011-03-30
公開日2012-01-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Crystal Structure of Human Phosphatidylinositol-5-Phosphate 4-Kinase Type-2 Alpha
To be Published
5K29
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Trypanosoma brucei bromodomain BDF5 (Tb427tmp.01.5000)
分子名称: UNKNOWN ATOM OR ION, uncharacterized protein BDF5
著者Lin, Y.H, Tempel, W, Walker, J.R, Loppnau, P, Amani, M, Hou, C.F.D, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Structural Genomics Consortium (SGC)
登録日2016-05-18
公開日2016-07-13
最終更新日2016-11-02
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Trypanosoma brucei bromodomain BDF5 (Tb427tmp.01.5000)
To Be Published
4YVD
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BU of 4yvd by Molmil
Crytsal structure of human Pleiotropic Regulator 1 (PRL1)
分子名称: CHLORIDE ION, Pleiotropic regulator 1, SODIUM ION, ...
著者Dong, A, Zeng, H, Xu, C, Tempel, W, Li, Y, He, H, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Wu, H, Structural Genomics Consortium (SGC)
登録日2015-03-19
公開日2015-04-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crytsal structure of human Pleiotropic Regulator 1 (PRL1).
to be published
5KE3
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Crystal structure of SETDB1 Tudor domain in complex with fragment MRT0181a
分子名称: (S)-N-(furan-2-ylmethyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide, BETA-MERCAPTOETHANOL, Histone-lysine N-methyltransferase SETDB1, ...
著者Dong, A, Iqbal, A, Mader, P, Dobrovetsky, E, Ferreira de Freitas, R, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Schapira, M, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2016-06-09
公開日2016-08-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of SETDB1 Tudor domain in complex with fragment MRT0181a
to be published
5KE2
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Crystal structure of SETDB1 Tudor domain in complex with inhibitor XST06472A
分子名称: (3~{S})-~{N}-~{tert}-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, ...
著者Dong, A, Iqbal, A, Mader, P, Dobrovetsky, E, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2016-06-09
公開日2016-07-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Crystal structure of SETDB1 Tudor domain in complex with inhibitor xst06472a
to be published
5KO4
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Bromodomain from Trypanosoma brucei Tb427.10.8150
分子名称: Putative uncharacterized protein, SULFATE ION
著者El Bakkouri, M, Walker, J.R, Hou, C.F.D, Lin, Y.H, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Structural Genomics Consortium (SGC)
登録日2016-06-29
公開日2016-08-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Bromodomain from Trypanosoma brucei Tb427.10.8150
To be published
5LBA
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BU of 5lba by Molmil
Crystal structure of human RECQL5 helicase in complex with DSPL fragment(1-cyclohexyl-3-(oxolan-2-ylmethyl)urea, SGC - Diamond XChem I04-1 fragment screening.
分子名称: 1-cyclohexyl-3-[[(2~{R})-oxolan-2-yl]methyl]urea, ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase Q5, ...
著者Newman, J.A, Aitkenhead, H, Talon, R, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC)
登録日2016-06-15
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of human RECQL5 helicase in complex with 3D fragment (1-cyclohexyl-3-(oxolan-2-ylmethyl)urea)
To be published
5KKP
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Crystal Structure of Human Pseudouridylate Synthase 7
分子名称: 1,2-ETHANEDIOL, Pseudouridylate synthase 7, UNKNOWN ATOM OR ION
著者DONG, A, ZENG, H, WALKER, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
登録日2016-06-22
公開日2016-08-17
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Crystal Structure of Human Pseudouridylate Synthase 7
to be published

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