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PDB: 481 results

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
Descriptor: 2-[1-[3,4-bis(oxidanyl)phenyl]-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid, CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Mendes, V, Blundell, T.L.
Deposit date:2023-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.106 Å)
Cite:Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.
To Be Published
1QIB
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BU of 1qib by Molmil
CRYSTAL STRUCTURE OF GELATINASE A CATALYTIC DOMAIN
Descriptor: 72 kDa type IV collagenase, CALCIUM ION, ZINC ION
Authors: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.
Deposit date:1999-06-11
Release date:1999-11-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray structure of gelatinase A catalytic domain complexed with a hydroxamate inhibitor
Croatica Chemica Acta, 72, 1999
5J1R
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BU of 5j1r by Molmil
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
Descriptor: 3-(furan-3-yl)-1-(pyrrolidin-1-yl)propan-1-one, EthR
Authors:Blaszczyk, M, Surade, S, Nikiforov, P.O, Abell, C, Blundell, T.L.
Deposit date:2016-03-29
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite: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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BU of 1gp9 by Molmil
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
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEPATOCYTE GROWTH FACTOR
Authors:Watanabe, K, Chirgadze, D.Y, Lietha, D, Gherardi, E, Blundell, T.L.
Deposit date:2001-10-31
Release date:2001-11-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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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BU of 8owb by Molmil
Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and 2-(5-bromo-1-(4-hydroxyphenyl)-1H-indol-3-yl)-2-oxoacetic acid
Descriptor: 2-[5-bromanyl-1-(4-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid, CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Mendes, V, Blundell, T.L.
Deposit date:2023-04-27
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.
To Be Published
8OW5
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BU of 8ow5 by Molmil
Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and 5-methoxy-1H-indole-2-carboxylic acid
Descriptor: 5-methoxy-1H-indole-2-carboxylic acid, CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Mendes, V, Blundell, T.L.
Deposit date:2023-04-27
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.
To Be Published
3ER5
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BU of 3er5 by Molmil
THE ACTIVE SITE OF ASPARTIC PROTEINASES
Descriptor: ENDOTHIAPEPSIN, H-189
Authors:Bailey, D, Veerapandian, B, Cooper, J, Szelke, M, Blundell, T.L.
Deposit date:1991-01-05
Release date:1991-04-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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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BU of 3er3 by Molmil
The active site of aspartic proteinases
Descriptor: 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
Authors:Al-Karadaghi, S, Cooper, J.B, Veerapandian, B, Hoover, D, Blundell, T.L.
Deposit date:1991-01-02
Release date:1991-04-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Active Site of Aspartic Proteinases
FEBS Lett., 174, 1984
3PHV
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BU of 3phv by Molmil
X-RAY ANALYSIS OF HIV-1 PROTEINASE AT 2.7 ANGSTROMS RESOLUTION CONFIRMS STRUCTURAL HOMOLOGY AMONG RETROVIRAL ENZYMES
Descriptor: UNLIGANDED HIV-1 PROTEASE
Authors:Lapatto, R, Blundell, T.L, Hemmings, A, Wilderspin, A, Wood, S.P, Danley, D.E, Geoghegan, K.F, Hawrylik, S.J, Hobart, P.M.
Deposit date:1991-11-04
Release date:1992-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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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BU of 4er4 by Molmil
HIGH-RESOLUTION X-RAY ANALYSES OF RENIN INHIBITOR-ASPARTIC PROTEINASE COMPLEXES
Descriptor: ENDOTHIAPEPSIN, H-142
Authors:Foundling, S.I, Watson, F.E, Szelke, M, Blundell, T.L.
Deposit date:1991-01-05
Release date:1991-04-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:High resolution X-ray analyses of renin inhibitor-aspartic proteinase complexes.
Nature, 327, 1987
8QID
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BU of 8qid by Molmil
Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with fragment
Descriptor: 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L.
Deposit date:2023-09-12
Release date:2024-07-24
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:A fragment based competitive 19F LB-NMR platform for hotspot directed ligand profiling.
Angew.Chem.Int.Ed.Engl., 2024
8QJ8
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BU of 8qj8 by Molmil
Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor
Descriptor: 3-[3-(3-azanyl-2-cyano-phenyl)indol-1-yl]propanoic acid, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L.
Deposit date:2023-09-12
Release date:2024-07-24
Method:X-RAY DIFFRACTION (1.538 Å)
Cite:A fragment based competitive 19F LB-NMR platform for hotspot directed ligand profiling.
Angew.Chem.Int.Ed.Engl., 2024
8QIX
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BU of 8qix by Molmil
Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor
Descriptor: 3-(3-methylindol-1-yl)-~{N}-(4-phenoxyphenyl)sulfonyl-propanamide, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L.
Deposit date:2023-09-12
Release date:2024-07-24
Method:X-RAY DIFFRACTION (1.579 Å)
Cite: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
Descriptor: 1-(2-aminophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L.
Deposit date:2023-09-12
Release date:2024-07-24
Method:X-RAY DIFFRACTION (1.5149 Å)
Cite: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
Descriptor: Coiled-coil domain-containing protein 61
Authors:Ochi, T, Blundell, T.L, van Breugel, M.
Deposit date:2018-10-18
Release date:2020-04-29
Last modified:2020-06-10
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:CCDC61/VFL3 Is a Paralog of SAS6 and Promotes Ciliary Functions.
Structure, 28, 2020
6MJY
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BU of 6mjy by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with 6Cl-IMP
Descriptor: 6-CHLOROPURINE RIBOSIDE, 5'-MONOPHOSPHATE, Inosine-5'-monophosphate dehydrogenase
Authors:Ascher, D.B, Pacitto, A, Blundell, T.L.
Deposit date:2018-09-23
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Covalent inactivation of Mycobacterium thermoresistibile inosine-5'-monophosphate dehydrogenase (IMPDH).
Bioorg.Med.Chem.Lett., 30, 2020
4ER1
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BU of 4er1 by Molmil
THE ACTIVE SITE OF ASPARTIC PROTEINASES
Descriptor: 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
Authors:Quail, J.W, Cooper, J.B, Szelke, M, Blundell, T.L.
Deposit date:1990-10-14
Release date:1991-01-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:The active site of aspartic proteinases
FEBS Lett., 174, 1984
4ER2
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BU of 4er2 by Molmil
The active site of aspartic proteinases
Descriptor: ENDOTHIAPEPSIN, PEPSTATIN, SULFATE ION
Authors:Bailey, D, Veerapandian, B, Cooper, J.B, Blundell, T.L.
Deposit date:1990-10-20
Release date:1991-01-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:The active site of aspartic proteinases
FEBS Lett., 174, 1984
2ER9
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BU of 2er9 by Molmil
X-RAY STUDIES OF ASPARTIC PROTEINASE-STATINE INHIBITOR COMPLEXES.
Descriptor: ENDOTHIAPEPSIN, L363,564
Authors:Cooper, J.B, Foundling, S.I, Boger, J, Blundell, T.L.
Deposit date:1990-10-20
Release date:1991-01-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray studies of aspartic proteinase-statine inhibitor complexes.
Biochemistry, 28, 1989
2ER7
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BU of 2er7 by Molmil
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
Descriptor: ENDOTHIAPEPSIN, SULFATE ION, TRANSITION-STATE ISOSTERE INHIBITOR OF RENIN
Authors:Veerapandian, B, Cooper, J.B, Szelke, M, Blundell, T.L.
Deposit date:1990-11-12
Release date:1991-01-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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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BU of 2er6 by Molmil
The structure of a synthetic pepsin inhibitor complexed with endothiapepsin.
Descriptor: ENDOTHIAPEPSIN, H-256 peptide
Authors:Cooper, J.B, Foundling, S.I, Szelke, M, Blundell, T.L.
Deposit date:1990-10-13
Release date:1991-01-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structure of a synthetic pepsin inhibitor complexed with endothiapepsin
Eur.J.Biochem., 169, 1987
2ER0
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BU of 2er0 by Molmil
X-RAY STUDIES OF ASPARTIC PROTEINASE-STATINE INHIBITOR COMPLEXES
Descriptor: ENDOTHIAPEPSIN, L364,099
Authors:Cooper, J.B, Foundling, S.I, Boger, J, Blundell, T.L.
Deposit date:1990-10-20
Release date:1991-01-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:X-ray studies of aspartic proteinase-statine inhibitor complexes.
Biochemistry, 28, 1989
4Y18
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BU of 4y18 by Molmil
Structure of BRCA1 BRCT domains in complex with Abraxas double phosphorylated peptide
Descriptor: BRCA1-A complex subunit Abraxas, Breast cancer type 1 susceptibility protein
Authors:Wu, Q, Blundell, T.L.
Deposit date:2015-02-06
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of BRCA1-BRCT/Abraxas Complex Reveals Phosphorylation-Dependent BRCT Dimerization at DNA Damage Sites.
Mol.Cell, 61, 2016
6NVR
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BU of 6nvr by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in Apo form
Descriptor: tRNA (guanine-N(1)-)-methyltransferase
Authors:Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V.M, Blundell, T.L.
Deposit date:2019-02-05
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.562 Å)
Cite:Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
6NW7
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BU of 6nw7 by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with S-Adenosyl-L-homocysteine
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase
Authors:Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
Deposit date:2019-02-06
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.481 Å)
Cite:Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020

223532

数据于2024-08-07公开中

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