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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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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3GZY
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![BU of 3gzy by Molmil](/molmil-images/mine/3gzy) | Crystal Structure of the Biphenyl Dioxygenase from Comamonas testosteroni Sp. Strain B-356 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Biphenyl dioxygenase subunit alpha, Biphenyl dioxygenase subunit beta, ... | Authors: | Kumar, P, Colbert, C.L, Bolin, J.T. | Deposit date: | 2009-04-08 | Release date: | 2010-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structural Characterization of Pandoraea pnomenusa B-356 Biphenyl Dioxygenase Reveals Features of Potent Polychlorinated Biphenyl-Degrading Enzymes Plos One, 8, 2013
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3GZX
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![BU of 3gzx by Molmil](/molmil-images/mine/3gzx) | Crystal Structure of the Biphenyl Dioxygenase in complex with Biphenyl from Comamonas testosteroni Sp. Strain B-356 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BIPHENYL, Biphenyl dioxygenase subunit alpha, ... | Authors: | Kumar, P, Colbert, C.L, Bolin, J.T. | Deposit date: | 2009-04-08 | Release date: | 2010-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structural Characterization of Pandoraea pnomenusa B-356 Biphenyl Dioxygenase Reveals Features of Potent Polychlorinated Biphenyl-Degrading Enzymes Plos One, 8, 2013
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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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6V0B
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![BU of 6v0b by Molmil](/molmil-images/mine/6v0b) | Unliganded ELIC in POPC-only nanodiscs. | Descriptor: | 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 (4.1 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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5AEU
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![BU of 5aeu by Molmil](/molmil-images/mine/5aeu) | Crystal structure of II9 variant of Biphenyl dioxygenase from Burkholderia xenovorans LB400 | Descriptor: | BIPHENYL DIOXYGENASE SUBUNIT ALPHA, BIPHENYL DIOXYGENASE SUBUNIT BETA, FE (II) ION, ... | Authors: | Dhindwal, S, Gomez-Gil, L, Sylvestre, M, Eltis, L.D, Bolin, J.T, Kumar, P. | Deposit date: | 2015-01-10 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structural Basis of the Enhanced Pollutant-Degrading Capabilities of an Engineered Biphenyl Dioxygenase J.Bacteriol., 198, 2016
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6BC4
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![BU of 6bc4 by Molmil](/molmil-images/mine/6bc4) | |
6BBZ
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![BU of 6bbz by Molmil](/molmil-images/mine/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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6BBR
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![BU of 6bbr by Molmil](/molmil-images/mine/6bbr) | |
6BC2
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![BU of 6bc2 by Molmil](/molmil-images/mine/6bc2) | |
6BC7
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![BU of 6bc7 by Molmil](/molmil-images/mine/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
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![BU of 6bc6 by Molmil](/molmil-images/mine/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
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![BU of 6bc3 by Molmil](/molmil-images/mine/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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![BU of 6bc5 by Molmil](/molmil-images/mine/6bc5) | |
6BMS
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![BU of 6bms by Molmil](/molmil-images/mine/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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7L6Q
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![BU of 7l6q by Molmil](/molmil-images/mine/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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7F71
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![BU of 7f71 by Molmil](/molmil-images/mine/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
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![BU of 7f8p by Molmil](/molmil-images/mine/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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2YFI
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![BU of 2yfi by Molmil](/molmil-images/mine/2yfi) | |
2YFJ
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![BU of 2yfj by Molmil](/molmil-images/mine/2yfj) | Crystal structure of Biphenyl dioxygenase variant RR41 with dibenzofuran | Descriptor: | BIPHENYL DIOXYGENASE SUBUNIT ALPHA, BIPHENYL DIOXYGENASE SUBUNIT BETA, DIBENZOFURAN, ... | Authors: | Kumar, P, Sylvestre, M, Bolin, J.T. | Deposit date: | 2011-04-06 | Release date: | 2011-06-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Retuning Rieske-Type Oxygenases to Expand Substrate Range. J.Biol.Chem., 286, 2011
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5XLW
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![BU of 5xlw by Molmil](/molmil-images/mine/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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4Y0T
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![BU of 4y0t by Molmil](/molmil-images/mine/4y0t) | Crystal structure of apo form of OXA-58, a Carbapenem hydrolyzing Class D beta-lactamase from Acinetobacter baumanii (P21, 4mol/ASU) | Descriptor: | Beta-lactamase | Authors: | Pratap, S, Katiki, M, Gill, P, Golemi-Kotra, D, Kumar, P. | Deposit date: | 2015-02-06 | Release date: | 2016-01-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Active-Site Plasticity Is Essential to Carbapenem Hydrolysis by OXA-58 Class D beta-Lactamase of Acinetobacter baumannii. Antimicrob.Agents Chemother., 60, 2015
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4Y0O
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![BU of 4y0o by Molmil](/molmil-images/mine/4y0o) | Crystal structure of OXA-58, a carbapenem hydrolyzing Class D beta-lactamase from Acinetobacter baumanii. | Descriptor: | Beta-lactamase | Authors: | Pratap, S, Katiki, M, Gill, P, Golemi-Kotra, D, Kumar, P. | Deposit date: | 2015-02-06 | Release date: | 2016-01-13 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Active-Site Plasticity Is Essential to Carbapenem Hydrolysis by OXA-58 Class D beta-Lactamase of Acinetobacter baumannii. Antimicrob.Agents Chemother., 60, 2015
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4Y0U
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![BU of 4y0u by Molmil](/molmil-images/mine/4y0u) | Crystal Structure of 6Alpha-Hydroxymethylpenicillanate Complexed with OXA-58, a Carbapenem hydrolyzing Class D betalactamase from Acinetobacter baumanii. | Descriptor: | 2-(1-CARBOXY-2-HYDROXY-ETHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, Beta-lactamase | Authors: | Pratap, S, Katiki, M, Gill, P, Golemi-Kotra, D, Kumar, P. | Deposit date: | 2015-02-06 | Release date: | 2016-01-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Active-Site Plasticity Is Essential to Carbapenem Hydrolysis by OXA-58 Class D beta-Lactamase of Acinetobacter baumannii. Antimicrob.Agents Chemother., 60, 2015
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