6HT5
 
 | | Oct4/Sox2:UTF1 structure | | Descriptor: | DNA (5'-D(*TP*TP*CP*AP*CP*TP*AP*GP*CP*AP*TP*AP*AP*CP*AP*AP*TP*GP*AP*GP*G)-3'), DNA (5'-D(P*CP*CP*TP*CP*AP*TP*TP*GP*TP*TP*AP*TP*GP*CP*TP*AP*GP*TP*GP*AP*AP*G)-3'), POU domain, ... | | Authors: | Vahokoski, J, Meusch, D, Groves, M, Pogenberg, V, Wilmanns, M. | | Deposit date: | 2018-10-03 | | Release date: | 2019-10-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.451 Å) | | Cite: | Oct4/Sox2:UTF1 structure
To Be Published
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6HU2
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 11 | | Descriptor: | 4-methyl-~{N}-oxidanyl-3-[(phenylmethyl)amino]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 (1.986 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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5FUE
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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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5H6Y
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5IEV
 | | Crystal structure of BAY 1000394 (Roniciclib) bound to CDK2 | | Descriptor: | Cyclin-dependent kinase 2, Roniciclib | | Authors: | Ayaz, P, Andres, D, Kwiatkowski, D.A, Kolbe, C, Lienau, P, Siemeister, G, Luecking, U, Stegmann, C.M. | | Deposit date: | 2016-02-25 | | Release date: | 2016-04-27 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9.
Acs Chem.Biol., 11, 2016
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6GUK
 | | CDK2 in complex with CGP74514A | | Descriptor: | Cyclin-dependent kinase 2, ~{N}2-[(1~{R},2~{S})-2-azanylcyclohexyl]-~{N}6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine | | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | | Deposit date: | 2018-06-19 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
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6GHP
 | | 14-3-3sigma in complex with a TASK3 peptide stabilized by semi-synthetic natural product FC-NAc | | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, Potassium channel subfamily K member 9, ... | | Authors: | Andrei, S.A, de Vink, P.J, Brunsveld, L, Ottmann, C, Higuchi, Y. | | Deposit date: | 2018-05-08 | | Release date: | 2018-08-01 | | Last modified: | 2018-10-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Rationally Designed Semisynthetic Natural Product Analogues for Stabilization of 14-3-3 Protein-Protein Interactions.
Angew. Chem. Int. Ed. Engl., 57, 2018
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6I3Y
 | | Crystal structure of the human mitochondrial PRELID1K58V-TRIAP1 complex with PS | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine, PRELI domain-containing protein 1, ... | | Authors: | Miliara, X, Berry, J.-L, Morgan, R.M.L, Matthews, S.J. | | Deposit date: | 2018-11-08 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Structural determinants of lipid specificity within Ups/PRELI lipid transfer proteins.
Nat Commun, 10, 2019
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5HOD
 | | Structure of LHX4 transcription factor complexed with DNA | | Descriptor: | DNA (5'-D(P*AP*CP*CP*TP*AP*AP*TP*TP*AP*GP*GP*CP*GP*TP*AP*AP*TP*TP*AP*G)-3'), DNA (5'-D(P*CP*TP*AP*AP*TP*TP*AP*CP*GP*CP*CP*TP*AP*AP*TP*TP*AP*GP*GP*T)-3'), LIM/homeobox protein Lhx4 | | Authors: | Morgunova, E, Yin, Y, Popov, A, Taipale, J. | | Deposit date: | 2016-01-19 | | Release date: | 2017-02-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.682 Å) | | Cite: | Impact of cytosine methylation on DNA binding specificities of human transcription factors.
Science, 356, 2017
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6HSG
 | | Crystal structure of Schistosoma mansoni HDAC8 H292M mutant complexed with NCC-149 | | Descriptor: | DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-10-01 | | Release date: | 2018-10-31 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.846 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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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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1XFY
 | | Crystal structure of anthrax edema factor (EF) in complex with calmodulin | | Descriptor: | CALCIUM ION, Calmodulin 2, Calmodulin-sensitive adenylate cyclase, ... | | Authors: | Shen, Y, Zhukovskaya, N.L, Guo, Q, Florian, J, Tang, W.J. | | Deposit date: | 2004-09-15 | | Release date: | 2005-05-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Calcium-independent calmodulin binding and two-metal-ion catalytic mechanism of anthrax edema factor.
