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PDB: 273 件
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
5DZJ
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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
5E33
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BU of 5e33 by Molmil
Structure of human DPP3 in complex with met-enkephalin
分子名称: Dipeptidyl peptidase 3, MAGNESIUM ION, Met-enkephalin, ...
著者Kumar, P, Reithofer, V, Reisinger, M, Pavkov-Keller, T, Wallner, S, Macheroux, P, Gruber, K.
登録日2015-10-01
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.837 Å)
主引用文献Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition.
Sci Rep, 6, 2016
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
5E3A
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BU of 5e3a by Molmil
Structure of human DPP3 in complex with opioid peptide leu-enkephalin
分子名称: Dipeptidyl peptidase 3, Leu-enkephalin, MAGNESIUM ION, ...
著者Kumar, P, Reithofer, V, Reisinger, M, Pavkov-Keller, T, Wallner, S, Macheroux, P, Gruber, K.
登録日2015-10-02
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition.
Sci Rep, 6, 2016
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
5E3C
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BU of 5e3c by Molmil
Structure of human DPP3 in complex with hemorphin like opioid peptide IVYPW
分子名称: Dipeptidyl peptidase 3, IVYPW, MAGNESIUM ION, ...
著者Kumar, P, Reithofer, V, Reisinger, M, Pavkov-Keller, T, Wallner, S, Macheroux, P, Gruber, K.
登録日2015-10-02
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.765 Å)
主引用文献Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition.
Sci Rep, 6, 2016
5EGY
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BU of 5egy by Molmil
Structure of ligand free human DPP3 in closed form.
分子名称: Dipeptidyl peptidase 3, MAGNESIUM ION, ZINC ION
著者Kumar, P, Reithofer, V, Reisinger, M, Pavkov-Keller, T, Wallner, S, Macheroux, P, Gruber, K.
登録日2015-10-27
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.741 Å)
主引用文献Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition.
Sci Rep, 6, 2016
5EHH
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BU of 5ehh by Molmil
Structure of human DPP3 in complex with endomorphin-2.
分子名称: Dipeptidyl peptidase 3, Endomorphin-2, MAGNESIUM ION, ...
著者Kumar, P, Reithofer, V, Reisinger, M, Pavkov-Keller, T, Wallner, S, Macheroux, P, Gruber, K.
登録日2015-10-28
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition.
Sci Rep, 6, 2016
5E1I
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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
8UJG
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BU of 8ujg by Molmil
X-ray crystal structure of Toxoplasma gondii GalNAc-T3 in complex with UDP-GalNAc, Mn2+, and the mono-glycopeptide Srs13.2
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Kumar, P, Samara, N.L.
登録日2023-10-11
公開日2024-05-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献A Toxoplasma gondii O-glycosyltransferase that modulates bradyzoite cyst wall rigidity is distinct from host homologues.
Nat Commun, 15, 2024
8UHZ
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BU of 8uhz by Molmil
X-ray crystal structure of Toxoplasma gondii GalNAc-T3 in complex with Mn2+
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Glycosyl transferase, ...
著者Kumar, P, Samara, N.L.
登録日2023-10-09
公開日2024-05-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献A Toxoplasma gondii O-glycosyltransferase that modulates bradyzoite cyst wall rigidity is distinct from host homologues.
Nat Commun, 15, 2024
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
7L6U
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BU of 7l6u by Molmil
Unliganded ELIC in POPC-only nanodiscs at 3.3-Angstrom resolution
分子名称: Gamma-aminobutyric-acid receptor subunit beta-1
著者Kumar, P, Grosman, C.
登録日2020-12-23
公開日2021-06-23
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure and function at the lipid-protein interface of a pentameric ligand-gated ion channel.
