3IVC
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![BU of 3ivc by Molmil](/molmil-images/mine/3ivc) | Crystal structure of pantothenate synthetase in complex with 2-(2-((benzofuran-2-ylmethoxy)carbonyl)-5-methoxy-1H-indol-1-yl)acetic acid | Descriptor: | ETHANOL, GLYCEROL, Pantothenate synthetase, ... | Authors: | Silvestre, H.L, Hung, A.W, Wen, S, 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 (2.13 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
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5FPK
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![BU of 5fpk by Molmil](/molmil-images/mine/5fpk) | MONOMERIC RADA IN COMPLEX WITH FATA TETRAPEPTIDE | Descriptor: | DNA REPAIR AND RECOMBINATION PROTEIN RADA, FHTG PEPTIDE, PHOSPHATE ION | Authors: | Scott, D.E, Marsh, M, Blundell, T.L, Abell, C, Hyvonen, M. | Deposit date: | 2015-12-01 | Release date: | 2016-03-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.343 Å) | Cite: | Structure Activity Relationship of the Peptide Binding Motif Mediating the Rad51:Brca2 Protein-Protein Interaction. FEBS Lett., 590, 2016
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3IMC
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![BU of 3imc by Molmil](/molmil-images/mine/3imc) | Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.6 Ang resolution in complex with fragment compound 5-methoxyindole, sulfate and glycerol | Descriptor: | 5-methoxy-1H-indole, ETHANOL, GLYCEROL, ... | Authors: | Ciulli, A, Hung, A.W, Silvestre, H.L, Wen, S, Blundell, T.L, Abell, C. | Deposit date: | 2009-08-10 | Release date: | 2009-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 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
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1XY2
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![BU of 1xy2 by Molmil](/molmil-images/mine/1xy2) | CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING | Descriptor: | OXYTOCIN | Authors: | Cooper, S, Blundell, T.L, Pitts, J.E, Wood, S.P, Tickle, I.J. | Deposit date: | 1987-06-05 | Release date: | 1988-04-16 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structure analysis of deamino-oxytocin: conformational flexibility and receptor binding. Science, 232, 1986
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5FOT
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![BU of 5fot by Molmil](/molmil-images/mine/5fot) | HUMANISED MONOMERIC RADA IN COMPLEX WITH FHTU TETRAPEPTIDE | Descriptor: | DNA REPAIR AND RECOMBINATION PROTEIN RADA, FHTU PEPTIDE, PHOSPHATE ION | Authors: | Scott, D.E, Marsh, M, Blundell, T.L, Abell, C, Hyvonen, M. | Deposit date: | 2015-11-26 | Release date: | 2016-03-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.189 Å) | Cite: | Structure Activity Relationship of the Peptide Binding Motif Mediating the Rad51:Brca2 Protein-Protein Interaction. FEBS Lett., 590, 2016
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3IVX
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![BU of 3ivx by Molmil](/molmil-images/mine/3ivx) | Crystal structure of pantothenate synthetase in complex with 2-(2-(benzofuran-2-ylsulfonylcarbamoyl)-5-methoxy-1H-indol-1-yl)acetic acid | Descriptor: | 1,2-ETHANEDIOL, ETHANOL, GLYCEROL, ... | Authors: | Silvestre, H.L, Hung, A.W, Wen, S, Ciulli, A, Blundell, T.L, Abell, C. | Deposit date: | 2009-09-02 | 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
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5FOU
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![BU of 5fou by Molmil](/molmil-images/mine/5fou) | HUMANISED MONOMERIC RADA IN COMPLEX WITH FHPA TETRAPEPTIDE | Descriptor: | DNA REPAIR AND RECOMBINATION PROTEIN RADA, FHPA PEPTIDE, PHOSPHATE ION | Authors: | Scott, D.E, Marsh, M, Blundell, T.L, Abell, C, Hyvonen, M. | Deposit date: | 2015-11-26 | Release date: | 2016-03-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure Activity Relationship of the Peptide Binding Motif Mediating the Rad51:Brca2 Protein-Protein Interaction. FEBS Lett., 590, 2016
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3IME
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![BU of 3ime by Molmil](/molmil-images/mine/3ime) | Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 2.40 Ang resolution in complex with fragment compound 1-Benzofuran-2-carboxylic acid | Descriptor: | 1-benzofuran-2-carboxylic acid, ETHANOL, GLYCEROL, ... | Authors: | Ciulli, A, Hung, A.W, Silvestre, H.L, Wen, S, Blundell, T.L, Abell, C. | Deposit date: | 2009-08-10 | Release date: | 2009-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.39 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
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3IVG
