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PDB: 481 件

8OWQ
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Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and 2-(1-(3,4-dihydroxyphenyl)-5-phenyl-1H-indol-3-yl)-2-oxoacetic acid
分子名称: 2-[1-[3,4-bis(oxidanyl)phenyl]-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid, CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, ...
著者Mendes, V, Blundell, T.L.
登録日2023-04-28
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.106 Å)
主引用文献Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.
To Be Published
1QIB
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CRYSTAL STRUCTURE OF GELATINASE A CATALYTIC DOMAIN
分子名称: 72 kDa type IV collagenase, CALCIUM ION, ZINC ION
著者Dhanaraj, V, Williams, M.G, Ye, Q.-Z, Molina, F, Johnson, L.L, Ortwine, D.F, Pavlovsky, A, Rubin, J.R, Skeean, R.W, White, A.D, Humblet, C, Hupe, D.J, Blundell, T.L.
登録日1999-06-11
公開日1999-11-19
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献X-ray structure of gelatinase A catalytic domain complexed with a hydroxamate inhibitor
Croatica Chemica Acta, 72, 1999
5J1R
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Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with 3-(furan-3-yl)-1-(pyrrolidin-1-yl)propan-1-one at 1.92A resolution
分子名称: 3-(furan-3-yl)-1-(pyrrolidin-1-yl)propan-1-one, EthR
著者Blaszczyk, M, Surade, S, Nikiforov, P.O, Abell, C, Blundell, T.L.
登録日2016-03-29
公開日2017-03-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays.
ACS Chem. Biol., 12, 2017
1GP9
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A New Crystal Form of the Nk1 Splice Variant of Hgf/Sf Demonstrates Extensive Hinge Movement and Suggests that the Nk1 Dimer Originates by Domain Swapping
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEPATOCYTE GROWTH FACTOR
著者Watanabe, K, Chirgadze, D.Y, Lietha, D, Gherardi, E, Blundell, T.L.
登録日2001-10-31
公開日2001-11-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A New Crystal Form of the Nk1 Splice Variant of Hgf/Sf Demonstrates Extensive Hinge Movement and Suggests that the Nk1 Dimer Originates by Domain Swapping
J.Mol.Biol., 319, 2002
8OWB
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Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and 2-(5-bromo-1-(4-hydroxyphenyl)-1H-indol-3-yl)-2-oxoacetic acid
分子名称: 2-[5-bromanyl-1-(4-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid, CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, ...
著者Mendes, V, Blundell, T.L.
登録日2023-04-27
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.
To Be Published
8OW5
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Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and 5-methoxy-1H-indole-2-carboxylic acid
分子名称: 5-methoxy-1H-indole-2-carboxylic acid, CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, ...
著者Mendes, V, Blundell, T.L.
登録日2023-04-27
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.
To Be Published
3ER5
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THE ACTIVE SITE OF ASPARTIC PROTEINASES
分子名称: ENDOTHIAPEPSIN, H-189
著者Bailey, D, Veerapandian, B, Cooper, J, Szelke, M, Blundell, T.L.
登録日1991-01-05
公開日1991-04-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray-crystallographic studies of complexes of pepstatin A and a statine-containing human renin inhibitor with endothiapepsin.
Biochem.J., 289 ( Pt 2), 1993
3ER3
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The active site of aspartic proteinases
分子名称: 6-ammonio-N-[(2R,4R,5R)-5-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)hexanoyl]-L-norleucylphenylalanine, ENDOTHIAPEPSIN
著者Al-Karadaghi, S, Cooper, J.B, Veerapandian, B, Hoover, D, Blundell, T.L.
登録日1991-01-02
公開日1991-04-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Active Site of Aspartic Proteinases
FEBS Lett., 174, 1984
3PHV
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X-RAY ANALYSIS OF HIV-1 PROTEINASE AT 2.7 ANGSTROMS RESOLUTION CONFIRMS STRUCTURAL HOMOLOGY AMONG RETROVIRAL ENZYMES
分子名称: UNLIGANDED HIV-1 PROTEASE
著者Lapatto, R, Blundell, T.L, Hemmings, A, Wilderspin, A, Wood, S.P, Danley, D.E, Geoghegan, K.F, Hawrylik, S.J, Hobart, P.M.
登録日1991-11-04
公開日1992-01-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献X-ray analysis of HIV-1 proteinase at 2.7 A resolution confirms structural homology among retroviral enzymes.
Nature, 342, 1989
4ER4
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HIGH-RESOLUTION X-RAY ANALYSES OF RENIN INHIBITOR-ASPARTIC PROTEINASE COMPLEXES
分子名称: ENDOTHIAPEPSIN, H-142
著者Foundling, S.I, Watson, F.E, Szelke, M, Blundell, T.L.
登録日1991-01-05
公開日1991-04-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献High resolution X-ray analyses of renin inhibitor-aspartic proteinase complexes.
Nature, 327, 1987
8QID
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Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with fragment
分子名称: 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L.
登録日2023-09-12
公開日2024-07-24
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献A fragment based competitive 19F LB-NMR platform for hotspot directed ligand profiling.
Angew.Chem.Int.Ed.Engl., 2024
8QJ8
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Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor
分子名称: 3-[3-(3-azanyl-2-cyano-phenyl)indol-1-yl]propanoic acid, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L.
登録日2023-09-12
公開日2024-07-24
実験手法X-RAY DIFFRACTION (1.538 Å)
主引用文献A fragment based competitive 19F LB-NMR platform for hotspot directed ligand profiling.
Angew.Chem.Int.Ed.Engl., 2024
8QIX
