1PQE
 
 | | S25A mutant of pyruvoyl dependent aspartate decarboxylase | | Descriptor: | Aspartate 1-decarboxylase | | Authors: | Schmitzberger, F, Kilkenny, M.L, Lobley, C.M.C, Webb, M.E, Vinkovic, M, Matak-Vinkovic, D, Witty, M, Chirgadze, D.Y, Smith, A.G, Abell, C, Blundell, T.L. | | Deposit date: | 2003-06-18 | | Release date: | 2003-11-18 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003
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1PT0
 | | Unprocessed Pyruvoyl Dependent Aspartate Decarboxylase with an Alanine insertion at position 26 | | Descriptor: | Aspartate 1-decarboxylase, SULFATE ION | | Authors: | Schmitzberger, F, Kilkenny, M.L, Lobley, C.M.C, Webb, M.E, Vinkovic, M, Matak-Vinkovic, D, Witty, M, Chirgadze, D.Y, Smith, A.G, Abell, C, Blundell, T.L. | | Deposit date: | 2003-06-22 | | Release date: | 2003-11-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003
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6YVQ
 | | Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in apo form | | Descriptor: | 1,2-ETHANEDIOL, Phosphoribosylaminoimidazole-succinocarboxamide synthase, SULFATE ION | | Authors: | Thomas, S.E, Charoensutthivarakul, S, Coyne, A.G, Abell, C, Blundell, T.L. | | Deposit date: | 2020-04-28 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Development of Inhibitors of SAICAR Synthetase (PurC) from Mycobacterium abscessus Using a Fragment-Based Approach.
Acs Infect Dis., 8, 2022
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6YX3
 | | Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Phosphoribosylaminoimidazole-succinocarboxamide synthase, ... | | Authors: | Thomas, S.E, Charoensutthivarakul, S, Coyne, A.G, Abell, C, Blundell, T.L. | | Deposit date: | 2020-04-30 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Development of Inhibitors of SAICAR Synthetase (PurC) from Mycobacterium abscessus Using a Fragment-Based Approach.
Acs Infect Dis., 8, 2022
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6YYA
 | | Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in complex with inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 4-azanyl-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile, Phosphoribosylaminoimidazole-succinocarboxamide synthase, ... | | Authors: | Thomas, S.E, Charoensutthivarakul, S, Coyne, A.G, Abell, C, Blundell, T.L. | | Deposit date: | 2020-05-04 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Development of Inhibitors of SAICAR Synthetase (PurC) from Mycobacterium abscessus Using a Fragment-Based Approach.
Acs Infect Dis., 8, 2022
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6YY6
 | | Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in complex with inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 4-azanyl-6-(1-ethylpyrazol-4-yl)pyrimidine-5-carbonitrile, Phosphoribosylaminoimidazole-succinocarboxamide synthase, ... | | Authors: | Thomas, S.E, Charoensutthivarakul, S, Coyne, A.G, Abell, C, Blundell, T.L. | | Deposit date: | 2020-05-04 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.499 Å) | | Cite: | Development of Inhibitors of SAICAR Synthetase (PurC) from Mycobacterium abscessus Using a Fragment-Based Approach.
Acs Infect Dis., 8, 2022
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6YYD
 | | Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in complex with inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 4-azanyl-6-[1-[[3,4-bis(fluoranyl)phenyl]methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile, Phosphoribosylaminoimidazole-succinocarboxamide synthase, ... | | Authors: | Thomas, S.E, Charoensutthivarakul, S, Coyne, A.G, Abell, C, Blundell, T.L. | | Deposit date: | 2020-05-04 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.387 Å) | | Cite: | Development of Inhibitors of SAICAR Synthetase (PurC) from Mycobacterium abscessus Using a Fragment-Based Approach.
Acs Infect Dis., 8, 2022
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6YYC
 | | Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in complex with inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 5-chloranyl-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine, Phosphoribosylaminoimidazole-succinocarboxamide synthase, ... | | Authors: | Thomas, S.E, Charoensutthivarakul, S, Coyne, A.G, Abell, C, Blundell, T.L. | | Deposit date: | 2020-05-04 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.274 Å) | | Cite: | Development of Inhibitors of SAICAR Synthetase (PurC) from Mycobacterium abscessus Using a Fragment-Based Approach.
