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PDB: 32 件

8BV2
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Biological and structural analysis of new potent Integrase-LEDGF allosteric HIV-1 inhibitors
分子名称: (2S)-2-[3-cyclopropyl-2-(3,4-dihydro-2H-chromen-6-yl)-6-methyl-phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, MAGNESIUM ION, ...
著者Ruff, M, Benarous, R.
登録日2022-12-01
公開日2023-06-07
最終更新日2023-07-26
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
7BB8
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Crystal structure of Lugdulysin, a Staphylococcus lugdunensis M30 zinc metallopeptidase
分子名称: ACETATE ION, CACODYLATE ION, CALCIUM ION, ...
著者Ruff, M, Prevost, G, Prola, K, Levy, N.
登録日2020-12-17
公開日2022-07-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.506 Å)
主引用文献Crystal structure of Staphylococcus lugdunensis protease, Lugdulysin
To Be Published
6G9P
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Structural basis for the inhibition of E. coli PBP2
分子名称: Peptidoglycan D,D-transpeptidase MrdA
著者Ruff, M, Levy, N.
登録日2018-04-11
公開日2019-05-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Structural Basis for E. coli Penicillin Binding Protein (PBP) 2 Inhibition, a Platform for Drug Design.
J.Med.Chem., 62, 2019
1QKT
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MUTANT ESTROGEN NUCLEAR RECEPTOR LIGAND BINDING DOMAIN COMPLEXED WITH ESTRADIOL
分子名称: ESTRADIOL, ESTRADIOL RECEPTOR
著者Ruff, M, Gangloff, M, Eiler, S, Duclaud, S, Wurtz, J.M, Moras, D.
登録日1999-08-05
公開日2000-08-18
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of a Mutant Heralpha Ligand- Binding Domain Reveals Key Structural Features for the Mechanism of Partial Agonism
J.Biol.Chem., 276, 2001
1QKU
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WILD TYPE ESTROGEN NUCLEAR RECEPTOR LIGAND BINDING DOMAIN COMPLEXED WITH ESTRADIOL
分子名称: ESTRADIOL, ESTRADIOL RECEPTOR
著者Ruff, M, Gangloff, M, Eiler, S, Duclaud, S, Wurtz, J.M, Moras, D.
登録日1999-08-05
公開日2000-08-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of a mutant hERalpha ligand-binding domain reveals key structural features for the mechanism of partial agonism.
J. Biol. Chem., 276, 2001
6G9S
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Structural basis for the inhibition of E. coli PBP2
分子名称: (3~{R},6~{S})-6-(aminomethyl)-4-(1,3-oxazol-5-yl)-3-(sulfooxyamino)-3,6-dihydro-2~{H}-pyridine-1-carboxylic acid, Peptidoglycan D,D-transpeptidase MrdA
著者Ruff, M, Levy, N.
登録日2018-04-11
公開日2019-05-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Structural Basis for E. coli Penicillin Binding Protein (PBP) 2 Inhibition, a Platform for Drug Design.
J.Med.Chem., 62, 2019
6G9F
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Structural basis for the inhibition of E. coli PBP2
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Peptidoglycan D,D-transpeptidase MrdA
著者Ruff, M, Levy, N.
登録日2018-04-10
公開日2019-05-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural Basis for E. coli Penicillin Binding Protein (PBP) 2 Inhibition, a Platform for Drug Design.
J.Med.Chem., 62, 2019
7BB9
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Crystal structure of Lugdulysin E242Q Y315F mutant
分子名称: CALCIUM ION, Lugdulysin E242Q Y315F, ZINC ION
著者Ruff, M, Prevost, G, Prola, K, Levy, N.
登録日2020-12-17
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystal structure of Lugdulysin E242Q Y315F mutant
To Be Published
1ASY
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BU of 1asy by Molmil
CLASS II AMINOACYL TRANSFER RNA SYNTHETASES: CRYSTAL STRUCTURE OF YEAST ASPARTYL-TRNA SYNTHETASE COMPLEXED WITH TRNA ASP
分子名称: ASPARTYL-tRNA SYNTHETASE, T-RNA (75-MER)
著者Ruff, M, Cavarelli, J, Rees, B, Krishnaswamy, S, Thierry, J.C, Moras, D.
