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PDB: 518 件
5O0B
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BU of 5o0b by Molmil
Crystal structure of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus in complex with 3-Bromo-1H-indazole-5-carboxylic acid (Fragment 2)
分子名称: 3-bromanyl-1~{H}-indazole-5-carboxylic acid, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Kim, S.Y, Mendes, V, Blaszczyk, M, Blundell, T.L.
登録日2017-05-16
公開日2017-06-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.735 Å)
主引用文献Structural Biology and the Design of New Therapeutics: From HIV and Cancer to Mycobacterial Infections: A Paper Dedicated to John Kendrew.
J. Mol. Biol., 429, 2017
4G5Y
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Crystal Structure of Mycobacterium tuberculosis Pantothenate synthetase in a ternary complex with ATP and N,N-DIMETHYLTHIOPHENE-3-SULFONAMIDE
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ETHANOL, GLYCEROL, ...
著者Ciulli, A, Silvestre, H.L, Blundell, T.L, Abell, C.
登録日2012-07-18
公開日2013-07-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery.
Proc.Natl.Acad.Sci.USA, 110, 2013
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
分子名称: CALCIUM ION, PROTEIN (STROMELYSIN-1), SULFATE ION, ...
著者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.
登録日1999-02-03
公開日1999-08-31
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray structure of human stromelysin catalytic domain complexed with nonpeptide inhibitors: implications for inhibitor selectivity.
Protein Sci., 8, 1999
1Z56
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Co-Crystal Structure of Lif1p-Lig4p
分子名称: DNA ligase IV, Ligase interacting factor 1
著者Dore, A.S, Furnham, N, Davies, O.R, Sibanda, B.L, Chirgadze, D.Y, Jackson, S.P, Pellegrini, L, Blundell, T.L.
登録日2005-03-17
公開日2006-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.92 Å)
主引用文献Structure of an Xrcc4-DNA ligase IV yeast ortholog complex reveals a novel BRCT interaction mode.
DNA REPAIR, 5, 2006
5OU1
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M. thermoresistible IMPDH in complex with IMP and Compound 1 (7759844)
分子名称: (2~{S})-~{N}-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase
著者Ascher, D.B, Pacitto, A, Blundell, T.L.
登録日2017-08-23
公開日2018-03-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Fragment-Based Approach to Targeting Inosine-5'-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis.
J. Med. Chem., 61, 2018
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
分子名称: BETA-NERVE GROWTH FACTOR
著者Mcdonald, N.Q, Lapatto, R, Murray-Rust, J, Gunning, J, Wlodawer, A, Blundell, T.L.
登録日1993-04-08
公開日1994-05-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献New protein fold revealed by a 2.3-A resolution crystal structure of nerve growth factor.
Nature, 354, 1991
5OU3
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M. thermoresistible IMPDH in complex with IMP and Compound 31 (AT080)
分子名称: (2~{S})-~{N}-[5-(4-bromophenyl)-1~{H}-imidazol-2-yl]-2-[4-(1-methylimidazol-4-yl)phenoxy]propanamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase
著者Ascher, D.B, Pacitto, A, Blundell, T.L.
登録日2017-08-23
公開日2018-03-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fragment-Based Approach to Targeting Inosine-5'-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis.
J. Med. Chem., 61, 2018
5OU2
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M. thermoresistible IMPDH in complex with IMP and Compound 2 (NMR744)
分子名称: 4-(4-bromophenyl)-1H-imidazole, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase
著者Ascher, D.B, Pacitto, A, Blundell, T.L.
登録日2017-08-23
公開日2018-03-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Fragment-Based Approach to Targeting Inosine-5'-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis.
J. Med. Chem., 61, 2018
1YJQ
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BU of 1yjq by Molmil
Crystal structure of ketopantoate reductase in complex with NADP+
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-dehydropantoate 2-reductase, ACETATE ION, ...
著者Lobley, C.M.C, Ciulli, A, Whitney, H.M, Williams, G, Smith, A.G, Abell, C, Blundell, T.L.
登録日2005-01-15
公開日2005-06-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The crystal structure of Escherichia coli ketopantoate reductase with NADP+ bound.
Biochemistry, 44, 2005
2ASU
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BU of 2asu by Molmil
Crystal Structure of the beta-chain of HGFl/MSP
分子名称: Hepatocyte growth factor-like protein
著者Carafoli, F, Chirgadze, D.Y, Blundell, T.L, Gherardi, E.