Acs Infect Dis., 8, 2022
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6YY7
 | | Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in complex with inhibitor | | Descriptor: | 1,2-ETHANEDIOL, Phosphoribosylaminoimidazole-succinocarboxamide synthase, SULFATE ION, ... | | Authors: | Thomas, S.E, Charoensutthivarakul, S, Coyne, A.G, Abell, C, Blundell, T.L. | | Deposit date: | 2020-05-04 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Development of Inhibitors of SAICAR Synthetase (PurC) from Mycobacterium abscessus Using a Fragment-Based Approach.
Acs Infect Dis., 8, 2022
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6YY9
 | | Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in complex with inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 4-azanyl-6-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyrimidine-5-carbonitrile, Phosphoribosylaminoimidazole-succinocarboxamide synthase, ... | | Authors: | Thomas, S.E, Charoensutthivarakul, S, Coyne, A.G, Abell, C, Blundell, T.L. | | Deposit date: | 2020-05-04 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.413 Å) | | Cite: | Development of Inhibitors of SAICAR Synthetase (PurC) from Mycobacterium abscessus Using a Fragment-Based Approach.
Acs Infect Dis., 8, 2022
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6YYB
 | | Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in complex with inhibitor | | Descriptor: | 4-azanyl-6-[1-[(1~{R})-1-phenylethyl]pyrazol-4-yl]pyrimidine-5-carbonitrile, Phosphoribosylaminoimidazole-succinocarboxamide synthase, SULFATE ION | | Authors: | Thomas, S.E, Charoensutthivarakul, S, Coyne, A.G, Abell, C, Blundell, T.L. | | Deposit date: | 2020-05-04 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Development of Inhibitors of SAICAR Synthetase (PurC) from Mycobacterium abscessus Using a Fragment-Based Approach.
Acs Infect Dis., 8, 2022
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6YY8
 | | Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in complex with inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 4-azanyl-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidine-5-carbonitrile, Phosphoribosylaminoimidazole-succinocarboxamide synthase, ... | | Authors: | Thomas, S.E, Charoensutthivarakul, S, Coyne, A.G, Abell, C, Blundell, T.L. | | Deposit date: | 2020-05-04 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Development of Inhibitors of SAICAR Synthetase (PurC) from Mycobacterium abscessus Using a Fragment-Based Approach.
Acs Infect Dis., 8, 2022
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6Z0Q
 | | Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in complex with fragment 2 | | Descriptor: | Phosphoribosylaminoimidazole-succinocarboxamide synthase, SULFATE ION, ethyl (2~{S},3~{R})-3-(5-bromanylpyridin-2-yl)-2-fluoranyl-3-oxidanyl-propanoate | | Authors: | Thomas, S.E, Charoensutthivarakul, S, Coyne, A.G, Abell, C, Blundell, T.L. | | Deposit date: | 2020-05-10 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.535 Å) | | Cite: | Development of Inhibitors of SAICAR Synthetase (PurC) from Mycobacterium abscessus Using a Fragment-Based Approach.
Acs Infect Dis., 8, 2022
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6Z0R
 | | Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in complex with fragment 1 | | Descriptor: | 1,2-ETHANEDIOL, 4-azanylpyrimidine-5-carbonitrile, Phosphoribosylaminoimidazole-succinocarboxamide synthase, ... | | Authors: | Thomas, S.E, Charoensutthivarakul, S, Coyne, A.G, Abell, C, Blundell, T.L. | | Deposit date: | 2020-05-10 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.308 Å) | | Cite: | Development of Inhibitors of SAICAR Synthetase (PurC) from Mycobacterium abscessus Using a Fragment-Based Approach.
Acs Infect Dis., 8, 2022
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1YJQ
 | | Crystal structure of ketopantoate reductase in complex with NADP+ | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-dehydropantoate 2-reductase, ACETATE ION, ... | | Authors: | Lobley, C.M.C, Ciulli, A, Whitney, H.M, Williams, G, Smith, A.G, Abell, C, Blundell, T.L. | | Deposit date: | 2005-01-15 | | Release date: | 2005-06-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | The crystal structure of Escherichia coli ketopantoate reductase with NADP+ bound.
Biochemistry, 44, 2005
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1YON
 | | Escherichia coli ketopantoate reductase in complex with 2-monophosphoadenosine-5'-diphosphate | | Descriptor: | 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 | | Authors: | Ciulli, A, Lobley, C.M.C, Tuck, K.L, Williams, G, Smith, A.G, Blundell, T.L, Abell, C. | | Deposit date: | 2005-01-28 | | Release date: | 2006-04-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | pH-tuneable binding of 2'-phospho-ADP-ribose to ketopantoate reductase: a structural and calorimetric study.
