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PDB: 477 results

3IUE
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BU of 3iue by Molmil
Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(5-Methylpyridin-2-ylsulfonylcarbamoyl)-1H-indol-1-yl) acetic acid
Descriptor: (5-methoxy-2-{[(5-methylpyridin-2-yl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid, 1,2-ETHANEDIOL, ETHANOL, ...
Authors:Silvestre, H.L, Wen, S, Hung, A.W, Ciulli, A, Blundell, T.L, Abell, C.
Deposit date:2009-08-31
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase.
Angew.Chem.Int.Ed.Engl., 48, 2009
4EF6
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BU of 4ef6 by Molmil
Crystal Structure of Mycobacterium tuberculosis Pantothenate synthetase in complex with fragment 1
Descriptor: 1,2-ETHANEDIOL, 3-(1,3-benzodioxol-5-yl)propanoic acid, ETHANOL, ...
Authors:Silvestre, H.L, Ciulli, A, Abell, C, Blundell, T.
Deposit date:2012-03-29
Release date:2013-03-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery.
Proc.Natl.Acad.Sci.USA, 110, 2013
3MKP
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BU of 3mkp by Molmil
Crystal structure of 1K1 mutant of Hepatocyte Growth Factor/Scatter Factor fragment NK1 in complex with heparin
Descriptor: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Gherardi, E, Chirgadze, D.Y, Blundell, T.L.
Deposit date:2010-04-15
Release date:2010-08-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Engineering a fragment of Hepatocyte Growth Factor/Scatter Factor for tissue and organ regeneration
To be Published
3COW
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BU of 3cow by Molmil
Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.8 Ang resolution- in complex with sulphonamide inhibitor 2
Descriptor: 5'-O-{[(2R)-2-hydroxy-3,3-dimethylbutanoyl]sulfamoyl}adenosine, ETHANOL, GLYCEROL, ...
Authors:Ciulli, A, Chirgadze, D.Y, Blundell, T.L, Abell, C.
Deposit date:2008-03-29
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibition of Mycobacterium tuberculosis pantothenate synthetase by analogues of the reaction intermediate.
Chembiochem, 9, 2008
1AW8
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BU of 1aw8 by Molmil
PYRUVOYL DEPENDENT ASPARTATE DECARBOXYLASE
Descriptor: L-ASPARTATE-ALPHA-DECARBOXYLASE
Authors:Albert, A, Dhanaraj, V, Genschel, U, Khan, G, Ramjee, M.K, Pulido, R, Sybanda, B.L, von Delf, F, Witty, M, Blundell, T.L, Smith, A.G, Abell, C.
Deposit date:1997-10-12
Release date:1998-04-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of aspartate decarboxylase at 2.2 A resolution provides evidence for an ester in protein self-processing.
Nat.Struct.Biol., 5, 1998
1EPM
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BU of 1epm by Molmil
A STRUCTURAL COMPARISON OF 21 INHIBITOR COMPLEXES OF THE ASPARTIC PROTEINASE FROM ENDOTHIA PARASITICA
Descriptor: ENDOTHIAPEPSIN, PS2, THR-PHE-GLN-ALA-PSA-LEU-ARG-GLU, ...
Authors:Crawford, M, Cooper, J.B, Strop, P, Blundell, T.L.
Deposit date:1994-07-27
Release date:1994-12-20
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A structural comparison of 21 inhibitor complexes of the aspartic proteinase from Endothia parasitica.
Protein Sci., 3, 1994
1EPN
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BU of 1epn by Molmil
A STRUCTURAL COMPARISON OF 21 INHIBITOR COMPLEXES OF THE ASPARTIC PROTEINASE FROM ENDOTHIA PARASITICA
Descriptor: ENDOTHIAPEPSIN, N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R,2S)-1-(cyclohexylmethyl)-2-hydroxy-3-(1-methylethoxy)-3-oxopropyl]-S-methyl-L-cysteinamide, SULFATE ION
Authors:Crawford, M, Cooper, J.B, Blundell, T.L.
Deposit date:1994-07-27
Release date:1994-12-20
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A structural comparison of 21 inhibitor complexes of the aspartic proteinase from Endothia parasitica.
Protein Sci., 3, 1994
3COV
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BU of 3cov by Molmil
Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.5 Ang resolution- apo form
Descriptor: ETHANOL, GLYCEROL, Pantothenate synthetase, ...
Authors:Ciulli, A, Chirgadze, D.Y, Blundell, T.L, Abell, C.
Deposit date:2008-03-29
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Inhibition of Mycobacterium tuberculosis pantothenate synthetase by analogues of the reaction intermediate.
