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6BGY
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BU of 6bgy by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(1-methylpyrrolidin-2-yl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound 46)
分子名称: 1,2-ETHANEDIOL, 2-[(S)-(2-chlorophenyl){2-[(2R)-1-methylpyrrolidin-2-yl]ethoxy}methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Horton, J.R, Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BH1
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BU of 6bh1 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR (S)-2-((2-chlorophenyl)(2-(piperidin-1-yl)ethoxy)methyl)-1l2-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N52)
分子名称: 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Horton, J.R, Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.932 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
3SR3
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BU of 3sr3 by Molmil
Crystal structure of the w180a mutant of microcin immunity protein mccf from Bacillus anthracis shows the active site loop in the open conformation.
分子名称: Microcin immunity protein MccF
著者Nocek, B, Zhou, M, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-07-06
公開日2011-08-10
最終更新日2013-01-09
実験手法X-RAY DIFFRACTION (1.495 Å)
主引用文献Structural and functional characterization of microcin C resistance peptidase MccF from Bacillus anthracis.
J.Mol.Biol., 420, 2012
5JHU
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BU of 5jhu by Molmil
Potent, Reversible MetAP2 Inhibitors via FBDD
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, MANGANESE (II) ION, ...
著者Dougan, D.R.
登録日2016-04-21
公開日2016-05-25
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of potent, reversible MetAP2 inhibitors via fragment based drug discovery and structure based drug design-Part 1.
Bioorg.Med.Chem.Lett., 26, 2016
6BH0
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BU of 6bh0 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR (R)-2-((2-chlorophenyl)(2-(piperidin-1-yl)ethoxy)methyl)-1l2-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N51)
分子名称: 2-{(R)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, Lysine-specific demethylase 5A, ...
著者Horton, J.R, Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.985 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BGZ
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BU of 6bgz by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(1-methyl-1H-imidazol-2-yl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N47)
分子名称: 2-{(S)-(2-chlorophenyl)[2-(1-methyl-1H-imidazol-2-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, Lysine-specific demethylase 5A, ...
著者Horton, J.R, Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.688 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BGU
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BU of 6bgu by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(propoxy)methyl)-1H-pyrrolo[3,2-b]pyridine (Compound N9)
分子名称: 1,2-ETHANEDIOL, 2-[(R)-(2-chlorophenyl)(propoxy)methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Horton, J.R, Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.684 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BH2
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BU of 6bh2 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR (R)-N-(1-(3-isopropyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl)cyclopropanecarboxamide (Compound N54)
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Lysine-specific demethylase 5A, ...
著者Horton, J.R, Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.447 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
5JI6
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BU of 5ji6 by Molmil
Potent, Reversible MetAP2 Inhibitors via FBDD
分子名称: 4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1H-indazole, MANGANESE (II) ION, Methionine aminopeptidase 2, ...
著者Dougan, D.R, Lawson, J.D.
登録日2016-04-21
公開日2016-05-25
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of potent, reversible MetAP2 inhibitors via fragment based drug discovery and structure based drug design-Part 1.
Bioorg.Med.Chem.Lett., 26, 2016
6BGV
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BU of 6bgv by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(piperidin-1-yl)ethoxy)methyl)-1l2-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N40)
分子名称: 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Horton, J.R, Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.592 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BH5
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BU of 6bh5 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(3-(piperidin-1-yl)propoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N48)
分子名称: 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[3-(piperidin-1-yl)propoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.651 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6C68
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BU of 6c68 by Molmil
MHC-independent t cell receptor A11
分子名称: T-cell receptor alpha chain, T-cell receptor beta chain
著者Lu, J, Van Laethem, F, Saba, I, Chu, J, Bhattacharya, A, Love, N.C, Tikhonova, A, Radaev, S, Sun, X, Ko, A, Arnon, T, Shifrut, E, Friedman, N, Weng, N, Singer, A, Sun, P.D.
登録日2018-01-18
公開日2019-01-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structure of MHC-Independent TCRs and Their Recognition of Native Antigen CD155.
J Immunol., 204, 2020
3U1B
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BU of 3u1b by Molmil
Crystal structure of the S238R mutant of mycrocine immunity protein (MccF) with AMP
分子名称: ADENOSINE MONOPHOSPHATE, Microcin immunity protein MccF
著者Nocek, B, Gu, M, Zhou, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-09-29
公開日2011-11-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.604 Å)
主引用文献Structural and Functional Characterization of Microcin C Resistance Peptidase MccF from Bacillus anthracis.