Acta Crystallogr.,Sect.D, 63, 2007
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1Z56
 | | Co-Crystal Structure of Lif1p-Lig4p | | Descriptor: | DNA ligase IV, Ligase interacting factor 1 | | Authors: | Dore, A.S, Furnham, N, Davies, O.R, Sibanda, B.L, Chirgadze, D.Y, Jackson, S.P, Pellegrini, L, Blundell, T.L. | | Deposit date: | 2005-03-17 | | Release date: | 2006-01-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.92 Å) | | Cite: | Structure of an Xrcc4-DNA ligase IV yeast ortholog complex reveals a novel BRCT interaction mode.
DNA REPAIR, 5, 2006
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1JP4
 | | Crystal Structure of an Enzyme Displaying both Inositol-Polyphosphate 1-Phosphatase and 3'-Phosphoadenosine-5'-Phosphate Phosphatase Activities | | Descriptor: | 3'(2'),5'-bisphosphate nucleotidase, ADENOSINE MONOPHOSPHATE, BETA-MERCAPTOETHANOL, ... | | Authors: | Patel, S, Yenush, L, Rodriguez, P.L, Serrano, R, Blundell, T.L. | | Deposit date: | 2001-08-01 | | Release date: | 2001-08-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Crystal structure of an enzyme displaying both inositol-polyphosphate-1-phosphatase and 3'-phosphoadenosine-5'-phosphate phosphatase activities: a novel target of lithium therapy.
J.Mol.Biol., 315, 2002
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1XOD
 | | Crystal structure of X. tropicalis Spred1 EVH-1 domain | | Descriptor: | GLYCEROL, Spred1 | | Authors: | Harmer, N.J, Sivak, J.M, Amaya, E, Blundell, T.L. | | Deposit date: | 2004-10-06 | | Release date: | 2005-01-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | 1.15A Crystal structure of the X. tropicalis Spred1 EVH1 domain suggests a fourth distinct peptide-binding mechanism within the EVH1 family
Febs Lett., 579, 2005
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1EPO
 | | ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH CP-81,282 (MOR PHE NLE CHF NME) | | Descriptor: | ENDOTHIAPEPSIN, N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-(methylamino)-4-oxobutyl]-L-norleucinamide | | Authors: | Veerapandian, B, 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 Å) | | Cite: | Direct observation by X-ray analysis of the tetrahedral intermediate of aspartic proteinases.
Protein Sci., 1, 1992
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4KIJ
 | | Design and structural analysis of aromatic inhibitors of type II dehydroquinase dehydratase from Mycobacterium tuberculosis - compound 35c [3,4-dihydroxy-5-(3-nitrophenoxy)benzoic acid] | | Descriptor: | 3,4-dihydroxy-5-(3-nitrophenoxy)benzoic acid, 3-dehydroquinate dehydratase, CHLORIDE ION | | Authors: | Dias, M.V.B, Howard, N.G, Blundell, T.L, Abell, C. | | Deposit date: | 2013-05-02 | | Release date: | 2014-05-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Design and Structural Analysis of Aromatic Inhibitors of Type II Dehydroquinase from Mycobacterium tuberculosis.
Chemmedchem, 10, 2015
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4KNE
 | | Crystal structure of dihydrofolate reductase from Mycobacterium tuberculosis in complex with cycloguanil | | Descriptor: | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, Dihydrofolate reductase | | Authors: | Dias, M.V.B, Tyrakis, P, Blundell, T.L. | | Deposit date: | 2013-05-09 | | Release date: | 2013-12-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mycobacterium tuberculosis Dihydrofolate Reductase Reveals Two Conformational States and a Possible Low Affinity Mechanism to Antifolate Drugs.
Structure, 22, 2014
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3W1B
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4CJM
 | | Crystal structure of human FGF18 | | Descriptor: | FIBROBLAST GROWTH FACTOR 18, SULFATE ION | | Authors: | Brown, A, Adam, L.E, Blundell, T.L. | | Deposit date: | 2013-12-21 | | Release date: | 2014-04-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The Crystal Structure of Fibroblast Growth Factor 18 (Fgf18)
Protein Cell, 5, 2014
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4KM0
 | | Crystal structure of dihydrofolate reductase from Mycobacterium tuberculosis in complex with pyrimethamine | | Descriptor: | 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, Dihydrofolate reductase | | Authors: | Dias, M.V.B, Tyrakis, P, Blundell, T.L. | | Deposit date: | 2013-05-07 | | Release date: | 2013-12-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Mycobacterium tuberculosis Dihydrofolate Reductase Reveals Two Conformational States and a Possible Low Affinity Mechanism to Antifolate Drugs.
Structure, 22, 2014
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