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2HDE
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BU of 2hde by Molmil
Solution Structure of Human SAP18
Descriptor: Histone deacetylase complex subunit SAP18
Authors:McCallum, S.A, Yin, J.P, Pan, B, Fairbrother, W.J.
Deposit date:2006-06-20
Release date:2007-04-24
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of SAP18: a ubiquitin fold in histone deacetylase complex assembly.
Biochemistry, 45, 2006
5WG6
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BU of 5wg6 by Molmil
Human Polycomb Repressive Complex 2 in complex with GSK126 inhibitor
Descriptor: 1-[(2S)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indole-4-carboxamide, Histone-lysine N-methyltransferase EZH2,Polycomb protein SUZ12 (E.C.2.1.1.43) chimera, Polycomb protein EED, ...
Authors:Bratkowski, M.A, Liu, X.
Deposit date:2017-07-13
Release date:2018-06-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.901 Å)
Cite:An Evolutionarily Conserved Structural Platform for PRC2 Inhibition by a Class of Ezh2 Inhibitors.
Sci Rep, 8, 2018
5W8H
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Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 11
Descriptor: 2-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Lukacs, C.M, Dranow, D.M.
Deposit date:2017-06-21
Release date:2018-01-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
5WFU
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BU of 5wfu by Molmil
Structural basis for the interaction of 14-3-3beta with Tricarboxylic Acid Cycle intermediate Malate
Descriptor: 14-3-3 protein beta/alpha, D-MALATE
Authors:Hou, Z.Q, Liu, X.Y.
Deposit date:2017-07-12
Release date:2018-07-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural basis for the interaction of 14-3-3beta with Tricarboxylic Acid Cycle intermediate Malate
To Be Published
2H6N
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BU of 2h6n by Molmil
Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex
Descriptor: Histone H3 K4-Me2 9-residue peptide, WD-repeat protein 5
Authors:Ruthenburg, A.J, Wang, W.-K, Graybosch, D.M, Li, H, Allis, C.D, Patel, D.J, Verdine, G.L.
Deposit date:2006-05-31
Release date:2006-07-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex.
Nat.Struct.Mol.Biol., 13, 2006
5V3O
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BU of 5v3o by Molmil
Cereblon in complex with DDB1 and CC-220
Descriptor: (3S)-3-[4-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione, DNA damage-binding protein 1, Protein cereblon, ...
Authors:Matyskiela, M, Pagarigan, B, Chamberlain, P.
Deposit date:2017-03-07
Release date:2017-05-03
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:A Cereblon Modulator (CC-220) with Improved Degradation of Ikaros and Aiolos.
J. Med. Chem., 61, 2018
2B5M
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BU of 2b5m by Molmil
Crystal Structure of DDB1
Descriptor: damage-specific DNA binding protein 1
Authors:Li, T, Chen, X, Garbutt, K.C, Zhou, P, Zheng, N.
Deposit date:2005-09-28
Release date:2006-02-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Structure of DDB1 in complex with a paramyxovirus V protein: viral hijack of a propeller cluster in ubiquitin ligase.
Cell(Cambridge,Mass.), 124, 2006
5UPD
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BU of 5upd by Molmil
Methyltransferase domain of human Wolf-Hirschhorn Syndrome Candidate 1-Like protein 1 (WHSC1L1)
Descriptor: Histone-lysine N-methyltransferase NSD3, S-ADENOSYLMETHIONINE, UNKNOWN ATOM OR ION, ...
Authors:Tempel, W, Yu, W, Dong, A, Cerovina, T, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2017-02-02
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Methyltransferase domain of human Wolf-Hirschhorn Syndrome Candidate 1-Like protein 1 (WHSC1L1)
To Be Published
5UWP
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BU of 5uwp by Molmil
Crystal Structure of mDia2 NES Peptide in complex with CRM1-Ran-RanBP1
Descriptor: Exportin-1, GLYCEROL, GTP-binding nuclear protein Ran, ...
Authors:Fung, H.Y.J, Chook, Y.M.
