6ZHE
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![BU of 6zhe by Molmil](/molmil-images/mine/6zhe) | Cryo-EM structure of DNA-PK dimer | Descriptor: | DNA (25-MER), DNA (26-MER), DNA (27-MER), ... | Authors: | Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L. | Deposit date: | 2020-06-23 | Release date: | 2020-10-21 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (7.24 Å) | Cite: | Dimers of DNA-PK create a stage for DNA double-strand break repair. Nat.Struct.Mol.Biol., 28, 2021
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4Y2G
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4Y18
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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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6D4R
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![BU of 6d4r by Molmil](/molmil-images/mine/6d4r) | M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 18 (VCC399134) | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, hydroxy(3-{4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carbonyl}phenyl)oxoammonium | Authors: | Ascher, D.B, Pacitto, A, Blundell, T.L. | Deposit date: | 2018-04-18 | Release date: | 2019-05-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH. Eur.J.Med.Chem., 174, 2019
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6D4U
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![BU of 6d4u by Molmil](/molmil-images/mine/6d4u) | M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 27 (VCC663664) | Descriptor: | 2-(2,4-dimethoxyphenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | Authors: | Ascher, D.B, Pacitto, A, Blundell, T.L. | Deposit date: | 2018-04-18 | Release date: | 2019-05-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH. Eur.J.Med.Chem., 174, 2019
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6D4W
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![BU of 6d4w by Molmil](/molmil-images/mine/6d4w) | M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 35 (VCC620637) | Descriptor: | 2-(4-fluorophenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | Authors: | Ascher, D.B, Pacitto, A, Blundell, T.L. | Deposit date: | 2018-04-18 | Release date: | 2019-05-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH. Eur.J.Med.Chem., 174, 2019
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6D4T
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![BU of 6d4t by Molmil](/molmil-images/mine/6d4t) | M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 45 (VCC117054) | Descriptor: | (2S)-N-(2H-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfonyl]-2-methylpiperazine-1-carboxamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | Authors: | Ascher, D.B, Pacitto, A, Blundell, T.L. | Deposit date: | 2018-04-18 | Release date: | 2019-05-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH. Eur.J.Med.Chem., 174, 2019
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6D4S
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![BU of 6d4s by Molmil](/molmil-images/mine/6d4s) | M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 37 (VCC670597) | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, N-(2,3-dichlorophenyl)-4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carboxamide | Authors: | Ascher, D.B, Pacitto, A, Blundell, T.L. | Deposit date: | 2018-04-18 | Release date: | 2019-05-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH. Eur.J.Med.Chem., 174, 2019
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6D4Q
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![BU of 6d4q by Molmil](/molmil-images/mine/6d4q) | M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 14 (VCC900455) | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, cycloheptyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone | Authors: | Ascher, D.B, Pacitto, A, Blundell, T.L. | Deposit date: | 2018-04-18 | Release date: | 2019-05-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH. Eur.J.Med.Chem., 174, 2019
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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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6HXT
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6D4V
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![BU of 6d4v by Molmil](/molmil-images/mine/6d4v) | M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 22 (VCC061422) | Descriptor: | 2-cyclohexyl-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | Authors: | Ascher, D.B, Pacitto, A, Blundell, T.L. | Deposit date: | 2018-04-18 | Release date: | 2019-05-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH. Eur.J.Med.Chem., 174, 2019
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3ER3
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![BU of 3er3 by Molmil](/molmil-images/mine/3er3) | The active site of aspartic proteinases | Descriptor: | 6-ammonio-N-[(2R,4R,5R)-5-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)hexanoyl]-L-norleucylphenylalanine, ENDOTHIAPEPSIN | Authors: | Al-Karadaghi, S, Cooper, J.B, Veerapandian, B, Hoover, D, Blundell, T.L. | Deposit date: | 1991-01-02 | Release date: | 1991-04-15 | 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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2WVI
