3ER5
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![BU of 3er5 by Molmil](/molmil-images/mine/3er5) | 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
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4ER1
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![BU of 4er1 by Molmil](/molmil-images/mine/4er1) | 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
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4APE
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![BU of 4ape by Molmil](/molmil-images/mine/4ape) | THE ACTIVE SITE OF ASPARTIC PROTEINASES | Descriptor: | ENDOTHIAPEPSIN | Authors: | Pearl, L.H, Sewell, B.T, Jenkins, J.A, Cooper, J.B, Blundell, T.L. | Deposit date: | 1986-06-09 | Release date: | 1986-07-14 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Active Site of Aspartic Proteinases FEBS Lett., 174, 1984
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4KIU
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![BU of 4kiu by Molmil](/molmil-images/mine/4kiu) | Design and structural analysis of aromatic inhibitors of type II dehydroquinate dehydratase from Mycobacterium tuberculosis - compound 49d [5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid] | Descriptor: | 3-dehydroquinate dehydratase, 5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid | 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 (2.4 Å) | Cite: | Design and Structural Analysis of Aromatic Inhibitors of Type II Dehydroquinase from Mycobacterium tuberculosis. Chemmedchem, 10, 2015
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4ER2
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![BU of 4er2 by Molmil](/molmil-images/mine/4er2) | 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
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8OW5
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![BU of 8ow5 by Molmil](/molmil-images/mine/8ow5) | |
8OWB
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![BU of 8owb by Molmil](/molmil-images/mine/8owb) | |
5MWO
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![BU of 5mwo by Molmil](/molmil-images/mine/5mwo) | Structure of Mycobacterium Tuberculosis Transcriptional Regulatory Repressor Protein (EthR) in complex with fragment 7E8. | Descriptor: | (5-methyl-1-benzothiophen-2-yl)methanol, 1,2-ETHANEDIOL, HTH-type transcriptional regulator EthR | Authors: | Mendes, V, Chan, D.S.-H, Thomas, S.E, McConnell, B, Matak-Vinkovic, D, Coyne, A.G, Abell, C, Blundell, T.L. | Deposit date: | 2017-01-18 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.962 Å) | Cite: | Fragment Screening against the EthR-DNA Interaction by Native Mass Spectrometry. Angew. Chem. Int. Ed. Engl., 56, 2017
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5MXV
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![BU of 5mxv by Molmil](/molmil-images/mine/5mxv) | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK1107112A at 1.63A resolution | Descriptor: | 3-chloranyl-~{N}-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoranyl-1-benzothiophene-2-carboxamide, HTH-type transcriptional regulator EthR | Authors: | Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L. | Deposit date: | 2017-01-24 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.626 Å) | Cite: | Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach. Front Pharmacol, 8, 2017
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5MXK
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![BU of 5mxk by Molmil](/molmil-images/mine/5mxk) | Structure of Mycobacterium Tuberculosis Transcriptional Regulatory Repressor Protein (EthR) in complex with fragment 7G9. | Descriptor: | 1,2-ETHANEDIOL, HTH-type transcriptional regulator EthR, ~{N}-(5-oxidanylidene-7,8-dihydro-6~{H}-naphthalen-2-yl)ethanamide | Authors: | Mendes, V, Chan, D.S.-H, Thomas, S.E, McConnell, B, Matak-Vinkovic, D, Coyne, A.G, Abell, C, Blundell, T.L. | Deposit date: | 2017-01-23 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.932 Å) | Cite: | Fragment Screening against the EthR-DNA Interaction by Native Mass Spectrometry. Angew. Chem. Int. Ed. Engl., 56, 2017
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5MYL
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![BU of 5myl by Molmil](/molmil-images/mine/5myl) | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK1570606A at 1.72A resolution | Descriptor: | 2-(4-fluorophenyl)-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide, HTH-type transcriptional regulator EthR | Authors: | Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L. | Deposit date: | 2017-01-27 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.724 Å) | Cite: | Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach. Front Pharmacol, 8, 2017
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5MYR
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![BU of 5myr by Molmil](/molmil-images/mine/5myr) | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK735816A at 1.83A resolution | Descriptor: | 6-fluoranyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine, HTH-type transcriptional regulator EthR | Authors: | Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L. | Deposit date: | 2017-01-27 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.828 Å) | Cite: | Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach. Front Pharmacol, 8, 2017
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5MYW
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![BU of 5myw by Molmil](/molmil-images/mine/5myw) | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound SB-435634 at 1.77A resolution | Descriptor: | HTH-type transcriptional regulator EthR, ~{N}2-(1,3-benzodioxol-5-yl)benzene-1,2-diamine | Authors: | Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L. | Deposit date: | 2017-01-30 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach. Front Pharmacol, 8, 2017