Deposit date:2017-02-21
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.054 Å)
Cite:Nuclear export receptor CRM1 recognizes diverse conformations in nuclear export signals.
Elife, 6, 2017
2FXK
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BU of 2fxk by Molmil
Crystal structure of the macro-domain of human core histone variant macroH2A1.1 (form A)
Descriptor: H2A histone family, member Y isoform 1
Authors:Kustatscher, G, Hothorn, M, Pugieux, C, Scheffzek, K, Ladurner, A.G.
Deposit date:2006-02-06
Release date:2006-02-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Splicing regulates NAD metabolite binding to histone macroH2A.
Nat.Struct.Mol.Biol., 12, 2005
2E7N
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BU of 2e7n by Molmil
Solution structure of the second Bromodomain from human Bromodomain-containing protein 3
Descriptor: Bromodomain-containing protein 3
Authors:Qin, X.R, Kurosaki, C, Hayashi, F, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-01-11
Release date:2007-07-17
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the second Bromodomain from human Bromodomain-containing protein 3
to be published
2G99
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BU of 2g99 by Molmil
Structural basis for the specific recognition of methylated histone H3 lysine 4 by the WD-40 protein WDR5
Descriptor: Histone H3, WD-repeat protein 5
Authors:Chai, J, Han, Z, Wang, H, Shen, Y.
Deposit date:2006-03-06
Release date:2006-09-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the specific recognition of methylated histone H3 lysine 4 by the WD-40 protein WDR5
To be published
5XI4
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BU of 5xi4 by Molmil
BRD4 bound with compound Bdi4
Descriptor: (3~{S})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4
Authors:Xiong, B, Cao, D, Li, Y.
Deposit date:2017-04-25
Release date:2018-05-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.486 Å)
Cite:BRD4 bound with compound Bdi4
To Be Published
5XJS
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BU of 5xjs by Molmil
Crystal Structure of the Gemin2-binding domain of SMN, Gemin2dN39 in Complex with SmD1(1-82)/D2/F/E from Human
Descriptor: Gem-associated protein 2, Small nuclear ribonucleoprotein E, Small nuclear ribonucleoprotein F, ...
Authors:Yi, H, Zhang, R.
Deposit date:2017-05-04
Release date:2018-07-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:Negative cooperativity between Gemin2 and RNA provides insights into RNA selection and the SMN complex's release in snRNP assembly.
Nucleic Acids Res., 2019
5X5A
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BU of 5x5a by Molmil
Human thymidylate synthase bound with phosphate ion
Descriptor: PHOSPHATE ION, Thymidylate synthase
Authors:Chen, D, Jansson, A, Larsson, A, Nordlund, P.
Deposit date:2017-02-15
Release date:2017-06-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
2G3R
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BU of 2g3r by Molmil
Crystal Structure of 53BP1 tandem tudor domains at 1.2 A resolution
Descriptor: SULFATE ION, Tumor suppressor p53-binding protein 1
Authors:Lee, J, Botuyan, M.V, Thompson, J.R, Mer, G.
Deposit date:2006-02-20
Release date:2007-01-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural Basis for the Methylation State-Specific Recognition of Histone H4-K20 by 53BP1 and Crb2 in DNA Repair.
Cell(Cambridge,Mass.), 127, 2006
2J6O
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BU of 2j6o by Molmil
ATYPICAL POLYPROLINE RECOGNITION BY THE CMS N-TERMINAL SH3 DOMAIN. CMS:CD2 HETEROTRIMER
Descriptor: CD2-ASSOCIATED PROTEIN, T-CELL SURFACE ANTIGEN CD2
Authors:Moncalian, G, Cardenes, N, Deribe, Y.L, Spinola-Amilibia, M, Dikic, I, Bravo, J.
Deposit date:2006-10-02
Release date:2006-10-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Atypical Polyproline Recognition by the Cms N-Terminal SH3 Domain.