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![BU of 2wvi by Molmil](/molmil-images/mine/2wvi) | Crystal Structure of the N-terminal Domain of BubR1 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, MITOTIC CHECKPOINT SERINE/THREONINE-PROTEIN KINASE BUB1 BETA, ... | Authors: | D'Arcy, S, Davies, O.R, Blundell, T.L, Bolanos-Garcia, V.M. | Deposit date: | 2009-10-16 | Release date: | 2010-03-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Defining the Molecular Basis of Bubr1 Kinetochore Interactions and Anaphase-Promoting Complex/Cyclosome (Apc/C)-Cdc20 Inhibition J.Biol.Chem., 285, 2010
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4GCR
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![BU of 4gcr by Molmil](/molmil-images/mine/4gcr) | STRUCTURE OF THE BOVINE EYE LENS PROTEIN GAMMA-B (GAMMA-II)-CRYSTALLIN AT 1.47 ANGSTROMS | Descriptor: | GAMMA-B CRYSTALLIN | Authors: | Slingsby, C, Najmudin, S, Nalini, V, Driessen, H.P.C, Blundell, T.L, Moss, D.S, Lindley, P. | Deposit date: | 1992-04-02 | Release date: | 1993-10-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Structure of the bovine eye lens protein gammaB(gammaII)-crystallin at 1.47 A. Acta Crystallogr.,Sect.D, 49, 1993
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2ER9
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![BU of 2er9 by Molmil](/molmil-images/mine/2er9) | X-RAY STUDIES OF ASPARTIC PROTEINASE-STATINE INHIBITOR COMPLEXES. | Descriptor: | ENDOTHIAPEPSIN, L363,564 | Authors: | Cooper, J.B, Foundling, S.I, Boger, J, Blundell, T.L. | Deposit date: | 1990-10-20 | Release date: | 1991-01-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-ray studies of aspartic proteinase-statine inhibitor complexes. Biochemistry, 28, 1989
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2ER7
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![BU of 2er7 by Molmil](/molmil-images/mine/2er7) | X-RAY ANALYSES OF ASPARTIC PROTEINASES.III. THREE-DIMENSIONAL STRUCTURE OF ENDOTHIAPEPSIN COMPLEXED WITH A TRANSITION-STATE ISOSTERE INHIBITOR OF RENIN AT 1.6 ANGSTROMS RESOLUTION | Descriptor: | ENDOTHIAPEPSIN, SULFATE ION, TRANSITION-STATE ISOSTERE INHIBITOR OF RENIN | Authors: | Veerapandian, B, Cooper, J.B, Szelke, M, Blundell, T.L. | Deposit date: | 1990-11-12 | Release date: | 1991-01-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | X-ray analyses of aspartic proteinases. III Three-dimensional structure of endothiapepsin complexed with a transition-state isostere inhibitor of renin at 1.6 A resolution. J.Mol.Biol., 216, 1990
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2ER6
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![BU of 2er6 by Molmil](/molmil-images/mine/2er6) | The structure of a synthetic pepsin inhibitor complexed with endothiapepsin. | Descriptor: | ENDOTHIAPEPSIN, H-256 peptide | Authors: | Cooper, J.B, Foundling, S.I, Szelke, M, Blundell, T.L. | Deposit date: | 1990-10-13 | Release date: | 1991-01-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structure of a synthetic pepsin inhibitor complexed with endothiapepsin Eur.J.Biochem., 169, 1987
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2ER0
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![BU of 2er0 by Molmil](/molmil-images/mine/2er0) | X-RAY STUDIES OF ASPARTIC PROTEINASE-STATINE INHIBITOR COMPLEXES | Descriptor: | ENDOTHIAPEPSIN, L364,099 | Authors: | Cooper, J.B, Foundling, S.I, Boger, J, Blundell, T.L. | Deposit date: | 1990-10-20 | Release date: | 1991-01-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | X-ray studies of aspartic proteinase-statine inhibitor complexes. Biochemistry, 28, 1989
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5ER2
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![BU of 5er2 by Molmil](/molmil-images/mine/5er2) | High-resolution X-ray diffraction study of the complex between endothiapepsin and an oligopeptide inhibitor. the analysis of the inhibitor binding and description of the rigid body shift in the enzyme | Descriptor: | 6-ammonio-N-{[(2R,3R)-3-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-4-cyclohexyl-2-hydroxybutyl](2-methylpropyl)carbamoyl}-L-norleucyl-L-phenylalanine, ENDOTHIAPEPSIN | Authors: | Sali, A, Veerapandian, B, Cooper, J.B, Foundling, S.I, Hoover, D.J, Blundell, T.L. | Deposit date: | 1991-01-02 | Release date: | 1991-04-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High-resolution X-ray diffraction study of the complex between endothiapepsin and an oligopeptide inhibitor: the analysis of the inhibitor binding and description of the rigid body shift in the enzyme. EMBO J., 8, 1989
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5ER1
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8OWQ
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8OWP
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