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6MA1
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BU of 6ma1 by Molmil
Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor 4a
分子名称: Host Cell Factor 1 peptide, N-[(2R)-2-{[(7-chloro-2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}-2-(2-methoxyphenyl)acetyl]-N-[(thiophen-2-yl)methyl]glycine, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit
著者Martin, S.E.S, Lazarus, M.B, Walker, S.
登録日2018-08-25
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors.
J. Am. Chem. Soc., 140, 2018
4P31
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BU of 4p31 by Molmil
Crystal structure of a selenomethionine derivative of E. coli LptB in complex with ADP-Magensium
分子名称: ADENOSINE-5'-DIPHOSPHATE, Lipopolysaccharide export system ATP-binding protein LptB, MAGNESIUM ION
著者Sherman, D.J, Lazarus, M.B, Murphy, L, Liu, C, Walker, S, Ruiz, N, Kahne, D.
登録日2014-03-05
公開日2014-03-26
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Decoupling catalytic activity from biological function of the ATPase that powers lipopolysaccharide transport.
Proc.Natl.Acad.Sci.USA, 111, 2014
4P32
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BU of 4p32 by Molmil
Crystal structure of E. coli LptB in complex with ADP-magnesium
分子名称: ADENOSINE-5'-DIPHOSPHATE, Lipopolysaccharide export system ATP-binding protein LptB, MAGNESIUM ION
著者Sherman, D.J, Lazarus, M.B, Murphy, L, Liu, C, Walker, S, Ruiz, N, Kahne, D.
登録日2014-03-05
公開日2014-03-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Decoupling catalytic activity from biological function of the ATPase that powers lipopolysaccharide transport.
Proc.Natl.Acad.Sci.USA, 111, 2014
4P33
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BU of 4p33 by Molmil
Crystal structure of E. coli LptB-E163Q in complex with ATP-sodium
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, Lipopolysaccharide export system ATP-binding protein LptB, ...
著者Sherman, D.J, Lazarus, M.B, Murphy, L, Liu, C, Walker, S, Ruiz, N, Kahne, D.
登録日2014-03-05
公開日2014-03-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Decoupling catalytic activity from biological function of the ATPase that powers lipopolysaccharide transport.
Proc.Natl.Acad.Sci.USA, 111, 2014
6U5L
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BU of 6u5l by Molmil
Structure of human ULK4 in complex with an inhibitor
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, N~2~-(1H-benzimidazol-6-yl)-N~4~-(5-cyclobutyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine, ...
著者Khamrui, S, Lazarus, M.B.
登録日2019-08-28
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献High-Resolution Structure and Inhibition of the Schizophrenia-Linked Pseudokinase ULK4.
J.Am.Chem.Soc., 142, 2020
6U3J
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BU of 6u3j by Molmil
Structure of the 2-oxoadipate dehydrogenase DHTKD1
分子名称: 2-oxoglutarate dehydrogenase E1 component DHKTD1, mitochondrial, MAGNESIUM ION, ...
著者Khamrui, S, Lazarus, M.B.
登録日2019-08-21
公開日2020-07-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Inhibition and Crystal Structure of the Human DHTKD1-Thiamin Diphosphate Complex.
Acs Chem.Biol., 15, 2020
6UWY
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BU of 6uwy by Molmil
DYRK1A bound to a harmine derivative
分子名称: 4-(7-methoxy-1-methyl-9H-beta-carbolin-9-yl)butanamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, TETRAETHYLENE GLYCOL
著者Khamrui, S, Lazarus, M.B.
登録日2019-11-05
公開日2020-02-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Synthesis and Biological Validation of a Harmine-Based, Central Nervous System (CNS)-Avoidant, Selective, Human beta-Cell Regenerative Dual-Specificity Tyrosine Phosphorylation-Regulated Kinase A (DYRK1A) Inhibitor.
J.Med.Chem., 63, 2020
6P26
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BU of 6p26 by Molmil
Escherichia coli tRNA synthetase in complex with compound 1
分子名称: N-benzyl-2-(cyclohex-1-en-1-yl)ethan-1-amine, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
著者Kahne, D, Baidin, V, Owens, T.W.
登録日2019-05-21
公開日2020-11-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献Simple Secondary Amines Inhibit Growth of Gram-Negative Bacteria through Highly Selective Binding to Phenylalanyl-tRNA Synthetase.
J.Am.Chem.Soc., 143, 2021
6P24
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BU of 6p24 by Molmil
Escherichia coli tRNA synthetase
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Kahne, D, Baidin, V, Owens, T.W.
登録日2019-05-20
公開日2020-11-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Simple Secondary Amines Inhibit Growth of Gram-Negative Bacteria through Highly Selective Binding to Phenylalanyl-tRNA Synthetase.
J.Am.Chem.Soc., 143, 2021
6OZ5
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BU of 6oz5 by Molmil
Escherichia coli tRNA synthetase in complex with compound 3
分子名称: 1,2-ETHANEDIOL, 2-({[(2S)-1-cyclohexylpropan-2-yl]amino}methyl)phenol, DI(HYDROXYETHYL)ETHER, ...
著者Kahne, D, Baidin, V, Owens, T.W.
登録日2019-05-15
公開日2020-11-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Simple Secondary Amines Inhibit Growth of Gram-Negative Bacteria through Highly Selective Binding to Phenylalanyl-tRNA Synthetase.
J.Am.Chem.Soc., 143, 2021
6P8T
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BU of 6p8t by Molmil
Acinetobacter baumannii tRNA synthetase in complex with compound 1
分子名称: MAGNESIUM ION, N-benzyl-2-(cyclohex-1-en-1-yl)ethan-1-amine, Phenylalanine--tRNA ligase alpha subunit, ...
著者Kahne, D, Baidin, V, Owens, T.W.
登録日2019-06-07
公開日2020-11-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Simple Secondary Amines Inhibit Growth of Gram-Negative Bacteria through Highly Selective Binding to Phenylalanyl-tRNA Synthetase.
J.Am.Chem.Soc., 143, 2021
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