8I6A
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![BU of 8i6a by Molmil](/molmil-images/mine/8i6a) | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Orotic acid, Form III | Descriptor: | 1,2-ETHANEDIOL, OROTIC ACID, Uracil-DNA glycosylase | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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8I6C
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![BU of 8i6c by Molmil](/molmil-images/mine/8i6c) | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 6-Formyl-uracil, Form III | Descriptor: | 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione, Uracil-DNA glycosylase | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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8I6D
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![BU of 8i6d by Molmil](/molmil-images/mine/8i6d) | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 5-Hydroxy-2,4(1H,3H)-pyrimidinedione, Form VI | Descriptor: | 1,2-ETHANEDIOL, 5-oxidanyl-1~{H}-pyrimidine-2,4-dione, DI(HYDROXYETHYL)ETHER, ... | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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8I64
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![BU of 8i64 by Molmil](/molmil-images/mine/8i64) | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid, Form II | Descriptor: | 1,2-ETHANEDIOL, BARBITURIC ACID, Uracil-DNA glycosylase | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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8I68
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![BU of 8i68 by Molmil](/molmil-images/mine/8i68) | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Uric acid, Form III | Descriptor: | 1,2-ETHANEDIOL, URIC ACID, Uracil-DNA glycosylase | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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5ITW
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![BU of 5itw by Molmil](/molmil-images/mine/5itw) | Crystal structure of Bacillus subtilis BacC Dihydroanticapsin 7-dehydrogenase | Descriptor: | Dihydroanticapsin 7-dehydrogenase, SULFATE ION | Authors: | Perinbam, K, Balaram, H, Row, T.N.G, Gopal, B. | Deposit date: | 2016-03-17 | Release date: | 2017-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Probing the influence of non-covalent contact networks identified by charge density analysis on the oxidoreductase BacC. Protein Eng. Des. Sel., 30, 2017
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5ITV
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![BU of 5itv by Molmil](/molmil-images/mine/5itv) | Crystal structure of Bacillus subtilis BacC Dihydroanticapsin 7-dehydrogenase in complex with NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Dihydroanticapsin 7-dehydrogenase | Authors: | Perinbam, K, Balaram, H, Row, T.N.G, Gopal, B. | Deposit date: | 2016-03-17 | Release date: | 2017-02-22 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Probing the influence of non-covalent contact networks identified by charge density analysis on the oxidoreductase BacC. Protein Eng. Des. Sel., 30, 2017
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5JFE
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![BU of 5jfe by Molmil](/molmil-images/mine/5jfe) | Flavin-dependent thymidylate synthase with H2-dUMP | Descriptor: | 1,2-ETHANEDIOL, 2'-deoxy-5'-uridylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Sapra, A, Stuckey, J, Palfey, B. | Deposit date: | 2016-04-19 | Release date: | 2017-04-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Evaluating H2-dUMP as an Intermediate in the oxidation of Flavin-dependent Thymidylate Synthase To Be Published
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5J5D
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![BU of 5j5d by Molmil](/molmil-images/mine/5j5d) | |
7VZ0
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![BU of 7vz0 by Molmil](/molmil-images/mine/7vz0) | Structure of the M. tuberculosis HtrA S407A mutant | Descriptor: | Probable serine protease HtrA1 | Authors: | Gupta, A.K, Gopal, B. | Deposit date: | 2021-11-15 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations. Acs Chem.Biol., 18, 2023
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7VYZ
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![BU of 7vyz by Molmil](/molmil-images/mine/7vyz) | Structure of the M. tuberculosis HtrA S367A mutant | Descriptor: | Probable serine protease HtrA1 | Authors: | Gupta, A.K, Gopal, B. | Deposit date: | 2021-11-15 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations. Acs Chem.Biol., 18, 2023
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6IEO
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![BU of 6ieo by Molmil](/molmil-images/mine/6ieo) | |
3H7J
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![BU of 3h7j by Molmil](/molmil-images/mine/3h7j) | Crystal structure of BacB, an enzyme involved in Bacilysin synthesis, in monoclinic form | Descriptor: | 3-PHENYLPYRUVIC ACID, Bacilysin biosynthesis protein bacB, COBALT (II) ION, ... | Authors: | Rajavel, M, Gopal, B. | Deposit date: | 2009-04-27 | Release date: | 2009-09-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Role of Bacillus subtilis BacB in the synthesis of bacilysin J.Biol.Chem., 284, 2009