登録日1995-01-19
公開日1995-05-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Class II aminoacyl transfer RNA synthetases: crystal structure of yeast aspartyl-tRNA synthetase complexed with tRNA(Asp).
Science, 252, 1991
6T6I
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Crystal Structure of the C-terminal domain of the HIV-1 Integrase (subtype A2)
分子名称: NICKEL (II) ION, Pol protein
著者Ruff, M, Negroni, M.
登録日2019-10-18
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.203 Å)
主引用文献NKNK: a New Essential Motif in the C-Terminal Domain of HIV-1 Group M Integrases.
J.Virol., 94, 2020
6T6E
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BU of 6t6e by Molmil
Crystal Structure of the C-terminal domain of the HIV-1 Integrase (PNL4-3)
分子名称: NICKEL (II) ION, Pol protein
著者Ruff, M, Negroni, M.
登録日2019-10-18
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.302 Å)
主引用文献NKNK: a New Essential Motif in the C-Terminal Domain of HIV-1 Group M Integrases.
J.Virol., 94, 2020
6T6J
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Crystal Structure of the C-terminal domain of the HIV-1 Integrase (subtype A2, mutant N254K, K340Q)
分子名称: NICKEL (II) ION, Pol protein
著者Ruff, M, Negroni, M.
登録日2019-10-18
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.003 Å)
主引用文献NKNK: a New Essential Motif in the C-Terminal Domain of HIV-1 Group M Integrases.
J.Virol., 94, 2020
4LH5
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BU of 4lh5 by Molmil
Dual inhibition of HIV-1 replication by Integrase-LEDGF allosteric inhibitors is predominant at post-integration stage during virus production rather than at integration
分子名称: (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid, Integrase, MAGNESIUM ION
著者Ruff, M, Levy, N, Eiler, S.
登録日2013-06-30
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Dual inhibition of HIV-1 replication by integrase-LEDGF allosteric inhibitors is predominant at the post-integration stage.
Retrovirology, 10, 2013
4LH4
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Dual inhibition of HIV-1 replication by Integrase-LEDGF allosteric inhibitors is predominant at post-integration stage during virus production rather than at integration
分子名称: Integrase, MAGNESIUM ION
著者Ruff, M, Levy, N, Eiler, S.
登録日2013-06-30
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Dual inhibition of HIV-1 replication by integrase-LEDGF allosteric inhibitors is predominant at the post-integration stage.
Retrovirology, 10, 2013
5OI8
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BU of 5oi8 by Molmil
Dissociation of biochemical and antiretroviral activities of Integrase-LEDGF Allosteric Inhibitors revealed by resistance of A125 polymorphic HIV-1
分子名称: (2~{S})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-4-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, MAGNESIUM ION, Pol protein, ...
著者Ruff, M, Benarous, R.
登録日2017-07-18
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-function analyses unravel distinct effects of allosteric inhibitors of HIV-1 integrase on viral maturation and integration.
J. Biol. Chem., 293, 2018
5OI5
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BU of 5oi5 by Molmil
Dissociation of biochemical and antiretroviral activities of Integrase-LEDGF Allosteric Inhibitors revealed by resistance of A125 polymorphic HIV-1
分子名称: (2~{S})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-2-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, MAGNESIUM ION
著者Ruff, M, Benarous, R.
登録日2017-07-18
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-function analyses unravel distinct effects of allosteric inhibitors of HIV-1 integrase on viral maturation and integration.
J. Biol. Chem., 293, 2018
5OI3
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BU of 5oi3 by Molmil
Dissociation of biochemical and antiretroviral activities of Integrase-LEDGF Allosteric Inhibitors revealed by resistance of A125 polymorphic HIV-1
分子名称: Integrase, MAGNESIUM ION
著者Ruff, M, Benarous, R.
登録日2017-07-18
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-function analyses unravel distinct effects of allosteric inhibitors of HIV-1 integrase on viral maturation and integration.
J. Biol. Chem., 293, 2018
5OIA
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BU of 5oia by Molmil
Dissociation of biochemical and antiretroviral activities of Integrase-LEDGF Allosteric Inhibitors revealed by resistance of A125 polymorphic HIV-1
分子名称: (2~{S})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-2-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, MAGNESIUM ION, Pol protein, ...
著者Ruff, M, Benarous, R.
登録日2017-07-18
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-function analyses unravel distinct effects of allosteric inhibitors of HIV-1 integrase on viral maturation and integration.
