4AN7
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4AN6
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7F44
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![BU of 7f44 by Molmil](/molmil-images/mine/7f44) | Crystal structure of Moraxella catarrhalis enoyl-ACP-reductase (FabI) in complex with the cofactor NAD | Descriptor: | CALCIUM ION, Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL, ... | Authors: | Katiki, M, Neetu, N, Pratap, S, Kumar, P. | Deposit date: | 2021-06-17 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Biochemical and structural basis for Moraxella catarrhalis enoyl-acyl carrier protein reductase (FabI) inhibition by triclosan and estradiol. Biochimie, 198, 2022
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7FC8
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7FCM
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![BU of 7fcm by Molmil](/molmil-images/mine/7fcm) | Crystal structure of Moraxella catarrhalis enoyl-ACP-reductase (FabI) in complex with NAD and Triclosan | Descriptor: | CALCIUM ION, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Katiki, M, Neetu, N, Pratap, S, Kumar, P. | Deposit date: | 2021-07-15 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Biochemical and structural basis for Moraxella catarrhalis enoyl-acyl carrier protein reductase (FabI) inhibition by triclosan and estradiol. Biochimie, 198, 2022
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6MB4
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![BU of 6mb4 by Molmil](/molmil-images/mine/6mb4) | Binary (sisomicin) structure of AAC-IIIb | Descriptor: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, Aac(3)-IIIb protein | Authors: | Cuneo, M.J, Kumar, P. | Deposit date: | 2018-08-29 | Release date: | 2018-11-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | Encoding of Promiscuity in an Aminoglycoside Acetyltransferase. J. Med. Chem., 61, 2018
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6MB6
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![BU of 6mb6 by Molmil](/molmil-images/mine/6mb6) | AAC-IIIb binary with CoASH | Descriptor: | Aac(3)-IIIb protein, COENZYME A, MALONATE ION | Authors: | Cuneo, M.J, Kumar, P. | Deposit date: | 2018-08-29 | Release date: | 2018-11-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Encoding of Promiscuity in an Aminoglycoside Acetyltransferase. J. Med. Chem., 61, 2018
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6LLA
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![BU of 6lla by Molmil](/molmil-images/mine/6lla) | Crystal structure of Providencia alcalifaciens 3-dehydroquinate synthase (DHQS) in complex with Mg2+ and NAD | Descriptor: | 1,2-ETHANEDIOL, 3-dehydroquinate synthase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Neetu, N, Katiki, M, Kumar, P. | Deposit date: | 2019-12-22 | Release date: | 2020-07-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structural and Biochemical Analyses Reveal that Chlorogenic Acid Inhibits the Shikimate Pathway. J.Bacteriol., 202, 2020
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6MB5
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![BU of 6mb5 by Molmil](/molmil-images/mine/6mb5) | AAC-IIIb binary with NEOMYCIN | Descriptor: | Aac(3)-IIIb protein, NEOMYCIN | Authors: | Cuneo, M.J, Kumar, P. | Deposit date: | 2018-08-29 | Release date: | 2018-11-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Encoding of Promiscuity in an Aminoglycoside Acetyltransferase. J. Med. Chem., 61, 2018
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6MB7
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![BU of 6mb7 by Molmil](/molmil-images/mine/6mb7) | Binary (paromomycin) structure of AAC-IIIb | Descriptor: | Aac(3)-IIIb protein, PAROMOMYCIN | Authors: | Cuneo, M.J, Kumar, P. | Deposit date: | 2018-08-29 | Release date: | 2018-11-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Encoding of Promiscuity in an Aminoglycoside Acetyltransferase. J. Med. Chem., 61, 2018
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6MB9
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![BU of 6mb9 by Molmil](/molmil-images/mine/6mb9) | Ternary (neomycin/CoA) structure of AAC-IIIb | Descriptor: | Aac(3)-IIIb protein, COENZYME A, NEOMYCIN, ... | Authors: | Cuneo, M.J, Kumar, P. | Deposit date: | 2018-08-29 | Release date: | 2018-11-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Encoding of Promiscuity in an Aminoglycoside Acetyltransferase. J. Med. Chem., 61, 2018
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6MB8
