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PDB: 4673 件
4J0R
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BU of 4j0r by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand
分子名称: 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(R)-hydroxy(phenyl)methyl]phenol, Bromodomain-containing protein 4, ...
著者Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Hewings, D.S, von Delft, F, Conway, S.J, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-01-31
公開日2013-02-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands.
J.Med.Chem., 56, 2013
2DFD
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BU of 2dfd by Molmil
Crystal Structure of Human Malate Dehydrogenase Type 2
分子名称: ALANINE, CHLORIDE ION, D-MALATE, ...
著者Ugochukwu, E, Shafqat, N, Rojkova, A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2006-02-28
公開日2006-03-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Human Malate Dehydrogenase Type 2
To be Published
4J0S
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BU of 4j0s by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand
分子名称: 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(S)-hydroxy(phenyl)methyl]phenol, Bromodomain-containing protein 4
著者Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Hewings, D.S, von Delft, F, Conway, S.J, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-01-31
公開日2013-02-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands.
J.Med.Chem., 56, 2013
1Z83
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BU of 1z83 by Molmil
Crystal structure of human AK1A in complex with AP5A
分子名称: Adenylate kinase 1, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, SULFATE ION, ...
著者Filippakopoulos, P, Bunkoczi, G, Jansson, A, Schreurs, A, Knapp, S, Edwards, A, von Delft, F, Sundstrom, M, Structural Genomics Consortium (SGC)
登録日2005-03-29
公開日2005-04-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of human AK1A in complex with AP5A
To be Published
2BWG
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BU of 2bwg by Molmil
Structure of human guanosine monophosphate reductase GMPR1 in complex with GMP
分子名称: GMP REDUCTASE I, GUANOSINE-5'-MONOPHOSPHATE, POTASSIUM ION
著者Bunkoczi, G, Haroniti, A, Ng, S, von Delft, F, Gileadi, O, Oppermann, U, Arrowsmith, C, Edwards, A, Sundstrom, M.
登録日2005-07-13
公開日2005-07-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of Human Guanosine Monophosphate Reductase Gmpr1 in Complex with Gmp
To be Published
2C2H
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BU of 2c2h by Molmil
CRYSTAL STRUCTURE OF THE HUMAN RAC3 IN COMPLEX WITH GDP
分子名称: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Debreczeni, J.E, Yang, X, Zao, Y, Elkins, J, Gileadi, C, Burgess, N, Colebrook, S, Gileadi, O, Fedorov, O, Bunkoczi, G, von Delft, F, Doyle, D, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A.
登録日2005-09-29
公開日2005-10-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of the Human Rac3 in Complex with Gdp
To be Published
4AYW
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BU of 4ayw by Molmil
STRUCTURE OF THE HUMAN MITOCHONDRIAL ABC TRANSPORTER, ABCB10 (PLATE FORM)
分子名称: ATP-BINDING CASSETTE SUB-FAMILY B MEMBER 10, CHOLESTEROL HEMISUCCINATE, DODECYL-BETA-D-MALTOSIDE, ...
著者Pike, A.C.W, Shintre, C.A, Li, Q, Kim, J, von Delft, F, Barr, A.J, Das, S, Chaikuad, A, Xia, X, Quigley, A, Dong, Y, Dong, L, Krojer, T, Vollmar, M, Muniz, J.R.C, Bray, J.E, Berridge, G, Chalk, R, Gileadi, O, Burgess-Brown, N, Shrestha, L, Goubin, S, Yang, J, Mahajan, P, Mukhopadhyay, S, Bullock, A.N, Arrowsmith, C.H, Weigelt, J, Bountra, C, Edwards, A.M, Carpenter, E.P.
登録日2012-06-22
公開日2012-07-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structures of Abcb10, a Human ATP-Binding Cassette Transporter in Apo- and Nucleotide-Bound States
Proc.Natl.Acad.Sci.USA, 110, 2013
5F5A
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BU of 5f5a by Molmil
Crystal Structure of human JMJD2D complexed with KDOAM16
分子名称: 1,2-ETHANEDIOL, 2-[(furan-2-ylmethylamino)methyl]pyridine-4-carboxylic acid, Lysine-specific demethylase 4D, ...
