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2KH3
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BU of 2kh3 by Molmil
NMR Structure of Aflatoxin Formamidopyrimidine alpha-anomer in duplex DNA
分子名称: 5'-D(*CP*TP*AP*TP*(FAG)P*AP*TP*TP*CP*A)-3', 5'-D(*TP*GP*AP*AP*TP*CP*AP*TP*AP*G)-3'
著者Brown, K.L.
登録日2009-03-24
公開日2009-12-15
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural perturbations induced by the alpha-anomer of the aflatoxin B(1) formamidopyrimidine adduct in duplex and single-strand DNA
J.Am.Chem.Soc., 131, 2009
4FSF
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BU of 4fsf by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 complexed with compound 14
分子名称: (4R,5S,8Z)-8-(2-amino-1,3-thiazol-4-yl)-1-[3-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-1,2-oxazol-5-yl]-5-formyl-11,11-dimethyl-1,7-dioxo-4-(sulfoamino)-10-oxa-2,6,9-triazadodec-8-en-12-oic acid, Penicillin-binding protein 3
著者Han, S.
登録日2012-06-27
公開日2012-10-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Novel monobactams utilizing a siderophore uptake mechanism for the treatment of gram-negative infections.
Bioorg.Med.Chem.Lett., 22, 2012
6BBU
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BU of 6bbu by Molmil
Crystal Structure of JAK1 in complex with compound 25
分子名称: N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide, Tyrosine-protein kinase JAK1
著者Han, S.
登録日2017-10-19
公開日2018-01-17
最終更新日2018-02-21
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases.
J. Med. Chem., 61, 2018
6BBV
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BU of 6bbv by Molmil
Crystal Structure of JAK2 in complex with compound 25
分子名称: N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide, Tyrosine-protein kinase JAK2
著者Han, S.
登録日2017-10-19
公開日2018-01-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases.
J. Med. Chem., 61, 2018
4L0L
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BU of 4l0l by Molmil
Crystal structure of P.aeruginosa PBP3 in complex with compound 4
分子名称: (6R,7S,10Z)-10-(2-amino-1,3-thiazol-4-yl)-1-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-7-formyl-13,13-dimethyl-3,9-dioxo-6-(sulfoamino)-12-oxa-2,4,8,11-tetraazatetradec-10-en-14-oic acid, Penicillin-binding protein 3
著者Han, S, Marr, E.S.
登録日2013-05-31
公開日2013-08-21
最終更新日2014-01-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pyridone-conjugated monobactam antibiotics with gram-negative activity.
J.Med.Chem., 56, 2013
3U1Y
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BU of 3u1y by Molmil
Potent Inhibitors of LpxC for the Treatment of Gram-Negative Infections
分子名称: (2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-{4'-[3-(morpholin-4-yl)propoxy]biphenyl-4-yl}butanamide, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION
著者Brown, M, Abramite, J, Liu, S.
登録日2011-09-30
公開日2012-01-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Potent inhibitors of LpxC for the treatment of Gram-negative infections.
J.Med.Chem., 55, 2012
3UHM
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BU of 3uhm by Molmil
UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase in complex with inhibitor
分子名称: (2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-(2-oxo-4-phenylpyridin-1(2H)-yl)butanamide, 1,2-ETHANEDIOL, GUANIDINE, ...
著者Montgomery, J, Liu, S.
登録日2011-11-03
公開日2012-02-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Pyridone methylsulfone hydroxamate LpxC inhibitors for the treatment of serious gram-negative infections.
J.Med.Chem., 55, 2012
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