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3MK3
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BU of 3mk3 by Molmil
Crystal structure of Lumazine synthase from Salmonella typhimurium LT2
分子名称: 6,7-dimethyl-8-ribityllumazine synthase, SULFATE ION
著者Kumar, P, Singh, M, Karthikeyan, S.
登録日2010-04-14
公開日2011-02-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.569 Å)
主引用文献Crystal structure analysis of icosahedral lumazine synthase from Salmonella typhimurium, an antibacterial drug target.
Acta Crystallogr.,Sect.D, 67, 2011
3NQ4
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BU of 3nq4 by Molmil
30mer structure of Lumazine synthase from Salmonella typhimurium LT2
分子名称: 6,7-dimethyl-8-ribityllumazine synthase, SULFATE ION
著者Kumar, P, Singh, M, Karthikeyan, S.
登録日2010-06-29
公開日2011-06-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Crystal structure of Lumazine synthase from Salmonella typhimurium LT2
To be Published
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2024-10-09
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
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2024-11-20
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
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2024-10-09
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
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2024-11-20
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
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
6NP3
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BU of 6np3 by Molmil
AAC-VIa bound to Gentamicin
分子名称: (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
著者Kumar, P, Cuneo, M.J.
登録日2019-01-17
公開日2019-09-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Low-Barrier and Canonical Hydrogen Bonds Modulate Activity and Specificity of a Catalytic Triad.
Angew.Chem.Int.Ed.Engl., 58, 2019
6NP1
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BU of 6np1 by Molmil
Product state mimicry leads to aminoglycoside discrimination in an antibiotic acetyltransferase
分子名称: Aminoglycoside N(3)-acetyltransferase, MAGNESIUM ION
著者Kumar, P, Cuneo, M.J.
登録日2019-01-17
公開日2019-09-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Low-Barrier and Canonical Hydrogen Bonds Modulate Activity and Specificity of a Catalytic Triad.
Angew.Chem.Int.Ed.Engl., 58, 2019
6NP5
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BU of 6np5 by Molmil
AAC-VIa bound to Kanamycin B
分子名称: (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
著者Kumar, P, Cuneo, M.J.
登録日2019-01-17
公開日2019-09-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.353 Å)
主引用文献Low-Barrier and Canonical Hydrogen Bonds Modulate Activity and Specificity of a Catalytic Triad.
Angew.Chem.Int.Ed.Engl., 58, 2019
6NP2
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BU of 6np2 by Molmil
AAC-VIa bound to Sisomicin
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, Aminoglycoside N(3)-acetyltransferase, MAGNESIUM ION
著者Kumar, P, Cuneo, M.J.
登録日2019-01-17
公開日2019-09-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Low-Barrier and Canonical Hydrogen Bonds Modulate Activity and Specificity of a Catalytic Triad.
Angew.Chem.Int.Ed.Engl., 58, 2019
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2024-11-20
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
1JW1
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BU of 1jw1 by Molmil
Crystallization and structure determination of goat lactoferrin at 4.0 resolution: A new form of packing in lactoferrins with a high solvent content in crystals
分子名称: FE (III) ION, LACTOFERRIN
著者Kumar, P, Yadav, S, Singh, T.P.
登録日2001-09-02
公開日2003-04-29
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Crystallization and structure determonation of goat lactoferrin at 4.0A resolution: A new form of packing in lactoferrins with a high solvent content in crystals
INDIAN J.BIOCHEM.BIOPHYS., 39, 2002
6NP4
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BU of 6np4 by Molmil
AAC-VIa bound to Tobramycin
分子名称: Aminoglycoside N(3)-acetyltransferase, MAGNESIUM ION, TOBRAMYCIN
著者Kumar, P, Cuneo, M.J.
登録日2019-01-17
公開日2019-09-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.151 Å)
主引用文献Low-Barrier and Canonical Hydrogen Bonds Modulate Activity and Specificity of a Catalytic Triad.
Angew.Chem.Int.Ed.Engl., 58, 2019
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
4R62
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BU of 4r62 by Molmil
Structure of Rad6~Ub
分子名称: ACETATE ION, Ubiquitin-40S ribosomal protein S27a, Ubiquitin-conjugating enzyme E2 2
著者Kumar, P, Wolberger, C.
登録日2014-08-22
公開日2015-09-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Role of a non-canonical surface of Rad6 in ubiquitin conjugating activity.
Nucleic Acids Res., 43, 2015
3BO8
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BU of 3bo8 by Molmil
The High Resolution Crystal Structure of HLA-A1 Complexed with the MAGE-A1 Peptide
分子名称: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
著者Kumar, P, Vahedi-Faridi, A, Saenger, W, Ziegler, A, Uchanska-Ziegler, B.
登録日2007-12-17
公開日2008-12-23
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Conformational changes within the HLA-A1:MAGE-A1 complex induced by binding of a recombinant antibody fragment with TCR-like specificity
Protein Sci., 18, 2009
3H3U
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BU of 3h3u by Molmil
Crystal structure of CRP (cAMP receptor Protein) from Mycobacterium tuberculosis
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN (PROBABLY CRP/FNR-FAMILY), SULFATE ION
著者Kumar, P, Joshi, D.C, Akif, M, Akhter, Y, Hasnain, S.E, Mande, S.C.
登録日2009-04-17
公開日2010-02-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Mapping conformational transitions in cyclic AMP receptor protein: crystal structure and normal-mode analysis of Mycobacterium tuberculosis apo-cAMP receptor protein
Biophys.J., 98, 2010
5UWV
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BU of 5uwv by Molmil
Crystal structure of Mycobacterium abscessus L,D-transpeptidase 2
分子名称: L,D-TRANSPEPTIDASE 2
著者Kumar, P, Ginell, S.L, Lamichhane, G.
登録日2017-02-21
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Mycobacterium abscessus l,d-Transpeptidases Are Susceptible to Inactivation by Carbapenems and Cephalosporins but Not Penicillins.
Antimicrob. Agents Chemother., 61, 2017
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2024-11-13
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2024-11-20
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2024-11-06
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2025-04-30
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

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