登録日2005-08-24
公開日2005-11-10
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of the beta-chain of human hepatocyte growth factor-like/macrophage stimulating protein.
Febs J., 272, 2005
1YON
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BU of 1yon by Molmil
Escherichia coli ketopantoate reductase in complex with 2-monophosphoadenosine-5'-diphosphate
分子名称: 2-dehydropantoate 2-reductase, [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4R,5R)-3,4,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
著者Ciulli, A, Lobley, C.M.C, Tuck, K.L, Williams, G, Smith, A.G, Blundell, T.L, Abell, C.
登録日2005-01-28
公開日2006-04-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献pH-tuneable binding of 2'-phospho-ADP-ribose to ketopantoate reductase: a structural and calorimetric study.
Acta Crystallogr.,Sect.D, 63, 2007
2J66
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Structural characterisation of BtrK decarboxylase from butirosin biosynthesis
分子名称: 1,2-ETHANEDIOL, BTRK, PYRIDOXAL-5'-PHOSPHATE
著者Popovic, B, Li, Y, Chirgadze, D.Y, Blundell, T.L, Spencer, J.B.
登録日2006-09-26
公開日2006-09-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural Characterisation of Btrk Decarboxylase from Bacillus Circulans Butirosin Biosynthesis
To be Published
1Y5R
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BU of 1y5r by Molmil
The crystal structure of murine 11b-hydroxysteroid dehydrogenase complexed with corticosterone
分子名称: CORTICOSTERONE, Corticosteroid 11-beta-dehydrogenase, isozyme 1, ...
著者Zhang, J, Osslund, T.D, Plant, M.H, Clogston, C.L, Nybo, R.E, Xiong, F, Delaney, J.M, Jordan, S.
登録日2004-12-02
公開日2005-05-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structure of Murine 11-Hydroxysteroid Dehydrogenase 1: An Important Therapeutic Target for Diabetes
Biochemistry, 44, 2005
1Y5M
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The crystal structure of murine 11b-hydroxysteroid dehydrogenase: an important therapeutic target for diabetes
分子名称: Corticosteroid 11-beta-dehydrogenase, isozyme 1, N-OCTANE, ...
著者Zhang, J, Osslund, T.D, Plant, M.H, Clogston, C.L, Nybo, R.E, Xiong, F, Delaney, J.M, Jordan, S.R.
登録日2004-12-02
公開日2005-05-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of Murine 11-Hydroxysteroid Dehydrogenase 1: An Important Therapeutic Target for Diabetes
Biochemistry, 44, 2005
5O08
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BU of 5o08 by Molmil
Crystal structure of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus in complex with Dephospho-coenzyme A
分子名称: 1,2-ETHANEDIOL, DEPHOSPHO COENZYME A, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Kim, S.Y, Mendes, V, Blaszczyk, M, Blundell, T.L.
登録日2017-05-16
公開日2017-06-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.552 Å)
主引用文献Structural Biology and the Design of New Therapeutics: From HIV and Cancer to Mycobacterial Infections: A Paper Dedicated to John Kendrew.
J. Mol. Biol., 429, 2017
5O0D
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BU of 5o0d by Molmil
Crystal structure of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus in complex with 3-Phenoxymandelic acid (Fragment 4)
分子名称: (2~{S})-2-oxidanyl-2-(3-phenoxyphenyl)ethanoic acid, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Kim, S.Y, Mendes, V, Blaszczyk, M, Blundell, T.L.
登録日2017-05-16
公開日2017-06-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.539 Å)
主引用文献Structural Biology and the Design of New Therapeutics: From HIV and Cancer to Mycobacterial Infections: A Paper Dedicated to John Kendrew.
J. Mol. Biol., 429, 2017
4G5F
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BU of 4g5f by Molmil
Pantothenate synthetase in complex with racemate (2S)-2,3-DIHYDRO-1,4-BENZODIOXINE-2-CARBOXYLIC ACID and (2R)-2,3-DIHYDRO-1,4-BENZODIOXINE-2-CARBOXYLIC ACID
分子名称: (2R)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid, (2S)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid, 1,2-ETHANEDIOL, ...
著者Silvestre, H.L, Blundell, T.L, Abell, C, Ciulli, A.
登録日2012-07-17
公開日2013-07-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery.
