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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6BBZ
 | | Room temperature neutron/X-ray structure of sisomicin bound AAC-VIa | | 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-VI protein, MAGNESIUM ION | | Authors: | Cuneo, M.J, Kumar, P. | | Deposit date: | 2017-10-20 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION | | Cite: | A low-barrier hydrogen bond mediates antibiotic resistance in a noncanonical catalytic triad.
Sci Adv, 4, 2018
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6BC4
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6BBR
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6BC2
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6BC7
 | | Cryo X-ray structure of sisomicin bound AAC-VIa | | 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-VI protein, ACETATE ION | | Authors: | Cuneo, M.J, Kumar, P. | | Deposit date: | 2017-10-20 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A low-barrier hydrogen bond mediates antibiotic resistance in a noncanonical catalytic triad.
Sci Adv, 4, 2018
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6BC6
 | | Cryo X-ray structure of apo AAC-VIa | | Descriptor: | AAC 3-VI protein, MAGNESIUM ION | | Authors: | Cuneo, M.J, Kumar, P. | | Deposit date: | 2017-10-20 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A low-barrier hydrogen bond mediates antibiotic resistance in a noncanonical catalytic triad.
Sci Adv, 4, 2018
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6BC3
 | | Cryo X-ray structure of sisomicin bound AAC-VIa | | 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-VI protein, COENZYME A | | Authors: | Cuneo, M.J, Kumar, P, Serpersu, E.H. | | Deposit date: | 2017-10-20 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.047 Å) | | Cite: | A low-barrier hydrogen bond mediates antibiotic resistance in a noncanonical catalytic triad.
Sci Adv, 4, 2018
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6BC5
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6BMS
 | | Palmitoyltransferase structure | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, DODECYL-BETA-D-MALTOSIDE, PALMITIC ACID, ... | | Authors: | Kumar, P, Rajashankar, K. | | Deposit date: | 2017-11-15 | | Release date: | 2018-01-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.441 Å) | | Cite: | Fatty acyl recognition and transfer by an integral membraneS-acyltransferase.
Science, 359, 2018
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7F71
 | | Crystal structure of the Mycobacterium tuberculosis L,D-transpeptidase-2 (LdtMt2) with peptidoglycan sugar moiety and glutamate | | Descriptor: | GLUTAMIC ACID, GLYCEROL, L,D-transpeptidase 2, ... | | Authors: | Kumar, P, Lamichhane, G. | | Deposit date: | 2021-06-26 | | Release date: | 2022-05-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Allosteric cooperation in beta-lactam binding to a non-classical transpeptidase.
Elife, 11, 2022
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7F8P
 | | Crystal structure of the Mycobacterium tuberculosis L,D-transpeptidase-2 (LdtMt2) with new carbapenem drug T203 | | Descriptor: | (2R,3R)-3-methyl-4-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-2-[(2R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1H-pyrrole-5-carboxylic acid, (4R,5S,6S)-6-((R)-1-hydroxyethyl)-3-((2-isopropoxy-2-oxoethyl)thio)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, GLUTAMIC ACID, ... | | Authors: | Kumar, P, Lamichhane, G. | | Deposit date: | 2021-07-02 | | Release date: | 2022-05-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Allosteric cooperation in beta-lactam binding to a non-classical transpeptidase.
Elife, 11, 2022
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7L6Q
 | | Unliganded ELIC in styrene-maleic-acid nanodiscs at 2.5-Angstrom resolution | | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CARDIOLIPIN, Gamma-aminobutyric-acid receptor subunit beta-1 | | Authors: | Grosman, C, Kumar, P. | | Deposit date: | 2020-12-23 | | Release date: | 2021-06-23 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Structure and function at the lipid-protein interface of a pentameric ligand-gated ion channel.
Proc.Natl.Acad.Sci.USA, 118, 2021
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8JFF
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8JFV
 | | Crystal structure of Catabolite repressor acivator from E. coli in complex with sulisobenzone | | Descriptor: | 1,2-ETHANEDIOL, 2-methoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Neetu, N, Sharma, M, Mahto, J.K, Kumar, P. | | Deposit date: | 2023-05-19 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Sulisobenzone is a potent inhibitor of the global transcription factor Cra.