J.Mol.Biol., 420, 2012
3TYX
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BU of 3tyx by Molmil
Crystal structure of the F177S mutant of mycrocine immunity protein (MccF) with AMP
分子名称: ADENOSINE MONOPHOSPHATE, Microcin immunity protein MccF
著者Nocek, B, Gu, M, Zhou, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-09-26
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structural and Functional Characterization of Microcin C Resistance Peptidase MccF from Bacillus anthracis.
J.Mol.Biol., 420, 2012
7OSL
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BU of 7osl by Molmil
Cryo-EM structure of nonameric EPEC SctV-C
分子名称: Translocator EscV
著者Fahrenkamp, D, Wald, J, Yuan, B, Marlovits, T.C.
登録日2021-06-09
公開日2021-09-29
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural Dynamics of the Functional Nonameric Type III Translocase Export Gate.
J.Mol.Biol., 433, 2021
6HHX
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BU of 6hhx by Molmil
Structure of T. thermophilus AspRS in Complex with 5'-O-(N-(L-aspartyl)-sulfamoyl)cytidine
分子名称: 5'-O-(N-(L-aspartyl)-sulfamoyl)cytidine, Aspartate--tRNA(Asp) ligase
著者De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D.
登録日2018-08-29
公開日2019-12-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
6HHV
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BU of 6hhv by Molmil
Structure of T. thermophilus AspRS in Complex with 5'-O-(N-(L-aspartyl)-sulfamoyl)N3-methyluridine
分子名称: 5'-O-(N-(L-aspartyl)-sulfamoyl)N3-methyluridine, Aspartate--tRNA(Asp) ligase
著者De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D.
登録日2018-08-29
公開日2019-12-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
6HHY
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BU of 6hhy by Molmil
Klebsiella pneumoniae Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine
分子名称: 1,2-ETHANEDIOL, 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine, CALCIUM ION, ...
著者Pang, L, De Graef, S, Weeks, S.D, Strelkov, S.V.
登録日2018-08-29
公開日2019-12-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
6HDZ
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BU of 6hdz by Molmil
Pseudomonas aeruginosa Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-Sulfamoyl)uridine
分子名称: 1,2-ETHANEDIOL, 5'-O-(N-(L-seryl)-Sulfamoyl)uridine, SODIUM ION, ...
著者Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D.
登録日2018-08-20
公開日2019-12-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
6HHZ
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BU of 6hhz by Molmil
Klebsiella pneumoniae Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)cytidine
分子名称: 1,2-ETHANEDIOL, 5'-O-(N-(L-seryl)-sulfamoyl)cytidine, CALCIUM ION, ...
著者Pang, L, De Graef, S, Weeks, S.D, Strelkov, S.V.
登録日2018-08-29
公開日2019-12-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
6HI0
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BU of 6hi0 by Molmil
Klebsiella pneumoniae Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-Sulfamoyl)uridine
分子名称: 1,2-ETHANEDIOL, 5'-O-(N-(L-seryl)-Sulfamoyl)uridine, CALCIUM ION, ...
著者Pang, L, De Graef, S, Weeks, S.D, Strelkov, S.V.
登録日2018-08-29
公開日2019-12-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
5ISL
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BU of 5isl by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor C49 (2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid)
分子名称: 1,2-ETHANEDIOL, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2016-03-15
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.694 Å)
主引用文献Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5IVB
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BU of 5ivb by Molmil
A High Resolution Structure of a Linked KDM5A Jmj Domain with Alpha-Ketoglutarate
分子名称: 2-OXOGLUTARIC ACID, GLYCEROL, Lysine-specific demethylase 5A,Lysine-specific demethylase 5A, ...
著者Horton, J.R, Cheng, X.
登録日2016-03-20
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.389 Å)
主引用文献Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5IVC
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BU of 5ivc by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor N3 (4'-[(2-phenylethyl)carbamoyl][2,2'-bipyridine]-4-carboxylic acid)
分子名称: 1,2-ETHANEDIOL, 4'-[(2-phenylethyl)carbamoyl][2,2'-bipyridine]-4-carboxylic acid, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2016-03-20
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.573 Å)
主引用文献Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5IWF
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BU of 5iwf by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor 2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-oxoethyl)amino)methyl)isonicotinamid
分子名称: 2-[[[2-[2-(dimethylamino)ethyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]methyl]pyridine-4-carboxamide, Lysine-specific demethylase 5A,Lysine-specific demethylase 5A, MANGANESE (II) ION
著者Horton, J.R, Cheng, X.
登録日2016-03-22
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.289 Å)
主引用文献Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016

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