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![BU of 6mb8 by Molmil](/molmil-images/mine/6mb8) | Apo structure of AAC-IIIb | Descriptor: | Aac(3)-IIIb protein, CHLORIDE ION | Authors: | Cuneo, M.J, Kumar, P. | Deposit date: | 2018-08-29 | Release date: | 2018-11-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Encoding of Promiscuity in an Aminoglycoside Acetyltransferase. J. Med. Chem., 61, 2018
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5D79
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![BU of 5d79 by Molmil](/molmil-images/mine/5d79) | Structure of BBE-like #28 from Arabidopsis thaliana | Descriptor: | Berberine bridge enzyme-like protein, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Daniel, B, Kumar, P, Gruber, K. | Deposit date: | 2015-08-13 | Release date: | 2016-06-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.849 Å) | Cite: | Structure of a Berberine Bridge Enzyme-Like Enzyme with an Active Site Specific to the Plant Family Brassicaceae. Plos One, 11, 2016
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6NTI
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![BU of 6nti by Molmil](/molmil-images/mine/6nti) | Neutron/X-ray crystal structure of AAC-VIa bound to kanamycin b | Descriptor: | (1R,2S,3S,4R,6S)-4,6-DIAMINO-3-[(3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-2-HYDROXYCYCLOHEXYL 2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSIDE, Aminoglycoside N(3)-acetyltransferase, MAGNESIUM ION | Authors: | Cuneo, M.J, Kumar, P. | Deposit date: | 2019-01-29 | Release date: | 2019-09-25 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (2.3 Å), X-RAY DIFFRACTION | Cite: | Low-Barrier and Canonical Hydrogen Bonds Modulate Activity and Specificity of a Catalytic Triad. Angew.Chem.Int.Ed.Engl., 58, 2019
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6NTJ
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![BU of 6ntj by Molmil](/molmil-images/mine/6ntj) | Neutron/X-ray crystal structure of AAC-VIa bound to gentamicin C1A | Descriptor: | (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, Aminoglycoside N(3)-acetyltransferase, MAGNESIUM ION | Authors: | Cuneo, M.J, Kumar, P. | Deposit date: | 2019-01-29 | Release date: | 2019-09-25 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION | Cite: | Low-Barrier and Canonical Hydrogen Bonds Modulate Activity and Specificity of a Catalytic Triad. Angew.Chem.Int.Ed.Engl., 58, 2019
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8HVQ
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![BU of 8hvq by Molmil](/molmil-images/mine/8hvq) | Crystal structure of haloacid dehalogenase-like hydrolase family enzyme from Staphylococcus lugdunensis | Descriptor: | 1,2-ETHANEDIOL, Cof-type HAD-IIB family hydrolase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kaur, H, Mahto, J.K, Kumar, P, Sharma, A.K. | Deposit date: | 2022-12-27 | Release date: | 2023-12-27 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Characterization of haloacid dehalogenase superfamily acid phosphatase from Staphylococcus lugdunensis. Arch.Biochem.Biophys., 753, 2024
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1DTZ
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![BU of 1dtz by Molmil](/molmil-images/mine/1dtz) | STRUCTURE OF CAMEL APO-LACTOFERRIN DEMONSTRATES ITS DUAL ROLE IN SEQUESTERING AND TRANSPORTING FERRIC IONS SIMULTANEOUSLY:CRYSTAL STRUCTURE OF CAMEL APO-LACTOFERRIN AT 2.6A RESOLUTION. | Descriptor: | APO LACTOFERRIN | Authors: | Khan, J.A, Kumar, P, Paramasivam, M, Srinivasan, A, Yadav, R.S, Sahani, M.S, Singh, T.P. | Deposit date: | 2000-01-13 | Release date: | 2001-06-20 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Camel lactoferrin, a transferrin-cum-lactoferrin: crystal structure of camel apolactoferrin at 2.6 A resolution and structural basis of its dual role. J.Mol.Biol., 309, 2001
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1I6Q
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![BU of 1i6q by Molmil](/molmil-images/mine/1i6q) | Formation of a protein intermediate and its trapping by the simultaneous crystallization process: Crystal structure of an iron-saturated intermediate in the FE3+ binding pathway of camel lactoferrin at 2.7 resolution | Descriptor: | CARBONATE ION, FE (III) ION, LACTOFERRIN | Authors: | Khan, J.A, Kumar, P, Srinivasan, A, Singh, T.P. | Deposit date: | 2001-03-03 | Release date: | 2001-11-07 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Protein intermediate trapped by the simultaneous crystallization process. Crystal structure of an iron-saturated intermediate in the Fe3+ binding pathway of camel lactoferrin at 2.7 a resolution. J.Biol.Chem., 276, 2001