著者Krojer, T, Vollmar, M, Crawley, L, Bradley, A.R, Szykowska, A, Ruda, G.F, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-12-04
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
3CXW
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BU of 3cxw by Molmil
Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a beta carboline ligand I
分子名称: (4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile, CHLORIDE ION, Pimtide peptide, ...
著者Filippakopoulos, P, Bullock, A, Fedorov, O, Huber, K, Bracher, F, Pike, A.C.W, Roos, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2008-04-25
公開日2008-07-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献7,8-Dichloro-1-oxo-beta-carbolines as a Versatile Scaffold for the Development of Potent and Selective Kinase Inhibitors with Unusual Binding Modes
J.Med.Chem., 55, 2012
5F5I
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BU of 5f5i by Molmil
Crystal Structure of human JMJD2A complexed with KDOOA011340
分子名称: 2-[[(phenylmethyl)amino]methyl]pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ...
著者Krojer, T, Vollmar, M, Crawley, L, Szykowska, A, Gileadi, C, Johansson, C, England, K, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-12-04
公開日2015-12-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
5FPL
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BU of 5fpl by Molmil
Crystal structure of human JARID1B in complex with CCT363901
分子名称: 1,2-ETHANEDIOL, 8-[4-(2-azanylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ...
著者Srikannathasan, V, Yann-Vai, L.B, Nowak, R, Johansson, C, Gileadi, C, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Brennan, P, Huber, K, Oppermann, U.
登録日2015-12-02
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献8-Substituted Pyrido[3,4-D]Pyrimidin-4(3H)-One Derivatives as Potent, Cell Permeable, Kdm4 (Jmjd2) and Kdm5 (Jarid1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
2BP1
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BU of 2bp1 by Molmil
Structure of the aflatoxin aldehyde reductase in complex with NADPH
分子名称: AFLATOXIN B1 ALDEHYDE REDUCTASE MEMBER 2, CITRATE ANION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Debreczeni, J.E, Lukacik, P, Kavanagh, K, Dubinina, E, Bray, J, Colebrook, S, Haroniti, A, Edwards, A, Arrowsmith, C, Sundstrom, M, von Delft, F, Gileadi, O, Oppermann, U.
登録日2005-04-17
公開日2005-05-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the Aflatoxin Aldehyde Reductase in Complex with Nadph
To be Published
5MQ4
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BU of 5mq4 by Molmil
Crystal Structure of the leucine zipper of human PRKCBP1
分子名称: Protein kinase C-binding protein 1, SULFATE ION, ZINC ION
著者Krojer, T, Savitsky, P, Picaud, S, Newman, J, Tallant, C, Heroven, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P.
登録日2016-12-20
公開日2017-01-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structure of the leucine zipper of human PRKCBP1
To Be Published
2C0C
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BU of 2c0c by Molmil
Structure of the MGC45594 gene product
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC BINDING ALCOHOL DEHYDROGENASE, DOMAIN CONTAINING 2
著者Bunkoczi, G, Shafqat, N, Guo, K, Smee, C, Arrowsmith, C, Edwards, A, Weigelt, J, Sundstrom, M, Gileadi, O, von Delft, F, Oppermann, U.
登録日2005-08-30
公開日2005-09-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The Structure of Mgc45594 Gene Product
To be Published
2BEL
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BU of 2bel by Molmil
Structure of human 11-beta-hydroxysteroid dehydrogenase in complex with NADP and carbenoxolone
分子名称: CARBENOXOLONE, CHLORIDE ION, CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1, ...
著者Kavanagh, K, Wu, X, Svensson, S, Elleby, B, von Delft, F, Debreczeni, J.E, Sharma, S, Bray, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Abrahmsen, L, Oppermann, U.
登録日2004-11-25
公開日2004-12-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献The High Resolution Structures of Human, Murine and Guinea Pig 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Reveal Critical Differences in Active Site Architecture
To be Published
1ZSX
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BU of 1zsx by Molmil
Crystal Structure Of Human Potassium Channel Kv Beta-subunit (KCNAB2)
分子名称: CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Voltage-gated potassium channel beta-2 subunit
著者Wennerstrand, P, Johannsson, I, Ugochukwu, E, Kavanagh, K, Edwards, A, Arrowsmith, C, Williams, L, Sundstrom, M, Guo, K, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2005-05-25
公開日2005-06-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure Of Human Potassium Channel Kv Beta-subunit (KCNAB2)
To be Published
3IAR
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BU of 3iar by Molmil
The crystal structure of human adenosine deaminase
分子名称: (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, Adenosine deaminase, GLYCEROL, ...
