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2XSO
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BU of 2xso by Molmil
CRYSTAL STRUCTURE OF P4 VARIANT OF BIPHENYL DIOXYGENASE FROM BURKHOLDERIA XENOVORANS LB400
分子名称: BIPHENYL DIOXYGENASE SUBUNIT ALPHA, BIPHENYL DIOXYGENASE SUBUNIT BETA, FE (II) ION, ...
著者Kumar, P, Bolin, J.T.
登録日2010-09-29
公開日2010-11-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Insight Into the Expanded Pcb-Degrading Abilities of a Biphenyl Dioxygenase Obtained by Directed Evolution.
J.Mol.Biol., 405, 2011
2XRX
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BU of 2xrx by Molmil
CRYSTAL STRUCTURE OF BIPHENYL DIOXYGENASE IN COMPLEX WITH BIPHENYL FROM BURKHOLDERIA XENOVORANS LB400
分子名称: BIPHENYL, BIPHENYL DIOXYGENASE SUBUNIT ALPHA, BIPHENYL DIOXYGENASE SUBUNIT BETA, ...
著者Kumar, P, Bolin, J.T.
登録日2010-09-23
公開日2010-11-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structural Insight Into the Expanded Pcb-Degrading Abilities of a Biphenyl Dioxygenase Obtained by Directed Evolution.
J.Mol.Biol., 405, 2011
2YFL
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BU of 2yfl by Molmil
Crystal Structure of Biphenyl dioxygenase variant RR41 with 2-chloro dibenzofuran
分子名称: 2-CHLORODIBENZOFURAN, BIPHENYL DIOXYGENASE SUBUNIT ALPHA, BIPHENYL DIOXYGENASE SUBUNIT BETA, ...
著者Kumar, P, Bolin, J.T.
登録日2011-04-06
公開日2012-05-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Insights Into the Metabolism of 2-Chlorodibenzofuran by an Evolved Biphenyl Dioxygenase.
Biochem.Biophys.Res.Commun., 421, 2012
3BP4
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BU of 3bp4 by Molmil
The high resolution crystal structure of HLA-B*2705 in complex with a Cathepsin A signal sequence peptide pCatA
分子名称: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
著者Kumar, P, Vahedi-Faridi, A, Saenger, W, Uchanska-Ziegler, B, Ziegler, A.
登録日2007-12-18
公開日2008-12-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural basis for T cell alloreactivity among three HLA-B14 and HLA-B27 antigens
J.Biol.Chem., 284, 2009
3BP7
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BU of 3bp7 by Molmil
The high resolution crystal structure of HLA-B*2709 in complex with a Cathepsin A signal sequence peptide, pCatA
分子名称: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
著者Kumar, P, Vahedi-Faridi, A, Saenger, W, Uchanska-Ziegler, B, Ziegler, A.
登録日2007-12-18
公開日2008-12-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for T cell alloreactivity among three HLA-B14 and HLA-B27 antigens
J.Biol.Chem., 284, 2009
3BXN
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BU of 3bxn by Molmil
The high resolution crystal structure of HLA-B*1402 complexed with a Cathepsin A signal sequence peptide, pCatA
分子名称: Cathepsin A signal sequence octapeptide, GLYCEROL, HLA-B*1402 extracellular domain, ...
著者Kumar, P, Vahedi-Faridi, A, Saenger, W, Uchanska-Ziegler, B, Ziegler, A.
登録日2008-01-14
公開日2009-02-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.864 Å)
主引用文献Structural basis for T cell alloreactivity among three HLA-B14 and HLA-B27 antigens
J.Biol.Chem., 284, 2009
3D55
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BU of 3d55 by Molmil
Crystal structure of M. tuberculosis YefM antitoxin
分子名称: SULFATE ION, Uncharacterized protein Rv3357/MT3465
著者Kumar, P, Issac, B, Dodson, E.J, Turkenberg, J.P, Mande, S.C.
登録日2008-05-15
公開日2008-12-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis YefM antitoxin reveals that it is not an intrinsically unstructured protein
J.Mol.Biol., 383, 2008
3CTO
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BU of 3cto by Molmil
Crystal Structure of M. tuberculosis YefM antitoxin
分子名称: SULFATE ION, Uncharacterized protein Rv3357/MT3465
著者Kumar, P, Issac, B, Dodson, E.J, Turkenberg, J.P, Mande, S.C.
登録日2008-04-14
公開日2008-12-02
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis YefM antitoxin reveals that it is not an intrinsically unstructured protein
J.Mol.Biol., 383, 2008
5DUJ
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BU of 5duj by Molmil
Crystal structure of ldtMt2 in complex with Faropenem adduct
分子名称: (2R,5R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid, BETA-MERCAPTOETHANOL, L,D-transpeptidase 2, ...
著者Kumar, P, Lamichhane, G.
登録日2015-09-18
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
5DU7
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BU of 5du7 by Molmil
Crystal structure of ldtMt2 at 1.79 Angstrom resolution
分子名称: L,D-transpeptidase 2
著者Kumar, P, Lamichhane, G.
登録日2015-09-18
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
5E1I
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BU of 5e1i by Molmil
Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T210
分子名称: (2S,3R,4R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-(methylsulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, GLYCEROL, L,D-transpeptidase 2, ...
