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4BZC
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BU of 4bzc by Molmil
Crystal structure of the tetrameric dGTP-bound wild type SAMHD1 catalytic core
Descriptor: 2'-deoxyguanosine-5'-O-(1-thiotriphosphate), DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, MAGNESIUM ION, ...
Authors:Ji, X, Yang, H, Wu, Y, Yan, J, Mehrens, J, DeLucia, M, Hao, C, Gronenborn, A.M, Skowronski, J, Ahn, J, Xiong, Y.
Deposit date:2013-07-25
Release date:2013-10-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Mechanism of Allosteric Activation of Samhd1 by Dgtp
Nat.Struct.Mol.Biol., 20, 2013
4BW1
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BU of 4bw1 by Molmil
The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand
Descriptor: 1,2-ETHANEDIOL, 4-[(2-tert-butylphenyl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxylic acid, BROMODOMAIN-CONTAINING PROTEIN 4
Authors:Chung, C, Mirguet, O, Lamotte, Y, Bamborough, P, Delannee, D, Bouillot, A, Gellibert, F, Krysa, G, Lewis, A, Witherington, J, Huet, P, Dudit, Y, Trottet, L, Nicodeme, E.
Deposit date:2013-06-29
Release date:2013-09-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Naphthyridines as Novel Bet Family Bromodomain Inhibitors.
Chemmedchem, 9, 2014
4BW3
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BU of 4bw3 by Molmil
The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand
Descriptor: 1,2-ETHANEDIOL, 4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid, BROMODOMAIN-CONTAINING PROTEIN 4
Authors:Chung, C, Mirguet, O, Lamotte, Y, Bamborough, P, Delannee, D, Bouillot, A, Gellibert, F, Krysa, G, Lewis, A, Witherington, J, Huet, P, Dudit, Y, Trottet, L, Nicodeme, E.
Deposit date:2013-06-29
Release date:2013-09-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Naphthyridines as Novel Bet Family Bromodomain Inhibitors.
Chemmedchem, 9, 2014
4C67
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BU of 4c67 by Molmil
Discovery of Epigenetic Regulator I-BET762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the BET Bromodomains
Descriptor: 1,2-ETHANEDIOL, 13-methyl-7-phenyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene, BROMODOMAIN-CONTAINING PROTEIN 4
Authors:Chung, C, Mirguet, O.
Deposit date:2013-09-17
Release date:2013-10-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of Epigenetic Regulator I-Bet762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the Bet Bromodomains.
J.Med.Chem., 56, 2013
4FU6
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BU of 4fu6 by Molmil
Crystal structure of the PSIP1 PWWP domain
Descriptor: GLYCEROL, PC4 and SFRS1-interacting protein, SULFATE ION, ...
Authors:Qin, S, Tempel, W, Xu, C, Wu, H, Dong, A, Cerovina, T, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2012-06-28
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and function of the nucleosome-binding PWWP domain.
Trends Biochem.Sci., 39, 2014
4LY1
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BU of 4ly1 by Molmil
Structure of Human HDAC2 in complex with inhibitor 4-(acetylamino)-N-[2-amino-5-(thiophen-2-yl)phenyl]benzamide
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-(acetylamino)-N-[2-amino-5-(thiophen-2-yl)phenyl]benzamide, CALCIUM ION, ...
Authors:Fong, R, Lupardus, P.J.
Deposit date:2013-07-30
Release date:2013-08-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Histone Deacetylase (HDAC) Inhibitor Kinetic Rate Constants Correlate with Cellular Histone Acetylation but Not Transcription and Cell Viability.
J.Biol.Chem., 288, 2013
4FTG
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BU of 4ftg by Molmil
The crystal structure of an AHNAK peptide in complex with the S100A10/AnxA2 heterotetramer
Descriptor: Annexin A2, ISOPROPYL ALCOHOL, Neuroblast differentiation-associated protein AHNAK, ...
Authors:Ozorowski, G, Luecke, H.