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7DLK
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![BU of 7dlk by Molmil](/molmil-images/mine/7dlk) | Crystal Structure of veratryl alcohol bound Dye Decolorizing peroxidase from Bacillus subtilis | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Dhankhar, P, Dalal, V, Kumar, P. | Deposit date: | 2020-11-27 | Release date: | 2021-11-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of dye-decolorizing peroxidase from Bacillus subtilis in complex with veratryl alcohol. Int.J.Biol.Macromol., 193, 2021
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7E5Q
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![BU of 7e5q by Molmil](/molmil-images/mine/7e5q) | Crystal Structure of Dye Decolorizing peroxidase from Bacillus subtilis at acidic pH | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, CITRIC ACID, ... | Authors: | Dhankhar, P, Dalal, V, Kumar, P. | Deposit date: | 2021-02-19 | Release date: | 2022-08-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insights at acidic pH of dye-decolorizing peroxidase from Bacillus subtilis. Proteins, 2022
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5V2W
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![BU of 5v2w by Molmil](/molmil-images/mine/5v2w) | Crystal structure of a LuxS from salmonella typhi | Descriptor: | S-ribosylhomocysteine lyase, ZINC ION | Authors: | Perumal, P, Raina, R, Manoj Kumar, P, Arockisamy, A, SundaraBaalaji, N. | Deposit date: | 2017-03-06 | Release date: | 2017-08-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a LuxS from salmonella typhi To Be Published
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1LJX
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![BU of 1ljx by Molmil](/molmil-images/mine/1ljx) | THE STRUCTURE OF D(TPGPCPGPCPA)2 AT 293K: COMPARISON OF THE EFFECT OF SEQUENCE AND TEMPERATURE | Descriptor: | 5'-D(*TP*GP*CP*GP*CP*A)-3', MAGNESIUM ION | Authors: | Thiyagarajan, S, Satheesh Kumar, P, Rajan, S.S, Gautham, N. | Deposit date: | 2002-04-23 | Release date: | 2002-05-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Structure of d(TGCGCA)2 at 293 K: comparison of the effects of sequence and temperature. Acta Crystallogr.,Sect.D, 58, 2002
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2GES
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![BU of 2ges by Molmil](/molmil-images/mine/2ges) | Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with a coenzyme A derivative, Form-I (RT) | Descriptor: | Pantothenate kinase, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-3-HYDROXY-4-{[3-({2-[(2-HYDROXYETHYL)DITHIO]ETHYL}AMINO)-3-OXOPROPYL]AMINO}-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE | Authors: | Das, S, Kumar, P, Bhor, V, Surolia, A, Vijayan, M. | Deposit date: | 2006-03-20 | Release date: | 2006-06-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Invariance and variability in bacterial PanK: a study based on the crystal structure of Mycobacterium tuberculosis PanK. Acta Crystallogr.,Sect.D, 62, 2006
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2Y99
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![BU of 2y99 by Molmil](/molmil-images/mine/2y99) | Crystal Structure of cis-Biphenyl-2,3-dihydrodiol-2,3-dehydrogenase (BphB)from Pandoraea pnomenusa strain B-356 complex with co-enzyme NAD | Descriptor: | CIS-2,3-DIHYDROBIPHENYL-2,3-DIOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Dhindwal, S, Patil, D.N, Kumar, P. | Deposit date: | 2011-02-12 | Release date: | 2011-08-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Biochemical Studies and Ligand-Bound Structures of Biphenyl Dehydrogenase from Pandoraea Pnomenusa Strain B-356 Reveal a Basis for Broad Specificity of the Enzyme. J.Biol.Chem., 286, 2011
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6V03
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![BU of 6v03 by Molmil](/molmil-images/mine/6v03) | ELIC-propylammonium complex in POPC-only nanodiscs | Descriptor: | 3-AMINOPROPANE, Gamma-aminobutyric-acid receptor subunit beta-1 | Authors: | Grosman, C, Kumar, P. | Deposit date: | 2019-11-18 | Release date: | 2020-01-15 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structures of a lipid-sensitive pentameric ligand-gated ion channel embedded in a phosphatidylcholine-only bilayer. Proc.Natl.Acad.Sci.USA, 117, 2020
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