J.Biol.Chem., 281, 2006
2J6F
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BU of 2j6f by Molmil
N-TERMINAL SH3 DOMAIN OF CMS (CD2AP HUMAN HOMOLOG) BOUND TO CBL-B PEPTIDE
Descriptor: CD2-ASSOCIATED PROTEIN, E3 UBIQUITIN-PROTEIN LIGASE CBL-B
Authors:Moncalian, G, Cardenes, N, Deribe, Y.L, Spinola-Amilibia, M, Dikic, I, Bravo, J.
Deposit date:2006-09-28
Release date:2006-10-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Atypical Polyproline Recognition by the Cms N- Terminal SH3 Domain.
J.Biol.Chem., 281, 2006
2J50
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BU of 2j50 by Molmil
Structure of Aurora-2 in complex with PHA-739358
Descriptor: N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE 6, SULFATE ION
Authors:Cameron, A.D, Izzo, G, Storici, P, Rusconi, L, Fancelli, D, Varasi, M, Berta, D, Bindi, S, Forte, B, Severino, D, Tonani, R, Vianello, P.
Deposit date:2006-09-08
Release date:2006-11-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:1,4,5,6-Tetrahydropyrrolo[3,4-C]Pyrazoles: Identification of a Potent Aurora Kinase Inhibitor with a Favorable Antitumor Kinase Inhibition Profile.
J.Med.Chem., 49, 2006
5U2F
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BU of 5u2f by Molmil
BRD4 first bromodomain (BD1) in complex with dual PI3 kinase (PI3K) inhibitor SF2558HA
Descriptor: Bromodomain-containing protein 4, N-hydroxy-4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzamide
Authors:Andrews, F.H, Kutateladze, T.G.
Deposit date:2016-11-30
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.525 Å)
Cite:Dual-activity PI3K-BRD4 inhibitor for the orthogonal inhibition of MYC to block tumor growth and metastasis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
2JHX
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BU of 2jhx by Molmil
CRYSTAL STRUCTURE OF RHOGDI E155H, E157H MUTANT
Descriptor: RHO GDP-DISSOCIATION INHIBITOR 1
Authors:Cooper, D.R, Zawadzki, M, Derewenda, Z.S.
Deposit date:2007-02-23
Release date:2007-05-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Protein Crystallization by Surface Entropy Reduction: Optimization of the Ser Strategy
Acta Crystallogr.,Sect.D, 63, 2007
2F1O
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BU of 2f1o by Molmil
Crystal Structure of NQO1 with Dicoumarol
Descriptor: BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE], FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1
Authors:Shaul, Y, Asher, G, Dym, O, Tsvetkov, P, Adler, J, Israel Structural Proteomics Center (ISPC)
Deposit date:2005-11-15
Release date:2006-05-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The crystal structure of NAD(P)H quinone oxidoreductase 1 in complex with its potent inhibitor dicoumarol.
Biochemistry, 45, 2006
2FBX
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BU of 2fbx by Molmil
WRN exonuclease, Mg complex
Descriptor: MAGNESIUM ION, Werner syndrome helicase
Authors:Perry, J.J.
Deposit date:2005-12-10
Release date:2006-04-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:WRN exonuclease structure and molecular mechanism imply an editing role in DNA end processing.
Nat.Struct.Mol.Biol., 13, 2006
2AD9
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BU of 2ad9 by Molmil
Solution structure of Polypyrimidine Tract Binding protein RBD1 complexed with CUCUCU RNA
Descriptor: 5'-R(*CP*UP*CP*UP*CP*U)-3', Polypyrimidine tract-binding protein 1
Authors:Oberstrass, F.C, Auweter, S.D, Erat, M, Hargous, Y, Henning, A, Wenter, P, Reymond, L, Pitsch, S, Black, D.L, Allain, F.H.T.
Deposit date:2005-07-20
Release date:2005-10-04
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of PTB bound to RNA: specific binding and implications for splicing regulation
Science, 309, 2005
5W8L
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BU of 5w8l by Molmil
Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 59 and NADH
Descriptor: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-([1,1'-biphenyl]-3-yl)-5-(cyclopropylmethyl)-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, ...
Authors:Davies, D.R, Dranow, D.M.
Deposit date:2017-06-21
Release date:2018-01-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017

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数据于2024-08-07公开中

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