Chembiochem, 9, 2008
1EPL
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BU of 1epl by Molmil
A STRUCTURAL COMPARISON OF 21 INHIBITOR COMPLEXES OF THE ASPARTIC PROTEINASE FROM ENDOTHIA PARASITICA
Descriptor: ENDOTHIAPEPSIN, PS1, PRO-LEU-GLU-PSA-ARG-LEU
Authors:Al-Karadaghi, S, Cooper, J.B, Strop, P, Blundell, T.L.
Deposit date:1994-07-27
Release date:1994-12-20
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:A structural comparison of 21 inhibitor complexes of the aspartic proteinase from Endothia parasitica.
Protein Sci., 3, 1994
3DAR
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BU of 3dar by Molmil
Crystal structure of D2 domain from human FGFR2
Descriptor: Fibroblast growth factor receptor 2
Authors:Brown, A, Blundell, T.L.
Deposit date:2008-05-30
Release date:2008-06-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the FGFR2 D2 domain
To be Published
1EPR
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BU of 1epr by Molmil
ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH PD-135,040
Descriptor: ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide
Authors:Badasso, M, Crawford, M, Cooper, J.B, Blundell, T.L.
Deposit date:1994-07-27
Release date:1994-12-20
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A structural comparison of 21 inhibitor complexes of the aspartic proteinase from Endothia parasitica.
Protein Sci., 3, 1994
2FN0
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BU of 2fn0 by Molmil
Crystal structure of Yersinia enterocolitica salicylate synthase (Irp9)
Descriptor: ACETATE ION, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Kerbarh, O, Chirgadze, D.Y, Blundell, T.L, Abell, C.
Deposit date:2006-01-10
Release date:2006-02-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structures of Yersinia enterocolitica Salicylate Synthase and its Complex with the Reaction Products Salicylate and Pyruvate.
J.Mol.Biol., 357, 2006
3COY
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BU of 3coy by Molmil
Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 2.05 Ang resolution- in complex with sulphonamide inhibitor 3
Descriptor: 5'-O-[(3-methyl-D-valyl)sulfamoyl]adenosine, ETHANOL, GLYCEROL, ...
Authors:Ciulli, A, Chirgadze, D.Y, Blundell, T.L, Abell, C.
Deposit date:2008-03-29
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Inhibition of Mycobacterium tuberculosis pantothenate synthetase by analogues of the reaction intermediate.
Chembiochem, 9, 2008
3COZ
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BU of 3coz by Molmil
Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 2.0 Ang resolution- in complex with sulphonamide inhibitor 4
Descriptor: 5'-O-(D-valylsulfamoyl)adenosine, ETHANOL, GLYCEROL, ...
Authors:Ciulli, A, Chirgadze, D.Y, Blundell, T.L, Abell, C.
Deposit date:2008-03-29
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibition of Mycobacterium tuberculosis pantothenate synthetase by analogues of the reaction intermediate.
Chembiochem, 9, 2008
1BBS
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BU of 1bbs by Molmil
X-RAY ANALYSES OF PEPTIDE INHIBITOR COMPLEXES DEFINE THE STRUCTURAL BASIS OF SPECIFICITY FOR HUMAN AND MOUSE RENINS
Descriptor: RENIN
Authors:Dhanaraj, V, Blundell, T.L.
Deposit date:1992-05-21
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray analyses of peptide-inhibitor complexes define the structural basis of specificity for human and mouse renins.
Nature, 357, 1992
2FN1
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BU of 2fn1 by Molmil
Crystal structures of Yersinia enterocolitica salicylate synthase (Irp9) in complex with the reaction products salicylate and pyruvate
Descriptor: 2-HYDROXYBENZOIC ACID, MAGNESIUM ION, PYRUVIC ACID, ...
Authors:Kerbarh, O, Chirgadze, D.Y, Blundell, T.L, Abell, C.
Deposit date:2006-01-10
Release date:2006-02-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Yersinia enterocolitica Salicylate Synthase and its Complex with the Reaction Products Salicylate and Pyruvate.
J.Mol.Biol., 357, 2006
1B8Y
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BU of 1b8y by Molmil
X-RAY STRUCTURE OF HUMAN STROMELYSIN CATALYTIC DOMAIN COMPLEXED WITH NON-PEPTIDE INHIBITORS: IMPLICATIONS FOR INHIBITOR SELECTIVITY
Descriptor: CALCIUM ION, PROTEIN (STROMELYSIN-1), SULFATE ION, ...
Authors:Pavlovsky, A.G, Williams, M.G, Ye, Q.-Z, Ortwine, D.F, Purchase II, C.F, White, A.D, Dhanaraj, V, Roth, B.D, Johnson, L.L, Hupe, D, Humblet, C, Blundell, T.L.
Deposit date:1999-02-03
Release date:1999-08-31
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray structure of human stromelysin catalytic domain complexed with nonpeptide inhibitors: implications for inhibitor selectivity.