Proc.Natl.Acad.Sci.USA, 110, 2013
2BB2
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BU of 2bb2 by Molmil
X-RAY ANALYSIS OF BETA B2-CRYSTALLIN AND EVOLUTION OF OLIGOMERIC LENS PROTEINS
分子名称: BETA B2-CRYSTALLIN, BETA-MERCAPTOETHANOL
著者Bax, B, Lapatto, R, Nalini, V, Driessen, H, Lindley, P.F, Mahadevan, D, Blundell, T.L, Slingsby, C.
登録日1992-09-21
公開日1993-10-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献X-ray analysis of beta B2-crystallin and evolution of oligomeric lens proteins.
Nature, 347, 1990
1AW8
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PYRUVOYL DEPENDENT ASPARTATE DECARBOXYLASE
分子名称: L-ASPARTATE-ALPHA-DECARBOXYLASE
著者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.
登録日1997-10-12
公開日1998-04-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of aspartate decarboxylase at 2.2 A resolution provides evidence for an ester in protein self-processing.
Nat.Struct.Biol., 5, 1998
5PEP
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BU of 5pep by Molmil
X-RAY ANALYSES OF ASPARTIC PROTEASES. II. THREE-DIMENSIONAL STRUCTURE OF THE HEXAGONAL CRYSTAL FORM OF PORCINE PEPSIN AT 2.3 ANGSTROMS RESOLUTION
分子名称: PEPSIN
著者Cooper, J.B, Khan, G, Taylor, G, Tickle, I.J, Blundell, T.L.
登録日1990-05-30
公開日1990-07-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献X-ray analyses of aspartic proteinases. II. Three-dimensional structure of the hexagonal crystal form of porcine pepsin at 2.3 A resolution.
J.Mol.Biol., 214, 1990
5O0A
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BU of 5o0a by Molmil
Crystal structure of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus in complex with 5-methyl-1-phenyl-pyrazole-4-carboxylic acid (Fragment 1)
分子名称: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Kim, S.Y, Mendes, V, Blaszczyk, M, Blundell, T.L.
登録日2017-05-16
公開日2017-06-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.805 Å)
主引用文献Structural Biology and the Design of New Therapeutics: From HIV and Cancer to Mycobacterial Infections: A Paper Dedicated to John Kendrew.
J. Mol. Biol., 429, 2017
5O0F
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Crystal structure of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus in complex with 3-(indol-3-yl)propanoic acid (Fragment 5)
分子名称: INDOLYLPROPIONIC ACID, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Kim, S.Y, Mendes, V, Blaszczyk, M, Blundell, T.L.
登録日2017-05-16
公開日2017-06-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.704 Å)
主引用文献Structural Biology and the Design of New Therapeutics: From HIV and Cancer to Mycobacterial Infections: A Paper Dedicated to John Kendrew.
J. Mol. Biol., 429, 2017
5O0C
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Crystal structure of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus in complex with 3-(3-methyl-1H-indol-1-yl)propanoic acid (Fragment 3)
分子名称: 3-(3-methylindol-1-yl)propanoic acid, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Kim, S.Y, Mendes, V, Blaszczyk, M, Blundell, T.L.
登録日2017-05-16
公開日2017-06-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.642 Å)
主引用文献Structural Biology and the Design of New Therapeutics: From HIV and Cancer to Mycobacterial Infections: A Paper Dedicated to John Kendrew.
J. Mol. Biol., 429, 2017
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
分子名称: 3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-PROPIONIC ACID, CALCIUM ION, PROTEIN (STROMELYSIN-1), ...
著者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.
登録日1999-04-06
公開日1999-09-01
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献X-ray structure of human stromelysin catalytic domain complexed with nonpeptide inhibitors: implications for inhibitor selectivity.
Protein Sci., 8, 1999
1E0O
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BU of 1e0o by Molmil
CRYSTAL STRUCTURE OF A TERNARY FGF1-FGFR2-HEPARIN COMPLEX
分子名称: 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-(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, FIBROBLAST GROWTH FACTOR 1, FIBROBLAST GROWTH FACTOR RECEPTOR 2, ...
著者Pellegrini, L, Burke, D.F, von Delft, F, Mulloy, B, Blundell, T.L.
登録日2000-04-03
公開日2000-10-23
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of Fibroblast Growth Factor Receptor Ectodomain Bound to Ligand and Heparin
Nature, 407, 2000

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