8I63
 
 | | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid, Form III | | 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 (1.95 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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8I66
 | | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with isoorotic acid (2,4-Dihydroxypyrimidine-5-carboxylic Acid) and citric acid, Form I | | Descriptor: | 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid, CITRIC 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 (2.6 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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8I62
 | | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid, Form I | | Descriptor: | 1,2-ETHANEDIOL, BARBITURIC ACID, CHLORIDE ION, ... | | 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 (1.26 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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8I65
 | | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with isoorotic acid (2,4-Dihydroxypyrimidine-5-carboxylic Acid), Form I | | Descriptor: | 1,2-ETHANEDIOL, 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic 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 (1.72 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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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
 | | 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
 | | 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
 | | 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
 | | 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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6IEO
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6K6W
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6OAP
 | | Crystal structure of a dual sensor histidine kinase in the green-light absorbing Pg state | | Descriptor: | Dual sensor histidine kinase, MAGNESIUM ION, PHYCOCYANOBILIN | | Authors: | Heewhan, S, Zhong, R, Xiaoli, Z, Sepalika, B, Xiaojing, Y. | | Deposit date: | 2019-03-18 | | Release date: | 2019-09-18 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural basis of molecular logic OR in a dual-sensor histidine kinase.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5YJJ
 | | Crystal structure of PNPase from Staphylococcus epidermidis | | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, Polyribonucleotide nucleotidyltransferase | | Authors: | Raj, R, Gopal, B. | | Deposit date: | 2017-10-10 | | Release date: | 2018-01-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Characterization of Staphylococcus epidermidis Polynucleotide phosphorylase and its interactions with ribonucleases RNase J1 and RNase J2.
Biochem. Biophys. Res. Commun., 495, 2018
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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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6K6S
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6OAQ
 | | Crystal structure of a dual sensor histidine kinase in BeF3- bound state | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, Dual sensor histidine kinase, MAGNESIUM ION, ... | | Authors: | Heewhan, S, Zhong, R, Xiaoli, Z, Sepalika, B, Xiaojing, Y. | | Deposit date: | 2019-03-18 | | Release date: | 2019-09-18 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Structural basis of molecular logic OR in a dual-sensor histidine kinase.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6OB8
 | | Crystal structure of a dual sensor histidine kinase in green light illuminated state | | Descriptor: | Dual sensor histidine kinase, MAGNESIUM ION, PHYCOCYANOBILIN | | Authors: | Heewhan, S, Zhong, R, Xiaoli, Z, Sepalika, B, Xiaojing, Y. | | Deposit date: | 2019-03-19 | | Release date: | 2019-09-18 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis of molecular logic OR in a dual-sensor histidine kinase.
Proc.Natl.Acad.Sci.USA, 116, 2019
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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
 | | 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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1DOD
 | | THE MOBIL FLAVIN OF 4-OH BENZOATE HYDROXYLASE: MOTION OF A PROSTHETIC GROUP REGULATES CATALYSIS | | Descriptor: | 2,4-DIHYDROXYBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE | | Authors: | Gatti, D.L, Palfey, B.A, Lah, M.S, Entsch, B, Massey, V, Ballou, D.P, Ludwig, M.L. | | Deposit date: | 1994-09-06 | | Release date: | 1994-11-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The mobile flavin of 4-OH benzoate hydroxylase.
Science, 266, 1994
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1DOC
 | | THE MOBIL FLAVIN OF 4-OH BENZOATE HYDROXYLASE: MOTION OF A PROSTHETIC GROUP REGULATES CATALYSIS | | Descriptor: | BROMIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, ... | | Authors: | Gatti, D.L, Palfey, B.A, Lah, M.S, Entsch, B, Massey, V, Ballou, D.P, Ludwig, M.L. | | Deposit date: | 1994-09-06 | | Release date: | 1994-11-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The mobile flavin of 4-OH benzoate hydroxylase.
Science, 266, 1994
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1DOE
 | | THE MOBIL FLAVIN OF 4-OH BENZOATE HYDROXYLASE: MOTION OF A PROSTHETIC GROUP REGULATES CATALYSIS | | Descriptor: | 2,4-DIHYDROXYBENZOIC ACID, BROMIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Gatti, D.L, Palfey, B.A, Lah, M.S, Entsch, B, Massey, V, Ballou, D.P, Ludwig, M.L. | | Deposit date: | 1994-09-06 | | Release date: | 1994-11-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The mobile flavin of 4-OH benzoate hydroxylase.
Science, 266, 1994
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1DOB
 | | THE MOBIL FLAVIN OF 4-OH BENZOATE HYDROXYLASE: MOTION OF A PROSTHETIC GROUP REGULATES CATALYSIS | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID | | Authors: | Gatti, D.L, Palfey, B.A, Lah, M.S, Entsch, B, Massey, V, Ballou, D.P, Ludwig, M.L. | | Deposit date: | 1994-09-06 | | Release date: | 1994-11-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The mobile flavin of 4-OH benzoate hydroxylase.
Science, 266, 1994
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6NEU
 | | FAD-dependent monooxygenase TropB from T. stipitatus R206Q variant | | Descriptor: | CHLORIDE ION, FAD-dependent monooxygenase tropB, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Rodriguez Benitez, A, Tweedy, S.E, Baker Dockrey, S.A, Lukowski, A.L, Wymore, T, Khare, D, Brooks, C.L, Palfey, B.A, Smith, J.L, Narayan, A.R.H. | | Deposit date: | 2018-12-18 | | Release date: | 2019-08-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization.
Acs Catalysis, 9, 2019
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6NEV
 | | FAD-dependent monooxygenase TropB from T. stipitatus Y239F Variant | | Descriptor: | CHLORIDE ION, FAD-dependent monooxygenase tropB, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Rodriguez Benitez, A, Tweedy, S.E, Baker Dockrey, S.A, Lukowski, A.L, Wymore, T, Khare, D, Palfey, B.A, Smith, J.L, Narayan, A.R.H. | | Deposit date: | 2018-12-18 | | Release date: | 2019-08-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.303 Å) | | Cite: | Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization.
Acs Catalysis, 9, 2019
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