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![BU of 3ivg by Molmil](/molmil-images/mine/3ivg) | Crystal structure of pantothenate synthetase in complex with 2-(2-((benzofuran-2-sulfonamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid | Descriptor: | (2-{[(1-benzofuran-2-ylsulfonyl)amino]methyl}-5-methoxy-1H-indol-1-yl)acetic acid, 1,2-ETHANEDIOL, ETHANOL, ... | Authors: | Silvestre, H.L, Hung, A.W, Wen, S, Ciulli, A, Blundell, T.L, Abell, C. | Deposit date: | 2009-09-01 | Release date: | 2009-10-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 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
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5FOX
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![BU of 5fox by Molmil](/molmil-images/mine/5fox) | HUMANISED MONOMERIC RADA IN COMPLEX WITH FHAA TETRAPEPTIDE | Descriptor: | DNA REPAIR AND RECOMBINATION PROTEIN RADA, FHAA PEPTIDE, GLYCEROL, ... | Authors: | Scott, D.E, Marsh, M, Blundell, T.L, Abell, C, Hyvonen, M. | Deposit date: | 2015-11-26 | Release date: | 2016-03-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure Activity Relationship of the Peptide Binding Motif Mediating the Rad51:Brca2 Protein-Protein Interaction. FEBS Lett., 590, 2016
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5FOW
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![BU of 5fow by Molmil](/molmil-images/mine/5fow) | HUMANISED MONOMERIC RADA IN COMPLEX WITH WHTA TETRAPEPTIDE | Descriptor: | DNA repair and recombination protein RadA, PHOSPHATE ION, WHTA PEPTIDE | Authors: | Scott, D.E, Marsh, M, Blundell, T.L, Abell, C, Hyvonen, M. | Deposit date: | 2015-11-26 | Release date: | 2016-03-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.797 Å) | Cite: | Structure Activity Relationship of the Peptide Binding Motif Mediating the Rad51:Brca2 Protein-Protein Interaction. FEBS Lett., 590, 2016
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5FOV
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![BU of 5fov by Molmil](/molmil-images/mine/5fov) | HUMANISED MONOMERIC RADA IN COMPLEX WITH FHTG TETRAPEPTIDE | Descriptor: | DNA repair and recombination protein RadA, FHTG PEPTIDE, GLYCEROL, ... | Authors: | Scott, D.E, Marsh, M, Blundell, T.L, Abell, C, Hyvonen, M. | Deposit date: | 2015-11-26 | Release date: | 2016-03-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.739 Å) | Cite: | Structure Activity Relationship of the Peptide Binding Motif Mediating the Rad51:Brca2 Protein-Protein Interaction. FEBS Lett., 590, 2016
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5K42
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![BU of 5k42 by Molmil](/molmil-images/mine/5k42) | Structure of Mycobacterium thermoresistibile trehalose-6-phosphate synthase in a complex with GDP-glucose. | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Alpha,alpha-trehalose-phosphate synthase, ... | Authors: | Mendes, V, Verma, N, Blaszczyk, M, Blundell, T.L. | Deposit date: | 2016-05-20 | Release date: | 2017-06-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.921 Å) | Cite: | Mycobacterial OtsA Structures Unveil Substrate Preference Mechanism and Allosteric Regulation by 2-Oxoglutarate and 2-Phosphoglycerate. Mbio, 10, 2019
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5K5C
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![BU of 5k5c by Molmil](/molmil-images/mine/5k5c) | Structure of Mycobacterium thermoresistibile trehalose-6-phosphate synthase in a complex with Trehalose. | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Alpha,alpha-trehalose-phosphate synthase, ... | Authors: | Mendes, V, Verma, N, Blaszczyk, M, Blundell, T.L. | Deposit date: | 2016-05-23 | Release date: | 2017-06-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.848 Å) | Cite: | Mycobacterial OtsA Structures Unveil Substrate Preference Mechanism and Allosteric Regulation by 2-Oxoglutarate and 2-Phosphoglycerate. Mbio, 10, 2019
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5IOZ
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![BU of 5ioz by Molmil](/molmil-images/mine/5ioz) | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with N-(cyclopentylmethyl)cyclopentanecarboxamide at 2.02A resolution | Descriptor: | N-(cyclopentylmethyl)cyclopentanecarboxamide, TetR-family transcriptional regulatory repressor protein | Authors: | Blaszczyk, M, Surade, S, Nikiforov, P.O, Abell, C, Blundell, T.L. | Deposit date: | 2016-03-09 | Release date: | 2017-03-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays. ACS Chem. Biol., 12, 2017
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5IP6