著者Ugochukwu, E, Zhang, Y, Hapka, E, Yue, W.W, Bray, J.E, Muniz, J, Burgess-Brown, N, Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K.L, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2009-07-14
公開日2009-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献The crystal structure of human adenosine deaminase
To be Published
1ZSY
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BU of 1zsy by Molmil
The structure of human mitochondrial 2-enoyl thioester reductase (CGI-63)
分子名称: GLYCEROL, MITOCHONDRIAL 2-ENOYL THIOESTER REDUCTASE, SULFATE ION
著者Lukacik, P, Shafqat, N, Kavanagh, K.L, Johansson, C, Smee, C, Edwards, A, Arrowsmith, C, Sundstrom, M, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2005-05-25
公開日2005-06-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The structure of human mitochondrial 2-enoyl thioester reductase (CGI-63)
To be Published
1ZX1
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BU of 1zx1 by Molmil
Human quinone oxidoreductase 2 (NQO2) in complex with the cytostatic prodrug CB1954
分子名称: 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE, FLAVIN-ADENINE DINUCLEOTIDE, NRH dehydrogenase [quinone] 2, ...
著者Jansson, A, Wu, X, Kavanagh, K, Kerr, D, Knox, R, Walton, R, Gunther, U, Ludwig, C, Edwards, A, Arrowsmith, C, Sundstrom, M, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2005-06-06
公開日2005-06-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Human quinone oxidoreductase 2 (NQO2) in complex with the cytostatic prodrug CB1954
To be Published
6G8R
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BU of 6g8r by Molmil
SP140 PHD-Bromodomain complex with scFv
分子名称: 1,2-ETHANEDIOL, Nuclear body protein SP140, ZINC ION, ...
著者Fairhead, M, Graslund, S, Strain-Damerell, C, Picaud, S.S, Pike, A.C.W, Pinkas, D.M, Wigren, E, Preger, C, Persson Lotsholm, H, Ossipova, E, Filippakopoulos, P, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Structural Genomics Consortium (SGC)
登録日2018-04-09
公開日2018-04-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献SP140 PHD-Bromodomain complex with scFv
To Be Published
6SXW
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BU of 6sxw by Molmil
Crystal structure of the first RRM domain of human Zinc finger protein 638 (ZNF638)
分子名称: SULFATE ION, Zinc finger protein 638
著者Newman, J.A, Aitkenhead, H, Wang, D, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-09-26
公開日2019-10-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.751 Å)
主引用文献Crystal structure of the first RRM domain of human Zinc finger protein 638 (ZNF638)
To Be Published
3HMF
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BU of 3hmf by Molmil
Crystal Structure of the second Bromodomain of Human Poly-bromodomain containing protein 1 (PB1)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Protein polybromo-1, ...
著者Filippakopoulos, P, Picaud, S, Keates, T, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2009-05-29
公開日2009-06-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
6ZU8
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BU of 6zu8 by Molmil
Crystal structure of human Brachyury G177D variant in complex with Afatinib
分子名称: Brachyury protein, N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide, ZINC ION
著者Newman, J.A, Gavard, A.E, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2020-07-21
公開日2020-08-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of human Brachyury G177D variant in complex with Afatinib
To Be Published
6EI2
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BU of 6ei2 by Molmil
Crystal Structure of HLA-A68 presenting a C-terminally extended peptide
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, CADMIUM ION, ...
著者Picaud, S, Guillaume, P, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gfeller, D, Filippakopoulos, P.
登録日2017-09-16
公開日2017-10-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Crystal Structure of HLA-A68 presenting a C-terminally extended peptide
To Be Published
5LUG
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BU of 5lug by Molmil
Crystal structure of human Spindlin-2B protein in complex with ART(M3L)QTA(2MR)KS peptide
分子名称: 1,2-ETHANEDIOL, ALA-ARG-THR-M3L-GLN-THR-ALA-2MR-LYS-SER, N3, ...
著者Srikannathasan, V, Gileadi, C, Talon, R, Shrestha, L, Kopec, J, Szykowska, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Oppermann, U, Huber, K.
登録日2016-09-08
公開日2017-09-20
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of human Spindlin-2B protein in complex with ART(M3L)QTA(2MR)KS peptide
To be published

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