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Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor
分子名称: 3-(3-methylindol-1-yl)-~{N}-(4-phenoxyphenyl)sulfonyl-propanamide, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L.
登録日2023-09-12
公開日2024-07-24
実験手法X-RAY DIFFRACTION (1.579 Å)
主引用文献A fragment based competitive 19F LB-NMR platform for hotspot directed ligand profiling.
Angew.Chem.Int.Ed.Engl., 2024
8QIY
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BU of 8qiy by Molmil
Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor
分子名称: 1-(2-aminophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L.
登録日2023-09-12
公開日2024-07-24
実験手法X-RAY DIFFRACTION (1.5149 Å)
主引用文献A fragment based competitive 19F LB-NMR platform for hotspot directed ligand profiling.
Angew.Chem.Int.Ed.Engl., 2024
6HXT
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BU of 6hxt by Molmil
Crystal structure of the head domain of human CCDC61
分子名称: Coiled-coil domain-containing protein 61
著者Ochi, T, Blundell, T.L, van Breugel, M.
登録日2018-10-18
公開日2020-04-29
最終更新日2020-06-10
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献CCDC61/VFL3 Is a Paralog of SAS6 and Promotes Ciliary Functions.
Structure, 28, 2020
6MJY
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M. thermoresistible GuaB2 delta-CBS in complex with 6Cl-IMP
分子名称: 6-CHLOROPURINE RIBOSIDE, 5'-MONOPHOSPHATE, Inosine-5'-monophosphate dehydrogenase
著者Ascher, D.B, Pacitto, A, Blundell, T.L.
登録日2018-09-23
公開日2019-09-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Covalent inactivation of Mycobacterium thermoresistibile inosine-5'-monophosphate dehydrogenase (IMPDH).
Bioorg.Med.Chem.Lett., 30, 2020
4ER1
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THE ACTIVE SITE OF ASPARTIC PROTEINASES
分子名称: ENDOTHIAPEPSIN, N-[(1R,2R,4R)-1-(cyclohexylmethyl)-2-hydroxy-6-methyl-4-{[(2R)-2-methylbutyl]carbamoyl}heptyl]-3-(1H-imidazol-3-ium-4-yl)-N~2~-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]-L-alaninamide
著者Quail, J.W, Cooper, J.B, Szelke, M, Blundell, T.L.
登録日1990-10-14
公開日1991-01-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The active site of aspartic proteinases
FEBS Lett., 174, 1984
4ER2
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The active site of aspartic proteinases
分子名称: ENDOTHIAPEPSIN, PEPSTATIN, SULFATE ION
著者Bailey, D, Veerapandian, B, Cooper, J.B, Blundell, T.L.
登録日1990-10-20
公開日1991-01-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The active site of aspartic proteinases
FEBS Lett., 174, 1984
2ER9
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X-RAY STUDIES OF ASPARTIC PROTEINASE-STATINE INHIBITOR COMPLEXES.
分子名称: ENDOTHIAPEPSIN, L363,564
著者Cooper, J.B, Foundling, S.I, Boger, J, Blundell, T.L.
登録日1990-10-20
公開日1991-01-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献X-ray studies of aspartic proteinase-statine inhibitor complexes.
Biochemistry, 28, 1989
2ER7
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X-RAY ANALYSES OF ASPARTIC PROTEINASES.III. THREE-DIMENSIONAL STRUCTURE OF ENDOTHIAPEPSIN COMPLEXED WITH A TRANSITION-STATE ISOSTERE INHIBITOR OF RENIN AT 1.6 ANGSTROMS RESOLUTION
分子名称: ENDOTHIAPEPSIN, SULFATE ION, TRANSITION-STATE ISOSTERE INHIBITOR OF RENIN
著者Veerapandian, B, Cooper, J.B, Szelke, M, Blundell, T.L.
登録日1990-11-12
公開日1991-01-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献X-ray analyses of aspartic proteinases. III Three-dimensional structure of endothiapepsin complexed with a transition-state isostere inhibitor of renin at 1.6 A resolution.
J.Mol.Biol., 216, 1990
2ER6
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The structure of a synthetic pepsin inhibitor complexed with endothiapepsin.
分子名称: ENDOTHIAPEPSIN, H-256 peptide
著者Cooper, J.B, Foundling, S.I, Szelke, M, Blundell, T.L.
登録日1990-10-13
公開日1991-01-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structure of a synthetic pepsin inhibitor complexed with endothiapepsin
Eur.J.Biochem., 169, 1987
2ER0
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X-RAY STUDIES OF ASPARTIC PROTEINASE-STATINE INHIBITOR COMPLEXES
分子名称: ENDOTHIAPEPSIN, L364,099
著者Cooper, J.B, Foundling, S.I, Boger, J, Blundell, T.L.
登録日1990-10-20
公開日1991-01-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献X-ray studies of aspartic proteinase-statine inhibitor complexes.
Biochemistry, 28, 1989
4Y18
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Structure of BRCA1 BRCT domains in complex with Abraxas double phosphorylated peptide
分子名称: BRCA1-A complex subunit Abraxas, Breast cancer type 1 susceptibility protein
著者Wu, Q, Blundell, T.L.
登録日2015-02-06
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure of BRCA1-BRCT/Abraxas Complex Reveals Phosphorylation-Dependent BRCT Dimerization at DNA Damage Sites.
Mol.Cell, 61, 2016
6NVR
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Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in Apo form
分子名称: tRNA (guanine-N(1)-)-methyltransferase
著者Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V.M, Blundell, T.L.
登録日2019-02-05
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.562 Å)
主引用文献Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
6NW7
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Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with S-Adenosyl-L-homocysteine
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase
著者Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
登録日2019-02-06
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.481 Å)
主引用文献Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020

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件を2024-08-07に公開中

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