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5YU6
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BU of 5yu6 by Molmil
CRYSTAL STRUCTURE OF EXPORTIN-5:RANGTP COMPLEX
Descriptor: 13-mer peptide, Exportin-5, GTP-binding nuclear protein Ran, ...
Authors:Yamazawa, R, Jiko, C, Lee, S.J, Yamashita, E.
Deposit date:2017-11-20
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.997 Å)
Cite:Structural Basis for Selective Binding of Export Cargoes by Exportin-5
Structure, 26, 2018
5YUF
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BU of 5yuf by Molmil
Crystal Structure of PML RING tetramer
Descriptor: Protein PML, ZINC ION
Authors:Wang, P, Benhend, S, Wu, H, Breitenbach, V, Zhen, T, Jollivet, F, Peres, L, Li, Y, Chen, S, Chen, Z, de THE, H, Meng, G.
Deposit date:2017-11-22
Release date:2018-04-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:RING tetramerization is required for nuclear body biogenesis and PML sumoylation.
Nat Commun, 9, 2018
5ZJE
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BU of 5zje by Molmil
LDHA-mla
Descriptor: L-lactate dehydrogenase A chain, MALONATE ION
Authors:Han, C.W, Jang, S.B.
Deposit date:2018-03-20
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.929 Å)
Cite:Machilin A Inhibits Tumor Growth and Macrophage M2 Polarization Through the Reduction of Lactic Acid.
Cancers (Basel), 11, 2019
5Z8R
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BU of 5z8r by Molmil
BRD4 Bromodomain 1 with an inhibitor
Descriptor: 1-ethyl-6-[(3S)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one, Bromodomain-containing protein 4
Authors:Xiao, S, Chen, S, Chen, H.
Deposit date:2018-02-01
Release date:2019-02-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:BRD4 Bromodomain 1 with an inhibitor
To Be Published
5YY9
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BU of 5yy9 by Molmil
Crystal structure of Tandem Tudor Domain of human UHRF1 in complex with LIG1-K126me3
Descriptor: E3 ubiquitin-protein ligase UHRF1, Ligase 1
Authors:Kori, S, Defossez, P.A, Arita, K.
Deposit date:2017-12-08
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.653 Å)
Cite:Structure of the UHRF1 Tandem Tudor Domain Bound to a Methylated Non-histone Protein, LIG1, Reveals Rules for Binding and Regulation.
Structure, 27, 2019
5Z9K
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BU of 5z9k by Molmil
BRD4 Bromodomain 1 with an inhibitor
Descriptor: 1-ethyl-6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-benzo[cd]indol-2-one, Bromodomain-containing protein 4
Authors:Xiao, S, Chen, S, Chen, H.
Deposit date:2018-02-03
Release date:2019-02-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:BRD4 Bromodomain 1 with an inhibitor
To Be Published
5ZJD
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BU of 5zjd by Molmil
Lactate dehydrogenase with NADH and MLA
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-lactate dehydrogenase A chain, MALONATE ION
Authors:Han, C.W, Jang, S.B.
Deposit date:2018-03-20
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.394 Å)
Cite:Machilin A Inhibits Tumor Growth and Macrophage M2 Polarization Through the Reduction of Lactic Acid.
Cancers (Basel), 11, 2019
5ZJF
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BU of 5zjf by Molmil
LDHA-MA
Descriptor: 5,5'-[(2R,3S)-2,3-dimethylbutane-1,4-diyl]bis(2H-1,3-benzodioxole), L-lactate dehydrogenase A chain
Authors:Han, C.W, Jang, S.B.
Deposit date:2018-03-20
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.602 Å)
Cite:Machilin A Inhibits Tumor Growth and Macrophage M2 Polarization Through the Reduction of Lactic Acid.
Cancers (Basel), 11, 2019
5Z1R
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BU of 5z1r by Molmil
Crystal Structure Analysis of the BRD4
Descriptor: 1,2-ETHANEDIOL, 5-bromo-N-(2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ...
Authors:Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C.
Deposit date:2017-12-28
Release date:2019-01-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Acs Med.Chem.Lett., 9, 2018
5ZAN
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BU of 5zan by Molmil
Crystal Structure of Aurora-A in complex with a new Quinazoline inhibitor
Descriptor: 7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-amine, Aurora kinase A
Authors:Cheng, B, Lu, G, Zhou, H.
Deposit date:2018-02-07
Release date:2019-02-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Optimization of Novel Quinazolines as Potent and Orally Bioavailable Aurora Kinase Inhibitors
To Be Published
5YYA
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BU of 5yya by Molmil
Crystal structure of Tandem Tudor Domain of human UHRF1
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase UHRF1, SULFATE ION
Authors:Kori, S, Defossez, P.A, Arita, K.
Deposit date:2017-12-08
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the UHRF1 Tandem Tudor Domain Bound to a Methylated Non-histone Protein, LIG1, Reveals Rules for Binding and Regulation.
Structure, 27, 2019
5Z8Z
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BU of 5z8z by Molmil
BRD4 Bromodomain 1 with an inhibitor
Descriptor: 6-[(3S)-3-azanylpiperidin-1-yl]sulfonyl-1-ethyl-benzo[cd]indol-2-one, Bromodomain-containing protein 4
Authors:Xiao, S, Chen, S, Chen, H.
Deposit date:2018-02-01
Release date:2019-02-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:BRD4 Bromodomain 1 with an inhibitor
To Be Published
5Z1T
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BU of 5z1t by Molmil
Crystal Structure Analysis of the BRD4(1)
Descriptor: 1,2-ETHANEDIOL, 5-bromo-N-(6-hydroxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ...
