6HU1
 
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 10 | | Descriptor: | 4-chloranyl-3-[(2,4-dichlorophenyl)carbonylamino]-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-10-05 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.996 Å) | | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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6HU0
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 9 | | Descriptor: | 3-[(2,4-dichlorophenyl)carbonylamino]-4-methoxy-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-10-05 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.746 Å) | | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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1NK3
 | | VND/NK-2 HOMEODOMAIN/DNA COMPLEX, NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | DNA (5'-D(*AP*CP*AP*GP*CP*CP*AP*CP*TP*TP*GP*AP*CP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*GP*TP*CP*AP*AP*GP*TP*GP*GP*CP*TP*GP*T)-3'), HOMEOBOX PROTEIN VND | | Authors: | Gruschus, J.M, Tsao, D.H.H, Wang, L.-H, Nirenberg, M, Ferretti, J.A. | | Deposit date: | 1998-05-06 | | Release date: | 1998-12-09 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Interactions of the vnd/NK-2 homeodomain with DNA by nuclear magnetic resonance spectroscopy: basis of binding specificity.
Biochemistry, 36, 1997
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1NK2
 | | VND/NK-2 HOMEODOMAIN/DNA COMPLEX, NMR, 20 STRUCTURES | | Descriptor: | DNA (5'-D(*AP*CP*AP*GP*CP*CP*AP*CP*TP*TP*GP*AP*CP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*GP*TP*CP*AP*AP*GP*TP*GP*GP*CP*TP*GP*T)-3'), HOMEOBOX PROTEIN VND | | Authors: | Gruschus, J.M, Tsao, D.H.H, Wang, L.-H, Nirenberg, M, Ferretti, J.A. | | Deposit date: | 1998-05-06 | | Release date: | 1999-02-23 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Interactions of the vnd/NK-2 homeodomain with DNA by nuclear magnetic resonance spectroscopy: basis of binding specificity.
Biochemistry, 36, 1997
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6HG4
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6HTG
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 4 | | Descriptor: | 3-benzamido-4-chloranyl-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-10-04 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.939 Å) | | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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6HTZ
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 8 | | Descriptor: | 4-methoxy-~{N}-oxidanyl-3-(2-phenylethanoylamino)benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-10-05 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.841 Å) | | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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3QAM
 | | Crystal Structure of Glu208Ala mutant of catalytic subunit of cAMP-dependent protein kinase | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Protein kinase inhibitor, ... | | Authors: | Yang, J, Wu, J, Steichen, J, Taylor, S.S. | | Deposit date: | 2011-01-11 | | Release date: | 2011-12-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | A conserved Glu-Arg salt bridge connects coevolved motifs that define the eukaryotic protein kinase fold.
J.Mol.Biol., 415, 2012
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7UG1
 | | CDK2 liganded with para chloro ANS | | Descriptor: | 1,2-ETHANEDIOL, 8-(4-chloroanilino)naphthalene-1-sulfonic acid, Cyclin-dependent kinase 2, ... | | Authors: | Schonbrunn, E, Martin, M. | | Deposit date: | 2022-03-23 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Allosteric inhibitors of CDK2
To Be Published
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3I8D
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1LDK
 | | Structure of the Cul1-Rbx1-Skp1-F boxSkp2 SCF Ubiquitin Ligase Complex | | Descriptor: | CULLIN HOMOLOG, CYCLIN A/CDK2-ASSOCIATED PROTEIN P19, SKP2-like protein type gamma, ... | | Authors: | Zheng, N, Schulman, B.A, Song, L, Miller, J.J, Jeffrey, P.D, Wang, P, Chu, C, Koepp, D.M, Elledge, S.J, Pagano, M, Conaway, R.C, Conaway, J.W, Harper, J.W, Pavletich, N.P. | | Deposit date: | 2002-04-08 | | Release date: | 2002-05-08 | | Last modified: | 2019-11-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of the Cul1-Rbx1-Skp1-F boxSkp2 SCF ubiquitin ligase complex.