著者Kumar, P, Ginell, S.L, Lamichhane, G.
登録日2015-09-29
公開日2016-10-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.003 Å)
主引用文献Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
5DZJ
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BU of 5dzj by Molmil
Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T206 in conformation A
分子名称: (2~{R},3~{R},4~{R})-4-methyl-3-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, L,D-transpeptidase 2
著者Kumar, P, Ginell, S.L, Lamichhane, G.
登録日2015-09-25
公開日2016-10-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.095 Å)
主引用文献Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
5E51
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BU of 5e51 by Molmil
Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 1 with Faropenem adduct
分子名称: (3R)-3-hydroxybutanal, L,D-transpeptidase 1
著者Kumar, P, Lamichhane, G, Ginell, S.L.
登録日2015-10-07
公開日2016-10-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
5E1G
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BU of 5e1g by Molmil
Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T208
分子名称: (2~{S},3~{R},4~{R})-4-(2-cyclohexyloxy-2-oxidanylidene-ethyl)sulfanyl-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, L,D-transpeptidase 2
著者Kumar, P, Lamichhane, G, Ginell, S.L.
登録日2015-09-29
公開日2016-10-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.852 Å)
主引用文献Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
5DZP
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BU of 5dzp by Molmil
Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T206 in conformation B
分子名称: (2~{R},3~{R},4~{R})-4-methyl-3-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, L,D-transpeptidase 2
著者Kumar, P, Ginell, S.L, Lamichhane, G.
登録日2015-09-25
公開日2016-10-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
5DVP
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BU of 5dvp by Molmil
Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with Doripenem adduct
分子名称: (2S,3R,4S)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, L,D-transpeptidase 2, PHOSPHONOACETALDEHYDE, ...
著者Kumar, P, Lamichhane, G.
登録日2015-09-21
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
5E5L
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BU of 5e5l by Molmil
Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 1 at 1.89 Angstrom
分子名称: L,D-transpeptidase 1
著者Kumar, P, Lamichhane, G, Ginell, S.L.
登録日2015-10-08
公開日2016-10-26
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
7OUP
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BU of 7oup by Molmil
Structure of human DPP3 in complex with a hydroxyethylene transition state peptidomimetic
分子名称: ((2R,4S,5S)-5-((S)-2-amino-3-methylbutanamido)-2-benzyl-4-hydroxy-6-methylheptanoyl)-L-prolyl-L-tryptophan, Dipeptidyl peptidase 3, MAGNESIUM ION, ...
著者Kumar, P, Reithofer, V, Gruber, K.
登録日2021-06-12
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Efficient Entropy-Driven Inhibition of Dipeptidyl Peptidase III by Hydroxyethylene Transition-State Peptidomimetics.
Chemistry, 27, 2021
5K69
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Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T224
分子名称: (2~{S},3~{R},4~{R})-4-(1~{H}-indol-3-ylsulfanyl)-3-methyl-2-[(2~{S},3~{S})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, GLYCEROL, L,D-transpeptidase 2
著者Lamichhane, G, Ginell, S.L, Kumar, P.
登録日2016-05-24
公開日2016-11-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
6MB4
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BU of 6mb4 by Molmil
Binary (sisomicin) structure of AAC-IIIb
分子名称: (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
著者Cuneo, M.J, Kumar, P.
登録日2018-08-29
公開日2018-11-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Encoding of Promiscuity in an Aminoglycoside Acetyltransferase.
J. Med. Chem., 61, 2018
6MB6
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AAC-IIIb binary with CoASH
分子名称: Aac(3)-IIIb protein, COENZYME A, MALONATE ION
著者Cuneo, M.J, Kumar, P.
登録日2018-08-29
公開日2018-11-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Encoding of Promiscuity in an Aminoglycoside Acetyltransferase.
J. Med. Chem., 61, 2018
6MB5
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AAC-IIIb binary with NEOMYCIN
分子名称: Aac(3)-IIIb protein, NEOMYCIN
著者Cuneo, M.J, Kumar, P.
登録日2018-08-29
公開日2018-11-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Encoding of Promiscuity in an Aminoglycoside Acetyltransferase.
J. Med. Chem., 61, 2018
6MB7
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BU of 6mb7 by Molmil
Binary (paromomycin) structure of AAC-IIIb
分子名称: Aac(3)-IIIb protein, PAROMOMYCIN
著者Cuneo, M.J, Kumar, P.
登録日2018-08-29
公開日2018-11-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Encoding of Promiscuity in an Aminoglycoside Acetyltransferase.
J. Med. Chem., 61, 2018
6MB9
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Ternary (neomycin/CoA) structure of AAC-IIIb
分子名称: Aac(3)-IIIb protein, COENZYME A, NEOMYCIN, ...
著者Cuneo, M.J, Kumar, P.
登録日2018-08-29
公開日2018-11-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Encoding of Promiscuity in an Aminoglycoside Acetyltransferase.
J. Med. Chem., 61, 2018
6MB8
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Apo structure of AAC-IIIb
分子名称: Aac(3)-IIIb protein, CHLORIDE ION
著者Cuneo, M.J, Kumar, P.
登録日2018-08-29
公開日2018-11-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Encoding of Promiscuity in an Aminoglycoside Acetyltransferase.
J. Med. Chem., 61, 2018

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