EMBO J., 24, 2005
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6HQY
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with PCI-34051 | | Descriptor: | 1-[(4-methoxyphenyl)methyl]-~{N}-oxidanyl-indole-6-carboxamide, GLYCEROL, Histone deacetylase, ... | | Authors: | Marek, M, Shaik, T.B, Romier, C. | | Deposit date: | 2018-09-25 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.501 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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6I4Y
 | | X-ray structure of the human mitochondrial PRELID3b-TRIAP1 complex | | Descriptor: | Maltose transport system, substrate-binding protein,TP53-regulated inhibitor of apoptosis 1, PRELI domain containing protein 3B, ... | | Authors: | Miliara, X, Berry, J.-L, Morgan, R.M.L, Matthews, S.J. | | Deposit date: | 2018-11-12 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Structural determinants of lipid specificity within Ups/PRELI lipid transfer proteins.
Nat Commun, 10, 2019
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5ILV
 | | Uninhibited ETV5 | | Descriptor: | ETS translocation variant 5 | | Authors: | Whitby, F.G, Currie, S.L. | | Deposit date: | 2016-03-04 | | Release date: | 2017-02-22 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structured and disordered regions cooperatively mediate DNA-binding autoinhibition of ETS factors ETV1, ETV4 and ETV5.
Nucleic Acids Res., 45, 2017
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1XFU
 | | Crystal structure of anthrax edema factor (EF) truncation mutant, EF-delta 64 in complex with calmodulin | | Descriptor: | CALCIUM ION, Calmodulin 2, Calmodulin-sensitive adenylate cyclase, ... | | Authors: | Shen, Y, Zhukovskaya, N.L, Guo, Q, Florian, J, Tang, W.J. | | Deposit date: | 2004-09-15 | | Release date: | 2005-05-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Calcium-independent calmodulin binding and two-metal-ion catalytic mechanism of anthrax edema factor.
EMBO J., 24, 2005
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5IF1
 | | Crystal structure apo CDK2/cyclin A | | Descriptor: | Cyclin-A2, Cyclin-dependent kinase 2 | | Authors: | Ayaz, P, Andres, D, Kwiatkowski, D.A, Kolbe, C, Lienau, P, Siemeister, G, Luecking, U, Stegmann, C.M. | | Deposit date: | 2016-02-25 | | Release date: | 2016-04-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9.
Acs Chem.Biol., 11, 2016
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5IFR
 | | Structure of the stable UBE2D3-UbDha conjugate | | Descriptor: | GLYCEROL, Polyubiquitin-B, Ubiquitin-conjugating enzyme E2 D3 | | Authors: | Pruneda, J.N, Mulder, M.P.C, Witting, K, Ovaa, H, Komander, D. | | Deposit date: | 2016-02-26 | | Release date: | 2016-05-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A cascading activity-based probe sequentially targets E1-E2-E3 ubiquitin enzymes.
Nat.Chem.Biol., 12, 2016
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5ILS
 | | Autoinhibited ETV1 | | Descriptor: | ETS translocation variant 1 | | Authors: | Whitby, F.G, Currie, S.L. | | Deposit date: | 2016-03-04 | | Release date: | 2017-02-22 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (1.399 Å) | | Cite: | Structured and disordered regions cooperatively mediate DNA-binding autoinhibition of ETS factors ETV1, ETV4 and ETV5.
Nucleic Acids Res., 45, 2017
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3EWF
 | | Crystal Structure Analysis of human HDAC8 H143A variant complexed with substrate. | | Descriptor: | 7-AMINO-4-METHYL-CHROMEN-2-ONE, Histone deacetylase 8, PEPTIDIC SUBSTRATE, ... | | Authors: | Dowling, D.P, Gantt, S.L, Gattis, S.G, Fierke, C.A, Christianson, D.W. | | Deposit date: | 2008-10-14 | | Release date: | 2008-12-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural studies of human histone deacetylase 8 and its site-specific variants complexed with substrate and inhibitors.
Biochemistry, 47, 2008
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6E3K
 | | Interferon gamma signalling complex with IFNGR1 and IFNGR2 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Jude, K.M, Mendoza, J.L, Garcia, K.C. | | Deposit date: | 2018-07-14 | | Release date: | 2019-02-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Structure of the IFN gamma receptor complex guides design of biased agonists.
Nature, 567, 2019
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