Proc.Natl.Acad.Sci.USA, 118, 2021
4DB5
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BU of 4db5 by Molmil
Crystal structure of Rabbit GITRL
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tumor necrosis factor ligand superfamily member 18
著者Kumar, P.R, Bhosle, R, Gizzi, A, Scott Glenn, A, Chowhury, S, Hillerich, B, Seidel, R, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN)
登録日2012-01-13
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.522 Å)
主引用文献Crystal structure of GITRL from Oryctolagus cuniculus
to be published
4E4U
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BU of 4e4u by Molmil
Crystal structure of a putative Mandelate racemase/Muconate lactonizing enzyme (Target PSI-200780) from Burkholderia SAR-1
分子名称: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, Mandalate racemase/muconate lactonizing enzyme
著者Kumar, P.R, Bonanno, J, Chowdhury, S, Foti, R, Gizzi, A, Hammonds, J, Hillerich, B, Matikainen, B, Seidel, R, Toro, R, Zencheck, W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-03-13
公開日2012-04-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal structure of a putative MR/ML enzyme from Burkholderia SAR-1
to be published
3LQU
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BU of 3lqu by Molmil
Crystal structure of 3,4-Dihydroxy-2-butanone 4-phosphate synthase complexed with Ribulose-5 phosphate
分子名称: 3,4-dihydroxy-2-butanone 4-phosphate synthase, 5-O-phosphono-D-xylulose
著者Kumar, P, Karthikeyan, S.
登録日2010-02-10
公開日2010-09-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.522 Å)
主引用文献Potential anti-bacterial drug target: structural characterization of 3,4-dihydroxy-2-butanone-4-phosphate synthase from Salmonella typhimurium LT2.
Proteins, 78, 2010
3GZY
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BU of 3gzy by Molmil
Crystal Structure of the Biphenyl Dioxygenase from Comamonas testosteroni Sp. Strain B-356
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Biphenyl dioxygenase subunit alpha, Biphenyl dioxygenase subunit beta, ...
著者Kumar, P, Colbert, C.L, Bolin, J.T.
登録日2009-04-08
公開日2010-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structural Characterization of Pandoraea pnomenusa B-356 Biphenyl Dioxygenase Reveals Features of Potent Polychlorinated Biphenyl-Degrading Enzymes
Plos One, 8, 2013
3LRJ
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BU of 3lrj by Molmil
Crystal structure of 3,4-Dihydroxy-2-butanone 4-phosphate synthase in complex with sulfate ion.
分子名称: 3,4-Dihydroxy-2-butanone 4-phosphate synthase, SULFATE ION
著者Kumar, P, Karthikeyan, S.
登録日2010-02-11
公開日2010-09-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.803 Å)
主引用文献Potential anti-bacterial drug target: structural characterization of 3,4-dihydroxy-2-butanone-4-phosphate synthase from Salmonella typhimurium LT2.
Proteins, 78, 2010
5E2Q
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BU of 5e2q by Molmil
Structure of human DPP3 in complex with angiotensin-II
分子名称: Dipeptidyl peptidase 3, MAGNESIUM ION, POTASSIUM ION, ...
著者Kumar, P, Reisinger, M, Reithofer, V, Gruber, K.
登録日2015-10-01
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.404 Å)
主引用文献Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition.
Sci Rep, 6, 2016
3GZX
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BU of 3gzx by Molmil
Crystal Structure of the Biphenyl Dioxygenase in complex with Biphenyl from Comamonas testosteroni Sp. Strain B-356
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BIPHENYL, Biphenyl dioxygenase subunit alpha, ...
著者Kumar, P, Colbert, C.L, Bolin, J.T.
登録日2009-04-08
公開日2010-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural Characterization of Pandoraea pnomenusa B-356 Biphenyl Dioxygenase Reveals Features of Potent Polychlorinated Biphenyl-Degrading Enzymes
Plos One, 8, 2013
7F71
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Crystal structure of the Mycobacterium tuberculosis L,D-transpeptidase-2 (LdtMt2) with peptidoglycan sugar moiety and glutamate
分子名称: GLUTAMIC ACID, GLYCEROL, L,D-transpeptidase 2, ...
著者Kumar, P, Lamichhane, G.
登録日2021-06-26
公開日2022-05-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Allosteric cooperation in beta-lactam binding to a non-classical transpeptidase.
Elife, 11, 2022
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
分子名称: (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, ...
著者Kumar, P, Lamichhane, G.
登録日2021-07-02
公開日2022-05-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Allosteric cooperation in beta-lactam binding to a non-classical transpeptidase.
Elife, 11, 2022
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2023-11-01
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
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

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