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![BU of 5ip6 by Molmil](/molmil-images/mine/5ip6) | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with N-((tetrahydrofuran-3-yl)methyl)pyrrolidine-1-carboxamide at 1.93A resolution | Descriptor: | N-{[(3S)-oxolan-3-yl]methyl}pyrrolidine-1-carboxamide, TetR-family transcriptional regulatory repressor protein | Authors: | Blaszczyk, M, Surade, S, Nikiforov, P.O, Abell, C, Blundell, T.L. | Deposit date: | 2016-03-09 | Release date: | 2017-03-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays. ACS Chem. Biol., 12, 2017
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3HWO
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![BU of 3hwo by Molmil](/molmil-images/mine/3hwo) | |
5JIJ
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![BU of 5jij by Molmil](/molmil-images/mine/5jij) | Structure of Mycobacterium thermoresistibile trehalose-6-phosphate synthase (APO form). | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Alpha,alpha-trehalose-phosphate synthase | Authors: | Mendes, V, Verma, N, Blaszczyk, M, Blundell, T.L. | Deposit date: | 2016-04-22 | Release date: | 2017-05-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Mycobacterial OtsA Structures Unveil Substrate Preference Mechanism and Allosteric Regulation by 2-Oxoglutarate and 2-Phosphoglycerate. Mbio, 10, 2019
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5K44
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![BU of 5k44 by Molmil](/molmil-images/mine/5k44) | Structure of Mycobacterium thermoresistibile trehalose-6-phosphate synthase in a complex with Trehalose-6-phosphate. | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 6-O-phosphono-alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, ... | Authors: | Mendes, V, Verma, N, Blaszczyk, M, Blundell, T.L. | Deposit date: | 2016-05-20 | Release date: | 2017-06-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.925 Å) | Cite: | Mycobacterial OtsA Structures Unveil Substrate Preference Mechanism and Allosteric Regulation by 2-Oxoglutarate and 2-Phosphoglycerate. Mbio, 10, 2019
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5K41
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![BU of 5k41 by Molmil](/molmil-images/mine/5k41) | Structure of Mycobacterium thermoresistibile trehalose-6-phosphate synthase in a complex with ADP-glucose. | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE-GLUCOSE, ... | Authors: | Mendes, V, Verma, N, Blaszczyk, M, Blundell, T.L. | Deposit date: | 2016-05-20 | Release date: | 2017-06-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.971 Å) | Cite: | Mycobacterial OtsA Structures Unveil Substrate Preference Mechanism and Allosteric Regulation by 2-Oxoglutarate and 2-Phosphoglycerate. Mbio, 10, 2019
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1XY1
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![BU of 1xy1 by Molmil](/molmil-images/mine/1xy1) | CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING | Descriptor: | BETA-MERCAPTOPROPIONATE-OXYTOCIN | Authors: | Husain, J, Blundell, T.L, Wood, S.P, Tickle, I.J, Cooper, S, Pitts, J.E. | Deposit date: | 1987-06-05 | Release date: | 1988-04-16 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Crystal structure analysis of deamino-oxytocin: conformational flexibility and receptor binding. Science, 232, 1986
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5JIO
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![BU of 5jio by Molmil](/molmil-images/mine/5jio) | Structure of Mycobacterium thermoresistibile trehalose-6-phosphate synthase ternary complex with ADP and Glucose-6-phosphate. | Descriptor: | 1,2-ETHANEDIOL, 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Mendes, V, Verma, N, Blaszczyk, M, Blundell, T.L. | Deposit date: | 2016-04-22 | Release date: | 2017-05-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.711 Å) | Cite: | Mycobacterial OtsA Structures Unveil Substrate Preference Mechanism and Allosteric Regulation by 2-Oxoglutarate and 2-Phosphoglycerate. Mbio, 10, 2019
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4H7X
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![BU of 4h7x by Molmil](/molmil-images/mine/4h7x) | |
1SMR
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![BU of 1smr by Molmil](/molmil-images/mine/1smr) | |
1QIC
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![BU of 1qic by Molmil](/molmil-images/mine/1qic) | CRYSTAL STRUCTURE OF STROMELYSIN CATALYTIC DOMAIN | Descriptor: | CALCIUM ION, PROTEIN (STROMELYSIN-1), ZINC ION | Authors: | Williams, M.G, Ye, Q.-Z, Molina, F, Johnson, L.L, Ortwine, D.F, Pavlovsky, A.G, Rubin, J.R, Skeean, R.W, White, A.D, Blundell, T.L, Humblet, C, Hupe, D.J, Dhanaraj, V. | Deposit date: | 1999-06-11 | Release date: | 2003-02-11 | 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
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