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5MYM
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![BU of 5mym by Molmil](/molmil-images/mine/5mym) | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK2032710A at 2.28A resolution | Descriptor: | 1,2-ETHANEDIOL, HTH-type transcriptional regulator EthR, [4-(phenylmethyl)piperidin-1-yl]-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone | Authors: | Mendes, V, Blaszczyk, M, Mugumbate, G, Blundell, T.L. | Deposit date: | 2017-01-27 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach. Front Pharmacol, 8, 2017
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4KIW
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![BU of 4kiw by Molmil](/molmil-images/mine/4kiw) | Design and structural analysis of aromatic inhibitors of type II dehydroquinate dehydratase from Mycobacterium tuberculosis - compound 49e [5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid] | Descriptor: | 3-dehydroquinate dehydratase, 5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid | 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 (2.57 Å) | Cite: | Design and Structural Analysis of Aromatic Inhibitors of Type II Dehydroquinase from Mycobacterium tuberculosis. Chemmedchem, 10, 2015
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4ER4
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![BU of 4er4 by Molmil](/molmil-images/mine/4er4) | 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
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1ER8
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![BU of 1er8 by Molmil](/molmil-images/mine/1er8) | THE ACTIVE SITE OF ASPARTIC PROTEINASES | Descriptor: | Endothiapepsin, H-77 | Authors: | Hemmings, A.M, Veerapandian, B, Szelke, M, Cooper, J.B, Blundell, T.L. | Deposit date: | 1989-10-16 | Release date: | 1991-10-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Active Site of Aspartic Proteinases FEBS Lett., 174, 1984
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3W1B
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![BU of 3w1b by Molmil](/molmil-images/mine/3w1b) | |
1KS9
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![BU of 1ks9 by Molmil](/molmil-images/mine/1ks9) | Ketopantoate Reductase from Escherichia coli | Descriptor: | 2-DEHYDROPANTOATE 2-REDUCTASE | Authors: | Matak-Vinkovic, D, Vinkovic, M, Saldanha, S.A, Ashurst, J.A, von Delft, F, Inoue, T, Miguel, R.N, Smith, A.G, Blundell, T.L, Abell, C. | Deposit date: | 2002-01-11 | Release date: | 2002-01-25 | Last modified: | 2014-11-12 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of Escherichia coli ketopantoate reductase at 1.7 A resolution and insight into the enzyme mechanism. Biochemistry, 40, 2001
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6G6V
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![BU of 6g6v by Molmil](/molmil-images/mine/6g6v) | |
1N0W
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![BU of 1n0w by Molmil](/molmil-images/mine/1n0w) | Crystal structure of a RAD51-BRCA2 BRC repeat complex | Descriptor: | 1,2-ETHANEDIOL, ARTIFICIAL GLY-SER-MSE-GLY PEPTIDE, Breast cancer type 2 susceptibility protein, ... | Authors: | Pellegrini, L, Yu, D.S, Lo, T, Anand, S, Lee, M, Blundell, T.L, Venkitaraman, A.R. | Deposit date: | 2002-10-15 | Release date: | 2002-11-27 | Last modified: | 2020-01-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Insights into DNA recombination from the structure of a RAD51-BRCA2 complex Nature, 420, 2002
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3N59
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![BU of 3n59 by Molmil](/molmil-images/mine/3n59) | Type II dehydroquinase from Mycobacterium Tuberculosis complexed with 3-dehydroshikimate | Descriptor: | (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid, 3-dehydroquinate dehydratase, CHLORIDE ION | Authors: | Snee, W.C, Palaninathan, S.K, Sacchettini, J.C, Dias, M.V.B, Bromfield, K.M, Payne, R, Ciulli, A, Howard, N.I, Abell, C, Blundell, T.L, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2010-05-24 | Release date: | 2010-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochem.J., 436, 2011
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3N86
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![BU of 3n86 by Molmil](/molmil-images/mine/3n86) | Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with inhibitor 4 | Descriptor: | (1R,5R)-1,5-dihydroxy-4-oxo-3-[3-oxo-3-(phenylamino)propyl]cyclohex-2-ene-1-carboxylic acid, 3-dehydroquinate dehydratase | Authors: | Dias, M.V.B, Snee, W.C, Bromfield, K.M, Payne, R, Palaninathan, S.K, Ciulli, A, Howard, N.I, Abell, C, Sacchettini, J.C, Blundell, T.L. | Deposit date: | 2010-05-27 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochem.J., 436, 2011
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3W5O
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![BU of 3w5o by Molmil](/molmil-images/mine/3w5o) | Crystal Structure of Human DNA ligase IV | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA ligase 4, SULFATE ION | Authors: | Gu, X, Ochi, T, Blundell, T.L. | Deposit date: | 2013-02-02 | Release date: | 2013-04-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Structure of the catalytic region of DNA ligase IV in complex with an artemis fragment sheds light on double-strand break repair Structure, 21, 2013
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4B32
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![BU of 4b32 by Molmil](/molmil-images/mine/4b32) | 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
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