Deposit date:2012-06-27
Release date:2013-01-02
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.5054 Å)
Cite:Structure of a C-terminal AHNAK peptide in a 1:2:2 complex with S100A10 and an acetylated N-terminal peptide of annexin A2.
Acta Crystallogr.,Sect.D, 69, 2013
4G2O
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BU of 4g2o by Molmil
Human Thymidylate Synthase M190K with bound Purpurogallin
Descriptor: 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one, SULFATE ION, Thymidylate synthase
Authors:Celeste, L.R, Lebioda, L.
Deposit date:2012-07-12
Release date:2013-07-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Oxidation of Cysteine 195 of Huyman Thymidylate Synthase by Purpurogallin
To be Published
4PBZ
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BU of 4pbz by Molmil
Structure of the human RbAp48-MTA1(670-695) complex
Descriptor: Histone-binding protein RBBP4, Metastasis-associated protein MTA1
Authors:Murthy, A, Pei, X.Y, Watson, A.A, Silva, A.P.G, Mackay, J.P, Laue, E.D.
Deposit date:2014-04-14
Release date:2014-06-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Insight into the architecture of the NuRD complex: Structure of the RbAp48-MTA1 sub-complex.
J.Biol.Chem., 289, 2014
4PCI
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BU of 4pci by Molmil
Crystal Structure of the first bromodomain of BRD4 in complex with B16
Descriptor: (4S)-1-methyl-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
Authors:Dong, J, Caflisch, A.
Deposit date:2014-04-15
Release date:2014-05-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking.
Bioorg.Med.Chem.Lett., 24, 2014
4G6W
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BU of 4g6w by Molmil
Human Thymidylate Synthase M190K with bound 4-Bromobenzene-1,2,3-triol
Descriptor: 4-bromobenzene-1,2,3-triol, SULFATE ION, Thymidylate synthase
Authors:Celeste, L.R, Lebioda, L.
Deposit date:2012-07-19
Release date:2013-07-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Oxidation of Cysteine 195 of Huyman Thymidylate Synthase by Purpurogallin
To be Published, 2012
4PBY
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BU of 4pby by Molmil
Structure of the human RbAp48-MTA1(656-686) complex
Descriptor: Histone-binding protein RBBP4, ISOPROPYL ALCOHOL, Metastasis-associated protein MTA1
Authors:Murthy, A, Lejon, S, Alqarni, S.S.M, Silva, A.P.G, Watson, A.A, Mackay, J.P, Laue, E.D.
Deposit date:2014-04-14
Release date:2014-06-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insight into the architecture of the NuRD complex: Structure of the RbAp48-MTA1 sub-complex.
J.Biol.Chem., 289, 2014
2LVA
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BU of 2lva by Molmil
NMR solution structure of the N-terminal domain of human USP28, Northeast structural genomics consortium target HT8470A
Descriptor: Ubiquitin carboxyl-terminal hydrolase 28
Authors:Lemak, A, Yee, A, Houliston, S, Garcia, M, Dhe-Paganon, S, Montelione, G.T, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG), Structural Genomics Consortium (SGC)
Deposit date:2012-06-29
Release date:2012-07-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR solution structure of the N-terminal domain of human USP28
To be Published
4HNA
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BU of 4hna by Molmil
Kinesin motor domain in the ADP-MG-ALFX state in complex with tubulin and a DARPIN
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DESIGNED ANKYRIN REPEAT PROTEIN (DARPIN) D2, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Gigant, B, Knossow, M.
Deposit date:2012-10-19
Release date:2013-06-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structure of a kinesin-tubulin complex and implications for kinesin motility.
Nat.Struct.Mol.Biol., 20, 2013
2MKG
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BU of 2mkg by Molmil
Solution structure of the tandem UIMs of RAP80
Descriptor: BRCA1-A complex subunit RAP80
Authors:Anamika, Markin, C.J, Rout, M.K, Spyracopoulos, L.
Deposit date:2014-02-06
Release date:2014-03-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Molecular Basis for Impaired DNA Damage Response Function Associated with the RAP80 Delta E81 Defect.