Nature, 416, 2002
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6HSK
 | | Crystal structure of a human HDAC8 L6 loop mutant complexed with Quisinostat | | Descriptor: | 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide, Histone deacetylase 8, POTASSIUM ION, ... | | Authors: | Marek, M, Shaik, T.B, Ramos-Morales, E, Romier, C. | | Deposit date: | 2018-10-01 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.096 Å) | | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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6HSZ
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 2 | | Descriptor: | 3-benzamido-4-methyl-~{N}-oxidanyl-benzamide, GLYCEROL, Histone deacetylase, ... | | Authors: | Marek, M, Shaik, T.B, Romier, C. | | Deposit date: | 2018-10-02 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.374 Å) | | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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6HG9
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3PQJ
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7V3U
 | | Cryo-EM structure of MCM double hexamer with structured Mcm4-NSD | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA replication licensing factor MCM2, DNA replication licensing factor MCM3, ... | | Authors: | Cheng, J, Li, N, Huo, Y, Dang, S, Tye, B, Gao, N, Zhai, Y. | | Deposit date: | 2021-08-11 | | Release date: | 2022-04-13 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural Insight into the MCM double hexamer activation by Dbf4-Cdc7 kinase.
Nat Commun, 13, 2022
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7V3V
 | | Cryo-EM structure of MCM double hexamer bound with DDK in State I | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 7, DDK kinase regulatory subunit DBF4, ... | | Authors: | Cheng, J, Li, N, Huo, Y, Dang, S, Tye, B, Gao, N, Zhai, Y. | | Deposit date: | 2021-08-11 | | Release date: | 2022-04-13 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural Insight into the MCM double hexamer activation by Dbf4-Cdc7 kinase.
Nat Commun, 13, 2022
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1M1G
 | | Crystal Structure of Aquifex aeolicus N-utilization substance G (NusG), Space Group P2(1) | | Descriptor: | Transcription antitermination protein nusG | | Authors: | Steiner, T, Kaiser, J.T, Marinkovic, S, Huber, R, Wahl, M.C. | | Deposit date: | 2002-06-19 | | Release date: | 2003-02-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of transcription factor NusG in light of its nucleic
acid- and protein-binding activities
Embo J., 21, 2002
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7EL2
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7EL3
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6K0C
 | | Crystal structure of ceNAP1-H2A.Z-H2B complex | | Descriptor: | Histone H2B 2,Histone H2A.V, Nucleosome Assembly Protein | | Authors: | Liu, Y.R. | | Deposit date: | 2019-05-05 | | Release date: | 2019-10-09 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.281 Å) | | Cite: | Crystal structure of xlH2A-H2B
Structure, 2019
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6INL
 | | Crystal structure of CDK2 IN complex with Inhibitor CVT-313 | | Descriptor: | 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol), Cyclin-dependent kinase 2 | | Authors: | Talapati, S.R, Krishnamurthy, N.R. | | Deposit date: | 2018-10-25 | | Release date: | 2019-10-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure of cyclin-dependent kinase 2 (CDK2) in complex with the specific and potent inhibitor CVT-313.
Acta Crystallogr.,Sect.F, 76, 2020
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1NYT
 | | SHIKIMATE DEHYDROGENASE AroE COMPLEXED WITH NADP+ | | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ... | | Authors: | Roszak, A.W, Lapthorn, A.J. | | Deposit date: | 2003-02-13 | | Release date: | 2003-03-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structures of shikimate dehydrogenase AroE and its Paralog YdiB. A common structural framework for different activities.
J.Biol.Chem., 278, 2003
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1NOU
 | | Native human lysosomal beta-hexosaminidase isoform B | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ... | | Authors: | Mark, B.L, Mahuran, D.J, Cherney, M.M, Zhao, D, Knapp, S, James, M.N.G. | | Deposit date: | 2003-01-16 | | Release date: | 2003-04-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of Human beta-hexosaminidase B: Understanding the molecular basis of Sandhoff and Tay-Sachs disease
J.Mol.Biol., 327, 2003
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1OCP
 | | SOLUTION STRUCTURE OF OCT3 POU-HOMEODOMAIN | | Descriptor: | OCT-3 | | Authors: | Morita, E.H, Hayashi, F, Shirakawa, M, Kyogoku, Y. | | Deposit date: | 1995-02-21 | | Release date: | 1995-09-15 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of the Oct-3 POU-Homeodomain in Solution, as Determined by Triple Resonance Heteronuclear Multidimensional NMR Spectroscopy
Protein Sci., 4, 1995
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