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3H7Y
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![BU of 3h7y by Molmil](/molmil-images/mine/3h7y) | Crystal structure of BacB, an enzyme involved in Bacilysin synthesis, in tetragonal form | Descriptor: | 3-PHENYLPYRUVIC ACID, Bacilysin biosynthesis protein bacB, COBALT (II) ION, ... | Authors: | Rajavel, M, Gopal, B. | Deposit date: | 2009-04-28 | Release date: | 2009-09-22 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Role of Bacillus subtilis BacB in the synthesis of bacilysin J.Biol.Chem., 284, 2009
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7RDN
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![BU of 7rdn by Molmil](/molmil-images/mine/7rdn) | Crystal structure of S. cerevisiae pre-mRNA leakage protein 39 (Pml39) | Descriptor: | Pre-mRNA leakage protein 39, ZINC ION | Authors: | Hashimoto, H, Ramirez, D.H, Pawlak, N, Blobel, G, Palancade, B, Debler, E.W. | Deposit date: | 2021-07-09 | Release date: | 2022-07-27 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structure of the pre-mRNA leakage 39-kDa protein reveals a single domain of integrated zf-C3HC and Rsm1 modules. Sci Rep, 12, 2022
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4EWT
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![BU of 4ewt by Molmil](/molmil-images/mine/4ewt) | The crystal structure of a putative aminohydrolase from methicillin resistant Staphylococcus aureus | Descriptor: | 1-DEOXY-1-THIO-HEPTAETHYLENE GLYCOL, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ... | Authors: | Girish, T.S, Vivek, B, Colaco, M, Misquith, S, Gopal, B. | Deposit date: | 2012-04-27 | Release date: | 2013-02-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of an amidohydrolase, SACOL0085, from methicillin-resistant Staphylococcus aureus COL Acta Crystallogr.,Sect.F, 69, 2013
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8QLP
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![BU of 8qlp by Molmil](/molmil-images/mine/8qlp) | CryoEM structure of the RNA/DNA bound SPARTA (BabAgo/TIR-APAZ) tetrameric complex | Descriptor: | DNA (5'-D(*AP*CP*TP*AP*AP*TP*AP*GP*AP*TP*TP*AP*GP*AP*GP*CP*CP*GP*TP*C)-3'), MAGNESIUM ION, RNA (5'-R(*AP*UP*GP*AP*CP*GP*GP*CP*UP*CP*UP*AP*AP*UP*CP*UP*AP*UP*UP*AP*GP*U)-3'), ... | Authors: | Finocchio, G, Koopal, B, Potocnik, A, Heijstek, C, Jinek, M, Swarts, D. | Deposit date: | 2023-09-20 | Release date: | 2024-01-31 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | Target DNA-dependent activation mechanism of the prokaryotic immune system SPARTA. Nucleic Acids Res., 52, 2024
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8QLO
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![BU of 8qlo by Molmil](/molmil-images/mine/8qlo) | CryoEM structure of the apo SPARTA (BabAgo/TIR-APAZ) complex | Descriptor: | Short prokaryotic Argonaute, Toll/interleukin-1 receptor domain-containing protein | Authors: | Finocchio, G, Koopal, B, Potocnik, A, Heijstek, C, Jinek, M, Swarts, D. | Deposit date: | 2023-09-20 | Release date: | 2024-01-31 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.57 Å) | Cite: | Target DNA-dependent activation mechanism of the prokaryotic immune system SPARTA. Nucleic Acids Res., 52, 2024
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3KX0
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![BU of 3kx0 by Molmil](/molmil-images/mine/3kx0) | Crystal Structure of the PAS domain of Rv1364c | Descriptor: | ISOPROPYL ALCOHOL, Uncharacterized protein Rv1364c/MT1410 | Authors: | Jaiswal, R.K, Gopal, B. | Deposit date: | 2009-12-02 | Release date: | 2010-06-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Role of a PAS sensor domain in the Mycobacterium tuberculosis transcription regulator Rv1364c Biochem.Biophys.Res.Commun., 398, 2010
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3KHZ
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![BU of 3khz by Molmil](/molmil-images/mine/3khz) | |
3KI9
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![BU of 3ki9 by Molmil](/molmil-images/mine/3ki9) | |
3KHX
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![BU of 3khx by Molmil](/molmil-images/mine/3khx) | |
2O7G
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![BU of 2o7g by Molmil](/molmil-images/mine/2o7g) | |
4BXI
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![BU of 4bxi by Molmil](/molmil-images/mine/4bxi) | Crystal structure of ATP binding domain of AgrC from Staphylococcus aureus | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACCESSORY GENE REGULATOR PROTEIN C, ACETATE ION, ... | Authors: | Srivastava, S.K, Rajasree, K, Gopal, B. | Deposit date: | 2013-07-12 | Release date: | 2014-06-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Influence of the Agrc-Agra Complex in the Response Time of Staphylococcus Aureus Quorum Sensing J.Bacteriol., 196, 2014
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2PI7
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![BU of 2pi7 by Molmil](/molmil-images/mine/2pi7) | |