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2WO9
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BU of 2wo9 by Molmil
MMP12 complex with a beta hydroxy carboxylic acid
Descriptor: (3S)-5-(4'-ACETYLBIPHENYL-4-YL)-3-HYDROXYPENTANOIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Holmes, I.P, Gaines, S, Watson, S.P, Lorthioir, O, Walker, A, Baddeley, S.J, Herbert, S, Egan, D, Convery, M.A, Singh, O.M.P, Gross, J.W, Strelow, J.M, Smith, R.H, Amour, A.J, Brown, D, Martin, S.L.
Deposit date:2009-07-22
Release date:2009-09-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Identification of Beta-Hydroxy Carboxylic Acids as Selective Mmp-12 Inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
2WOA
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BU of 2woa by Molmil
MMP12 complex with a beta hydroxy carboxylic acid
Descriptor: (3S)-5-(9H-FLUOREN-2-YL)-3-HYDROXYPENTANOIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Holmes, I.P, Gaines, S, Watson, S.P, Lorthioir, O, Walker, A, Baddeley, S.J, Herbert, S, Egan, D, Convery, M.A, Singh, O.M.P, Gross, J.W, Strelow, J.M, Smith, R.H, Amour, A.J, Brown, D, Martin, S.L.
Deposit date:2009-07-22
Release date:2009-09-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Identification of Beta-Hydroxy Carboxylic Acids as Selective Mmp-12 Inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
2WO8
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BU of 2wo8 by Molmil
MMP12 complex with a beta hydroxy carboxylic acid
Descriptor: (3S)-5-biphenyl-4-yl-3-hydroxypentanoic acid, CALCIUM ION, GLYCEROL, ...
Authors:Holmes, I.P, Gaines, S, Watson, S.P, Lorthioir, O, Walker, A, Baddeley, S.J, Herbert, S, Egan, D, Convery, M.A, Singh, O.M.P, Gross, J.W, Strelow, J.M, Smith, R.H, Amour, A.J, Brown, D, Martin, S.L.
Deposit date:2009-07-22
Release date:2009-09-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Identification of Beta-Hydroxy Carboxylic Acids as Selective Mmp-12 Inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
6I3U
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BU of 6i3u by Molmil
Optimization of potent and selective ATM inhibitors suitable for a proof-of-concept study in Huntington's disease models
Descriptor: 2-morpholin-4-yl-6-[7-[(2~{R})-1-morpholin-4-ylpropan-2-yl]oxy-9~{H}-thioxanthen-4-yl]pyran-4-one, Phosphatidylinositol 3-kinase catalytic subunit type 3
Authors:Leonard, P.M.
Deposit date:2018-11-07
Release date:2019-03-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Optimization of Potent and Selective Ataxia Telangiectasia-Mutated Inhibitors Suitable for a Proof-of-Concept Study in Huntington's Disease Models.
J.Med.Chem., 62, 2019
6YKG
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BU of 6ykg by Molmil
Structure-based exploration of selectivity for ATM inhibitors in Huntingtons disease
Descriptor: 4-morpholin-4-yl-6-[(2~{R})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{H}-pyridin-2-one, Phosphatidylinositol 3-kinase catalytic subunit type 3
Authors:Van de Poel, A, Leonard, P.M, Lamers, M.B.A.C.
Deposit date:2020-04-06
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Structure-Based Exploration of Selectivity for ATM Inhibitors in Huntington's Disease.
J.Med.Chem., 64, 2021
2YEM
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BU of 2yem by Molmil
Crystal Structure of the Second Bromodomain of Human Brd4 with the inhibitor GW841819X
Descriptor: BENZYL [(4R)-1-METHYL-6-PHENYL-4H-[1,2,4]TRIAZOLO[4,3-A][1,4]BENZODIAZEPIN-4-YL]CARBAMATE, BROMODOMAIN-CONTAINING PROTEIN 4
Authors:Chung, C.W.
Deposit date:2011-03-25
Release date:2011-06-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and Characterization of Small Molecule Inhibitors of the Bet Family Bromodomains.
J.Med.Chem., 54, 2011
2YEL
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BU of 2yel by Molmil
Crystal Structure of the First Bromodomain of Human Brd4 with the inhibitor GW841819X
Descriptor: 1,2-ETHANEDIOL, BENZYL [(4R)-1-METHYL-6-PHENYL-4H-[1,2,4]TRIAZOLO[4,3-A][1,4]BENZODIAZEPIN-4-YL]CARBAMATE, HUMAN BRD4
Authors:Chung, C.W.
Deposit date:2011-03-25
Release date:2011-06-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery and Characterization of Small Molecule Inhibitors of the Bet Family Bromodomains.
J.Med.Chem., 54, 2011
2YDW
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BU of 2ydw by Molmil
Crystal Structure of the First Bromodomain of Human Brd2 with the inhibitor GW841819X
Descriptor: BENZYL [(4R)-1-METHYL-6-PHENYL-4H-[1,2,4]TRIAZOLO[4,3-A][1,4]BENZODIAZEPIN-4-YL]CARBAMATE, BROMODOMAIN-CONTAINING PROTEIN 2, SULFATE ION
Authors:Chung, C, Delves, C, Woodward, R, Mirguet, O, Nicodeme, E.
Deposit date:2011-03-24
Release date:2011-06-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery and Characterization of Small Molecule Inhibitors of the Bet Family Bromodomains.
J.Med.Chem., 54, 2011
2YEK
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BU of 2yek by Molmil
Crystal Structure of the First Bromodomain of Human Brd2 with the inhibitor GSK525762 (IBET)
Descriptor: 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide, BROMODOMAIN-CONTAINING PROTEIN 2, SULFATE ION
Authors:Chung, C.W.
Deposit date:2011-03-25
Release date:2011-06-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Discovery and Characterization of Small Molecule Inhibitors of the Bet Family Bromodomains.
J.Med.Chem., 54, 2011
7LCU
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BU of 7lcu by Molmil
X-ray structure of Furin bound to BOS-318, a small molecule inhibitor
Descriptor: (1-{[2-(3,5-dichlorophenyl)-6-{[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxy}pyridin-4-yl]methyl}piperidin-4-yl)acetic acid, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Campobasso, N, Reid, R.
Deposit date:2021-01-11
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:A highly selective, cell-permeable furin inhibitor BOS-318 rescues key features of cystic fibrosis airway disease.
Cell Chem Biol, 29, 2022
2JRB
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BU of 2jrb by Molmil
C-terminal domain of ORF1p from mouse LINE-1
Descriptor: ORF 1 protein
Authors:Januszyk, K, Clubb, R.
Deposit date:2007-06-21
Release date:2007-07-17
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Identification and solution structure of a highly conserved C-terminal domain within ORF1p required for retrotransposition of long interspersed nuclear element-1.
J.Biol.Chem., 282, 2007

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数据于2024-11-06公开中

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