Authors:Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C.
Deposit date:2017-12-28
Release date:2019-01-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Acs Med.Chem.Lett., 9, 2018
5EAR
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BU of 5ear by Molmil
Crystal structure of human WDR5 in complex with compound 9d
Descriptor: 1,2-ETHANEDIOL, N-[5-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide, SULFATE ION, ...
Authors:DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2015-10-16
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1).
J. Med. Chem., 59, 2016
5DMR
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BU of 5dmr by Molmil
Crystal Structure of C-terminal domain of mouse eRF1 in complex with RNase H domain of RT of Moloney Murine Leukemia Virus
Descriptor: Eukaryotic peptide chain release factor subunit 1, Reverse transcriptase/ribonuclease H p80
Authors:Tang, X, Song, H.
Deposit date:2015-09-09
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of suppression of host translation termination by Moloney Murine Leukemia Virus
Nat Commun, 7, 2016
5DLQ
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BU of 5dlq by Molmil
Crystal structure of RanGTP-Exportin 4-eIF5A complex
Descriptor: Eukaryotic translation initiation factor 5A-1, Exportin-4, GTP-binding nuclear protein Ran, ...
Authors:Aksu, M, Trakhanov, S, Gorlich, D.
Deposit date:2015-09-07
Release date:2016-06-22
Last modified:2016-06-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of the exportin Xpo4 in complex with RanGTP and the hypusine-containing translation factor eIF5A.
Nat Commun, 7, 2016
5DMQ
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BU of 5dmq by Molmil
Crystal structure of mouse eRF1 in complex with Reverse Transcriptase (RT) of Moloney Murine Leukemia Virus
Descriptor: Eukaryotic peptide chain release factor subunit 1, Reverse transcriptase/ribonuclease H p80
Authors:Tang, T, Song, H.
Deposit date:2015-09-09
Release date:2016-07-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structural basis of suppression of host translation termination by Moloney Murine Leukemia Virus
Nat Commun, 7, 2016
5E0V
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BU of 5e0v by Molmil
Human PCNA variant (S228I) complexed with FEN1 at 2.1 Angstroms
Descriptor: Flap endonuclease 1, Proliferating cell nuclear antigen
Authors:Duffy, C.M, Hilbert, B.J, Kelch, B.A.
Deposit date:2015-09-29
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.074 Å)
Cite:A Disease-Causing Variant in PCNA Disrupts a Promiscuous Protein Binding Site.
J.Mol.Biol., 428, 2016
5DNR
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BU of 5dnr by Molmil
Aurora A Kinase in complex with ATP in space group P41212
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, MAGNESIUM ION, ...
Authors:Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G, Huggins, D, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.
Deposit date:2015-09-10
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
5DR6
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BU of 5dr6 by Molmil
Aurora A Kinase in Complex with AA30 and JNJ-7706621 in Space Group P6122
Descriptor: 2-(3-bromophenyl)quinoline-4-carboxylic acid, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A
Authors:Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R.
Deposit date:2015-09-15
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.534 Å)
Cite:Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
5E7M
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BU of 5e7m by Molmil
Crystal structure of the active catalytic core of the human DEAD-box protein DDX3 bound to AMPPNP
Descriptor: ATP-dependent RNA helicase DDX3X, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Floor, S.N, Condon, K.J, Doudna, J.A.
Deposit date:2015-10-12
Release date:2015-12-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.304 Å)
Cite:Autoinhibitory Interdomain Interactions and Subfamily-specific Extensions Redefine the Catalytic Core of the Human DEAD-box Protein DDX3.
J.Biol.Chem., 291, 2016
5DYI
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BU of 5dyi by Molmil
Structure of p97 N-D1 wild-type in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase
Authors:Tang, W.K, Xia, D.
Deposit date:2015-09-24
Release date:2016-02-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.71 Å)
Cite:Role of the D1-D2 Linker of Human VCP/p97 in the Asymmetry and ATPase Activity of the D1-domain.
Sci Rep, 6, 2016
5DW2
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BU of 5dw2 by Molmil
X-ray crystal structure of human BRD4(BD1) in complex with RVX297 to 1.12 A resolution
Descriptor: 1,2-ETHANEDIOL, 2-{3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4
Authors:White, A, Fontano, E, Suto, R.K.
Deposit date:2015-09-22
Release date:2016-06-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:RVX-297- a novel BD2 selective inhibitor of BET bromodomains.
Biochem.Biophys.Res.Commun., 477, 2016
5E0T
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BU of 5e0t by Molmil
Human PCNA mutant - S228I
Descriptor: Proliferating cell nuclear antigen
Authors:Duffy, C.M, Hilbert, B.J, Kelch, B.A.
Deposit date:2015-09-29
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6653 Å)
Cite:A Disease-Causing Variant in PCNA Disrupts a Promiscuous Protein Binding Site.
J.Mol.Biol., 428, 2016
5EA2
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BU of 5ea2 by Molmil
Crystal Structure of Holo NAD(P)H dehydrogenase, quinone 1
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1
Authors:Pidugu, L.S, Mbimba, J.E, Ahmad, M, Pozharski, E, Sausville, E.A, Emadi, A, Toth, E.A.
Deposit date:2015-10-15
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:A direct interaction between NQO1 and a chemotherapeutic dimeric naphthoquinone.
Bmc Struct.Biol., 16, 2016

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数据于2024-07-10公开中

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