J.Struct.Biol., 215, 2023
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4UMF
 | | Crystal structure of 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase from Moraxella catarrhalis in complex with Magnesium ion, Phosphate ion and KDO molecule | | Descriptor: | 3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE PHOSPHATASE KDSC, 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, MAGNESIUM ION, ... | | Authors: | Dhindwal, S, Tomar, S, Kumar, P. | | Deposit date: | 2014-05-16 | | Release date: | 2015-02-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Ligand-Bound Structures of 3-Deoxy-D-Manno-Octulosonate 8-Phosphate Phosphatase from Moraxella Catarrhalis Reveal a Water Channel Connecting to the Active Site for the Second Step of Catalysis
Acta Crystallogr.,Sect.D, 71, 2015
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4UME
 | | Crystal structure of 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase from Moraxella catarrhalis in complex with Magnesium ion and KDO molecule | | Descriptor: | 3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE PHOSPHATASE KDSC, 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, MAGNESIUM ION | | Authors: | Dhindwal, S, Tomar, S, Kumar, P. | | Deposit date: | 2014-05-16 | | Release date: | 2015-02-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Ligand-Bound Structures of 3-Deoxy-D-Manno-Octulosonate 8-Phosphate Phosphatase from Moraxella Catarrhalis Reveal a Water Channel Connecting to the Active Site for the Second Step of Catalysis
Acta Crystallogr.,Sect.D, 71, 2015
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4UM7
 | | Crystal structure of 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase (kdsC) from Moraxella catarrhalis in complex with Magnesium ion | | Descriptor: | 1,2-ETHANEDIOL, 3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE PHOSPHATASE KDSC, MAGNESIUM ION | | Authors: | Dhindwal, S, Tomar, S, Kumar, P. | | Deposit date: | 2014-05-15 | | Release date: | 2015-02-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Ligand-Bound Structures of 3-Deoxy-D-Manno-Octulosonate 8-Phosphate Phosphatase from Moraxella Catarrhalis Reveal a Water Channel Connecting to the Active Site for the Second Step of Catalysis
Acta Crystallogr.,Sect.D, 71, 2015
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4UM5
 | | Crystal structure of 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase from Moraxella catarrhalis in complex with Magnesium ion and Phosphate ion | | Descriptor: | 1,2-ETHANEDIOL, 3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE PHOSPHATASE KDSC, MAGNESIUM ION, ... | | Authors: | Dhindwal, S, Tomar, S, Kumar, P. | | Deposit date: | 2014-05-15 | | Release date: | 2015-02-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Ligand-Bound Structures of 3-Deoxy-D-Manno-Octulosonate 8-Phosphate Phosphatase from Moraxella Catarrhalis Reveal a Water Channel Connecting to the Active Site for the Second Step of Catalysis
Acta Crystallogr.,Sect.D, 71, 2015
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4UMD
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5XLW
 | | Mycobacterium tuberculosis Pantothenate kinase mutant F247A/F254A | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ... | | Authors: | Paul, A, Kumar, P, Surolia, A, Vijayan, M. | | Deposit date: | 2017-05-11 | | Release date: | 2018-05-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Biochemical and structural studies of mutants indicate concerted movement of the dimer interface and ligand-binding region of Mycobacterium tuberculosis pantothenate kinase
Acta Crystallogr F Struct Biol Commun, 73, 2017
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7W61
 | | Crystal structure of farnesol dehydrogenase from Helicoverpa armigera | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Farnesol dehydrogenase, ... | | Authors: | Kumar, R, Das, J, Mahto, J.K, Sharma, M, Kumar, P, Sharma, A.K. | | Deposit date: | 2021-12-01 | | Release date: | 2022-07-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure and molecular characterization of NADP + -farnesol dehydrogenase from cotton bollworm, Helicoverpaarmigera.
Insect Biochem.Mol.Biol., 147, 2022
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5GMU
 | | Crystal structure of chorismate mutase like domain of bifunctional DAHP synthase of Bacillus subtilis in complex with Chlorogenic acid | | Descriptor: | (1R,3R,4S,5R)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid, Protein AroA(G), SULFATE ION | | Authors: | Pratap, S, Dev, A, Sharma, V, Yadav, R, Narwal, M, Tomar, S, Kumar, P. | | Deposit date: | 2016-07-16 | | Release date: | 2017-07-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of Chorismate Mutase-like Domain of DAHPS from Bacillus subtilis Complexed with Novel Inhibitor Reveals Conformational Plasticity of Active Site.
Sci Rep, 7, 2017
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5GO2
 | | Crystal structure of chorismate mutase like domain of bifunctional DAHP synthase of Bacillus subtilis in complex with Citrate | | Descriptor: | CITRIC ACID, Protein AroA(G), SULFATE ION | | Authors: | Pratap, S, Dev, A, Sharma, V, Yadav, R, Narwal, M, Tomar, S, Kumar, P. | | Deposit date: | 2016-07-26 | | Release date: | 2017-07-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.907 Å) | | Cite: | Structure of Chorismate Mutase-like Domain of DAHPS from Bacillus subtilis Complexed with Novel Inhibitor Reveals Conformational Plasticity of Active Site.
Sci Rep, 7, 2017
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5XMB
 | | Mycobacterium tuberculosis Pantothenate kinase mutant F247A | | Descriptor: | Pantothenate kinase, SULFATE ION | | Authors: | Paul, A, Kumar, P, Surolia, A, Vijayan, M. | | Deposit date: | 2017-05-13 | | Release date: | 2018-05-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Biochemical and structural studies of mutants indicate concerted movement of the dimer interface and ligand-binding region of Mycobacterium tuberculosis pantothenate kinase
Acta Crystallogr F Struct Biol Commun, 73, 2017
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