J.Biol.Chem., 289, 2014
2DH3
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BU of 2dh3 by Molmil
Crystal Structure of human ED-4F2hc
Descriptor: 4F2 cell-surface antigen heavy chain, ZINC ION
Authors:Fort, J, Fita, I, Palacin, M.
Deposit date:2006-03-21
Release date:2007-03-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structure of human 4F2hc ectodomain provides a model for homodimerization and electrostatic interaction with plasma membrane.
J.Biol.Chem., 282, 2007
2D9T
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BU of 2d9t by Molmil
Solution structure of the Tudor domain of Tudor domain containing protein 3 from mouse
Descriptor: Tudor domain-containing protein 3
Authors:Li, H, Tomizawa, T, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-12-13
Release date:2006-06-13
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the Tudor domain of Tudor domain containing protein 3 from mouse
To be Published
2DAO
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BU of 2dao by Molmil
Solution structure of ETS domain Transcriptional factor ETV6 protein
Descriptor: Transcription factor ETV6
Authors:Niraula, T.N, Sasagawa, A, Tomizawa, T, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-12-14
Release date:2006-12-12
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of ETS domain Transcriptional factor ETV6 protein
To be Published
2DB1
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BU of 2db1 by Molmil
Solution structure of the RNA binding domain in heterogeneous nuclear ribonucleoprotein F homolog
Descriptor: heterogeneous nuclear ribonucleoprotein F
Authors:Abe, C, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-12-14
Release date:2006-06-14
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the RNA binding domain in heterogeneous nuclear ribonucleoprotein F homolog
To be Published
2MH9
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BU of 2mh9 by Molmil
Resonance assignment of RQC domain of human Bloom syndrome protein
Descriptor: Bloom syndrome protein
Authors:Ko, J, Ryu, K.S, Choi, B.S.
Deposit date:2013-11-19
Release date:2014-10-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of the RecQ C-terminal domain of human Bloom syndrome protein.
J.Biomol.Nmr, 58, 2014
6XAU
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BU of 6xau by Molmil
Structure of the PR domain from PRDM3
Descriptor: Histone-lysine N-methyltransferase MECOM
Authors:Loa, S, Mou, T.C, Sprang, S.R, Briknarova, K.
Deposit date:2020-06-04
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structure of the PR domain from PRDM3
To Be Published
2MMG
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BU of 2mmg by Molmil
Structural Characterization of the Mengovirus Leader Protein Bound to Ran GTPase by Nuclear Magnetic Resonance
Descriptor: GTP-binding nuclear protein Ran
Authors:Bacot-Davis, V.R, Palmenberg, A.C, Cornilescu, C.C, Markley, J.L.
Deposit date:2014-03-15
Release date:2014-10-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structures of Mengovirus Leader protein, its phosphorylated derivatives, and in complex with nuclear transport regulatory protein, RanGTPase.
Proc.Natl.Acad.Sci.USA, 111, 2014
2DLX
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BU of 2dlx by Molmil
Solution structure of the UAS domain of human UBX domain-containing protein 7
Descriptor: UBX domain-containing protein 7
Authors:Zhang, H.P, Nagasima, T, Hayashi, F, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-04-20
Release date:2006-10-20
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the UAS domain of human UBX domain-containing protein 7
to be published
6XML
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BU of 6xml by Molmil
Human aldolase A I98C
Descriptor: Fructose-bisphosphate aldolase A, GLYCEROL, PHOSPHATE ION
Authors:Meneely, K.M, Brewer, K, Lamb, A.L.
Deposit date:2020-06-30
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Substitutions at a rheostat position in human aldolase A cause a shift in the conformational population.
Protein Sci., 31, 2022
6XMO
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BU of 6xmo by Molmil
Human aldolase A I98F
Descriptor: Fructose-bisphosphate aldolase A, GLYCEROL, PHOSPHATE ION
Authors:Meneely, K.M, Lamb, A.L.
Deposit date:2020-06-30
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Substitutions at a rheostat position in human aldolase A cause a shift in the conformational population.
Protein Sci., 31, 2022

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