Protein Sci., 8, 1999
1CAQ
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BU of 1caq by Molmil
X-RAY STRUCTURE OF HUMAN STROMELYSIN CATALYTIC DOMAIN COMPLEXES WITH NON-PEPTIDE INHIBITORS: IMPLICATION FOR INHIBITOR SELECTIVITY
Descriptor: 3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-PROPIONIC ACID, CALCIUM ION, PROTEIN (STROMELYSIN-1), ...
Authors:Pavlovsky, A.G, Williams, M.G, Ye, Q.-Z, Ortwine, D.F, Purchase II, C.F, White, A.D, Dhanaraj, V, Roth, B.D, Johnson, L.L, Hupe, D, Humblet, C, Blundell, T.L.
Deposit date:1999-02-23
Release date:1999-07-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray structure of human stromelysin catalytic domain complexed with nonpeptide inhibitors: implications for inhibitor selectivity.
Protein Sci., 8, 1999
1BET
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BU of 1bet by Molmil
NEW PROTEIN FOLD REVEALED BY A 2.3 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF NERVE GROWTH FACTOR
Descriptor: BETA-NERVE GROWTH FACTOR
Authors:Mcdonald, N.Q, Lapatto, R, Murray-Rust, J, Gunning, J, Wlodawer, A, Blundell, T.L.
Deposit date:1993-04-08
Release date:1994-05-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:New protein fold revealed by a 2.3-A resolution crystal structure of nerve growth factor.
Nature, 354, 1991
4KG0
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BU of 4kg0 by Molmil
Crystal structure of the drosophila melanogaster neuralized-nhr1 domain
Descriptor: MAGNESIUM ION, Protein neuralized
Authors:Gupta, D, Ehebauer, M.T, Chirgadze, D.Y, Bolanos-Garcia, V.M, Blundell, T.L.
Deposit date:2013-04-28
Release date:2014-01-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure, biochemical and biophysical characterisation of NHR1 domain of E3 Ubiquitin ligase neutralized
Advances in Enzyme Research, 1, 2013
1CIZ
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BU of 1ciz by Molmil
X-RAY STRUCTURE OF HUMAN STROMELYSIN CATALYTIC DOMAIN COMPLEXES WITH NON-PEPTIDE INHIBITORS: IMPLICATION FOR INHIBITOR SELECTIVITY
Descriptor: 3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-PROPIONIC ACID, CALCIUM ION, PROTEIN (STROMELYSIN-1), ...
Authors:Pavlovsky, A.G, Williams, M.G, Ye, Q.-Z, Ortwine, D.F, Purchase II, C.F, White, A.D, Dhanaraj, V, Roth, B.D, Johnson, L.L, Hupe, D, Humblet, C, Blundell, T.L.
Deposit date:1999-04-06
Release date:1999-09-01
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:X-ray structure of human stromelysin catalytic domain complexed with nonpeptide inhibitors: implications for inhibitor selectivity.
Protein Sci., 8, 1999
4B3C
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BU of 4b3c by Molmil
Humanised monomeric RadA in complex with 5-hydroxy indole
Descriptor: 1H-indol-5-ol, DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION
Authors:Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M.
Deposit date:2012-07-23
Release date:2013-02-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Using a Fragment-Based Approach to Target Protein-Protein Interactions.
Chembiochem, 14, 2013
4B32
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BU of 4b32 by Molmil
Humanised monomeric RadA in complex with napht-1-ol
Descriptor: DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION, naphthalen-2-ol
Authors:Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M.
Deposit date:2012-07-20
Release date:2013-02-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Using a Fragment-Based Approach to Target Protein-Protein Interactions.
Chembiochem, 14, 2013
5K4Z
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BU of 5k4z by Molmil
M. thermoresistible IMPDH in complex with IMP and Compound 6
Descriptor: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, ~{N}-(4-fluorophenyl)-4-(2~{H}-indazol-6-ylsulfamoyl)-3,5-dimethyl-1~{H}-pyrrole-2-carboxamide
Authors:Pacitto, A, Ascher, D.B, Blundell, T.L.
Deposit date:2016-05-22
Release date:2016-10-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Essential but Not Vulnerable: Indazole Sulfonamides Targeting Inosine Monophosphate Dehydrogenase as Potential Leads against Mycobacterium tuberculosis.
ACS Infect Dis, 3, 2017
5K4X
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BU of 5k4x by Molmil
M. thermoresistible IMPDH in complex with IMP and Compound 1
Descriptor: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, ~{N}-(2~{H}-indazol-6-yl)-3,5-dimethyl-1~{H}-pyrazole-4-sulfonamide
Authors:Pacitto, A, Ascher, D.B, Blundell, T.L.
Deposit date:2016-05-22
Release date:2016-10-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Essential but Not Vulnerable: Indazole Sulfonamides Targeting Inosine Monophosphate Dehydrogenase as Potential Leads against Mycobacterium tuberculosis.
ACS Infect Dis, 3, 2017

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