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3PDS
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BU of 3pds by Molmil
Irreversible Agonist-Beta2 Adrenoceptor Complex
Descriptor: 8-hydroxy-5-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(3-sulfanylpropoxy)phenyl]ethyl}amino)ethyl]quinolin-2(1H)-one, CHOLESTEROL, Fusion protein Beta-2 adrenergic receptor/Lysozyme, ...
Authors:Rosenbaum, D.M, Zhang, C, Lyons, J.A, Holl, R, Aragao, D, Arlow, D.H, Rasmussen, S.G.F, Choi, H.-J, DeVree, B.T, Sunahara, R.K, Chae, P.S, Gellman, S.H, Dror, R.O, Shaw, D.E, Weis, W.I, Caffrey, M, Gmeiner, P, Kobilka, B.K.
Deposit date:2010-10-24
Release date:2011-01-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure and function of an irreversible agonist-beta(2) adrenoceptor complex
Nature, 469, 2011
6TLD
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BU of 6tld by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a triazole hydroxamate inhibitor 2
Descriptor: DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ...
Authors:Shaik, T.B, Romier, C.
Deposit date:2019-12-02
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structure-Based Design, Synthesis, and Biological Evaluation of Triazole-Based smHDAC8 Inhibitors.
Chemmedchem, 15, 2020
6HSG
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BU of 6hsg by Molmil
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:2018-11-28
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
6HU1
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BU of 6hu1 by Molmil
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
6HU0
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BU of 6hu0 by Molmil
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
6HQY
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BU of 6hqy by Molmil
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
6HTG
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BU of 6htg by Molmil
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
6HTZ
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BU of 6htz by Molmil
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
6HRQ
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BU of 6hrq by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with NCC-149
Descriptor: DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ...
Authors:Shaik, T.B, Marek, M, Romier, C.
Deposit date:2018-09-28
Release date:2018-10-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.845 Å)
Cite:Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HTI
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BU of 6hti by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 6
Descriptor: GLYCEROL, Histone deacetylase, POTASSIUM ION, ...
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 (1.693 Å)
Cite:Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HSK
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BU of 6hsk by Molmil
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
6HTT
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BU of 6htt by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 7
Descriptor: DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ...
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 (1.748 Å)
Cite:Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HSZ
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BU of 6hsz by Molmil
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
6HSF
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BU of 6hsf by Molmil
Crystal structure of Schistosoma mansoni HDAC8 mutant H292M complexed with PCI-34051
Descriptor: 1-[(4-methoxyphenyl)methyl]-~{N}-oxidanyl-indole-6-carboxamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
Authors:Shaik, T.B, Marek, M, Romier, C.
Deposit date:2018-10-01
Release date:2018-10-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HTH
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BU of 6hth by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 5
Descriptor: 4-methoxy-~{N}-oxidanyl-3-[(4-phenylphenyl)carbonylamino]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 (1.95 Å)
Cite:Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HU3
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BU of 6hu3 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a triazole hydroxamate inhibitor
Descriptor: 1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{N}-oxidanyl-1,2,3-triazole-4-carboxamide, 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 (1.655 Å)
Cite:Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HSH
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BU of 6hsh by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with Quisinostat
Descriptor: 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
Authors:Shaik, T.B, Marek, M, Romier, C.
Deposit date:2018-10-01
Release date:2018-10-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.545 Å)
Cite:Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HT8
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BU of 6ht8 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 3
Descriptor: 3-benzamido-4-methoxy-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
Authors:Marek, M, Shaik, T.B, Romier, C.
Deposit date:2018-10-03
Release date:2018-10-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.497 Å)
Cite:Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HU2
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BU of 6hu2 by Molmil
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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