J. Biol. Chem., 293, 2018
5OI2
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BU of 5oi2 by Molmil
Dissociation of biochemical and antiretroviral activities of Integrase-LEDGF Allosteric Inhibitors revealed by resistance of A125 polymorphic HIV-1
分子名称: (2~{S})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-4-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, MAGNESIUM ION, ...
著者Ruff, M, Benarous, R.
登録日2017-07-18
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-function analyses unravel distinct effects of allosteric inhibitors of HIV-1 integrase on viral maturation and integration.
J. Biol. Chem., 293, 2018
5HY8
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Glycation restrains allosteric transition in hemoglobin: The molecular basis of oxidative stress under hyperglycemic conditions in diabetes
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, OXYGEN MOLECULE, ...
著者Saraswathi, N.T, Pannu, N.S, Syakhovich, V.E, Saurabh, A, Bokut, S.B, Moras, D, Ruff, M.
登録日2016-02-01
公開日2017-02-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Glycation restrains allosteric transition in hemoglobin: The molecular basis of oxidative stress under hyperglycemic conditions in diabetes
To Be Published
1HV5
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CRYSTAL STRUCTURE OF THE STROMELYSIN-3 (MMP-11) CATALYTIC DOMAIN COMPLEXED WITH A PHOSPHINIC INHIBITOR
分子名称: 1-BENZYLOXYCARBONYLAMINO-2-PHENYL-ETHYL)-{2-[1-CARBAMOYL-2-(1H-INDOL-3-YL)-ETHYLCARBAMOYL]-5-PHENYL-PENTYL}-PHOSPHINIC ACID, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CALCIUM ION, ...
著者Gall, A.L, Ruff, M, Kannan, R, Cuniasse, P, Yiotakis, A, Dive, V, Rio, M.C, Basset, P, Moras, D.
登録日2001-01-08
公開日2001-03-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the stromelysin-3 (MMP-11) catalytic domain complexed with a phosphinic inhibitor mimicking the transition-state.
J.Mol.Biol., 307, 2001
3B75
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Crystal Structure of Glycated Human Haemoglobin
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, OXYGEN MOLECULE, ...
著者Saraswathi, N.T, Syakhovich, V.E, Bokut, S.B, Moras, D, Ruff, M.
登録日2007-10-30
公開日2008-10-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The effect of hemoglobin glycosylation on diabete linked oxidative stress
To be Published
4DMA
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BU of 4dma by Molmil
Crystal structure of ERa LBD in complex with RU100132
分子名称: 2'-bromo-6'-(furan-3-yl)-4'-(hydroxymethyl)biphenyl-4-ol, Estrogen receptor, Nuclear receptor coactivator 1
著者Osz, J, Brelivet, Y, Peluso-Iltis, C, Cura, V, Eiler, S, Ruff, M, Bourguet, W, Rochel, N, Moras, D.
登録日2012-02-07
公開日2012-03-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for a molecular allosteric control mechanism of cofactor binding to nuclear receptors.
Proc.Natl.Acad.Sci.USA, 109, 2012
2LBD
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BU of 2lbd by Molmil
LIGAND-BINDING DOMAIN OF THE HUMAN RETINOIC ACID RECEPTOR GAMMA BOUND TO ALL-TRANS RETINOIC ACID
分子名称: RETINOIC ACID, RETINOIC ACID RECEPTOR GAMMA
著者Renaud, J.-P, Rochel, N, Ruff, M, Moras, D, Structural Proteomics in Europe (SPINE)
登録日1997-08-19
公開日1997-11-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Crystal structure of the RAR-gamma ligand-binding domain bound to all-trans retinoic acid.
Nature, 378, 1995
4DM6
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Crystal structure of RARb LBD homodimer in complex with TTNPB
分子名称: 4-[(1E)-2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PROP-1-ENYL]BENZOIC ACID, Nuclear receptor coactivator 1, Retinoic acid receptor beta
著者Osz, J, Brelivet, Y, Peluso-Iltis, C, Cura, V, Eiler, S, Ruff, M, Bourguet, W, Rochel, N, Moras, D.
登録日2012-02-07
公開日2012-03-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for a molecular allosteric control mechanism of cofactor binding to nuclear receptors.
Proc.Natl.Acad.Sci.USA, 109, 2012

 

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