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6MB9
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BU of 6mb9 by Molmil
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
6MB6
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BU of 6mb6 by Molmil
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
7F8P
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BU of 7f8p by Molmil
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
7F71
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BU of 7f71 by Molmil
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
5AEU
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BU of 5aeu by Molmil
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
2YFI
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BU of 2yfi by Molmil
Crystal Structure of Biphenyl dioxygenase variant RR41 (BPDO-RR41)
Descriptor: BIPHENYL DIOXYGENASE SUBUNIT ALPHA, BIPHENYL DIOXYGENASE SUBUNIT BETA, FE (II) ION, ...
Authors:Kumar, P, 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
2YFJ
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BU of 2yfj by Molmil
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
7L6Q
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BU of 7l6q by Molmil
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
6BBZ
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BU of 6bbz by Molmil
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
6BC4
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BU of 6bc4 by Molmil
Cryo X-ray structure of acetyl coenzyme A bound AAC-VIa
Descriptor: AAC 3-VI protein, ACETYL 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 (2.049 Å)
Cite:A low-barrier hydrogen bond mediates antibiotic resistance in a noncanonical catalytic triad.
Sci Adv, 4, 2018
6BBR
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BU of 6bbr by Molmil
Room temperature neutron/X-ray structure of AAC-VIa
Descriptor: AAC 3-VI protein, MAGNESIUM ION
Authors:Cuneo, M.J, Kumar, P, Serpersu, E.H.
Deposit date:2017-10-19
Release date:2018-02-28
Last modified:2023-10-04
Method:NEUTRON DIFFRACTION (2.002 Å), X-RAY DIFFRACTION
Cite:A low-barrier hydrogen bond mediates antibiotic resistance in a noncanonical catalytic triad.
Sci Adv, 4, 2018
6BC2
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BU of 6bc2 by Molmil
Cryo X-ray structure of acetylsisomicin bound AAC-VIa
Descriptor: AAC 3-VI protein, MAGNESIUM ION, acetylsisomicin
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 (2.195 Å)
Cite:A low-barrier hydrogen bond mediates antibiotic resistance in a noncanonical catalytic triad.
Sci Adv, 4, 2018
6BC7
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BU of 6bc7 by Molmil
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
6BC6
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BU of 6bc6 by Molmil
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
6BC3
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BU of 6bc3 by Molmil
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
6BC5
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BU of 6bc5 by Molmil
Cryo X-ray structure of coenzyme A bound AAC-VIa
Descriptor: 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 (2.2 Å)
Cite:A low-barrier hydrogen bond mediates antibiotic resistance in a noncanonical catalytic triad.
Sci Adv, 4, 2018
6BMS
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BU of 6bms by Molmil
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
7LVT
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BU of 7lvt by Molmil
Structure of full-length GluK1 with L-Glu
Descriptor: Isoform Glur5-2 of Glutamate receptor ionotropic, kainate 1
Authors:Meyerson, J.R, Selvakumar, P.
Deposit date:2021-02-26
Release date:2021-11-03
Last modified:2021-11-10
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structural and compositional diversity in the kainate receptor family.
Cell Rep, 37, 2021
8EX1
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BU of 8ex1 by Molmil
Crystal structure of JAK2 JH2 (pseudokinase domain) in complex with Reversine
Descriptor: GLYCEROL, N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine, Tyrosine-protein kinase JAK2
Authors:Sampathkumar, P, Hubbard, S.R.
Deposit date:2022-10-24
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8EX0
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BU of 8ex0 by Molmil
Crystal structure of JAK2 JH2 (pseudokinase domain) in complex with CDK2-IV
Descriptor: 4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide, Tyrosine-protein kinase JAK2
Authors:Sampathkumar, P, Hubbard, S.R.
Deposit date:2022-10-24
Release date:2023-02-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8EX2
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BU of 8ex2 by Molmil
Crystal structure of JAK2 JH2 (pseudokinase domain) in complex with HTSA3
Descriptor: 3,5-diphenyl-2-(trifluoromethyl)-6~{H}-pyrazolo[1,5-a]pyrimidin-7-one, GLYCEROL, Tyrosine-protein kinase JAK2
Authors:Sampathkumar, P, Hubbard, S.R.
Deposit date:2022-10-24
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
7SSY
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BU of 7ssy by Molmil
Structure of human Kv1.3 (alternate conformation)
Descriptor: POTASSIUM ION, Potassium voltage-gated channel subfamily A member 3,Green fluorescent protein fusion
Authors:Meyerson, J.R, Selvakumar, P.
Deposit date:2021-11-11
Release date:2022-06-29
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Structures of the T cell potassium channel Kv1.3 with immunoglobulin modulators.
Nat Commun, 13, 2022
7SSX
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BU of 7ssx by Molmil
Structure of human Kv1.3
Descriptor: POTASSIUM ION, Potassium voltage-gated channel subfamily A member 3, Green fluorescent protein fusion
Authors:Meyerson, J.R, Selvakumar, P.
Deposit date:2021-11-11
Release date:2022-06-29
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Structures of the T cell potassium channel Kv1.3 with immunoglobulin modulators.
Nat Commun, 13, 2022
7SSZ
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BU of 7ssz by Molmil
Structure of human Kv1.3 with A0194009G09 nanobodies
Descriptor: Nanobody A0194009G09, POTASSIUM ION, Potassium voltage-gated channel subfamily A member 3,Green fluorescent protein fusion
Authors:Meyerson, J.R, Selvakumar, P.
Deposit date:2021-11-11
Release date:2022-06-29
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Structures of the T cell potassium channel Kv1.3 with immunoglobulin modulators.
Nat Commun, 13, 2022
7SSV
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BU of 7ssv by Molmil
Structure of human Kv1.3 with Fab-ShK fusion
Descriptor: Fab-ShK fusion, heavy chain, light chain, ...
Authors:Meyerson, J.R, Selvakumar, P, Smider, V, Huang, R.
Deposit date:2021-11-11
Release date:2022-06-29
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Structures of the T cell potassium channel Kv1.3 with immunoglobulin modulators.
Nat Commun, 13, 2022

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