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5ZE7
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BU of 5ze7 by Molmil
UDP Glucose alpha tetrahydrobiopterin glycosyltransferase from Synechococcus species PCC 7942 - apo form
分子名称: UDP-glucose:tetrahydrobiopterin glucosyltransferase
著者Killivalavan, A, Lee, K.H.
登録日2018-02-27
公開日2019-03-06
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献UDP Glucose alpha tetrahydrobiopterin glycosyltransferase from Synechococcus species PCC 7942 - apo form
To Be Published
5ZES
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BU of 5zes by Molmil
UDP Glucose alpha tetrahydrobiopterin glycosyltransferase from Synechococcus species PCC 7942 - UDP complex
分子名称: GLYCEROL, UDP-glucose:tetrahydrobiopterin glucosyltransferase, URIDINE-5'-DIPHOSPHATE
著者Killivalavan, A, Lee, K.H.
登録日2018-02-27
公開日2019-03-06
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献UDP Glucose alpha tetrahydrobiopterin glycosyltransferase from Synechococcus species PCC 7942 - UDP complex
To Be Published
5ZFK
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BU of 5zfk by Molmil
UDP Glucose alpha tetrahydrobiopterin glycosyltransferase from Synechococcus species PCC 7942 - UDP-BH2 complex
分子名称: 7,8-DIHYDROBIOPTERIN, UDP-glucose:tetrahydrobiopterin glucosyltransferase, URIDINE-5'-DIPHOSPHATE
著者Killivalavan, A, Lee, K.H.
登録日2018-03-06
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献UDP Glucose alpha tetrahydrobiopterin glycosyltransferase from Synechococcus species PCC 7942 - apo form
To Be Published
5ZER
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BU of 5zer by Molmil
UDP Glucose alpha tetrahydrobiopterin glycosyltransferase from Synechococcus species PCC 7942 - BH2 complex form
分子名称: 7,8-DIHYDROBIOPTERIN, GLYCEROL, UDP-glucose:tetrahydrobiopterin glucosyltransferase
著者Killivalavan, A, Lee, K.H.
登録日2018-02-27
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献UDP Glucose alpha tetrahydrobiopterin glycosyltransferase from Synechococcus species PCC 7942 - BH2 complex form
To Be Published
6HUH
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BU of 6huh by Molmil
CRYSTAL STRUCTURE OF OXA-427 class D BETA-LACTAMASE
分子名称: Beta-lactamase, SULFATE ION
著者Zavala, A, Retailleau, P, Bogaerts, P, Glupczynski, Y, Naas, T, Iorga, B.
登録日2018-10-08
公開日2019-10-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献CRYSTAL STRUCTURE OF CMY-OXA-427-HisTag BETA-LACTAMASE
To be published
6I5D
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BU of 6i5d by Molmil
Crystal structure of an OXA-48 beta-lactamase synthetic mutant
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ...
著者Zavala, A, Retailleau, P, Dabos, L, Naas, T, Iorga, B.
登録日2018-11-13
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Substrate specificity of an OXA-48 beta-lactamase synthetic mutant
To be published
6HOO
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BU of 6hoo by Molmil
Crystal Structure of Rationally Designed OXA-48loop18 beta-lactamase
分子名称: Beta-lactamase,OXA-48loop18,Beta-lactamase, FLUORIDE ION, GLYCEROL, ...
著者Zavala, A, Retailleau, P, Dabos, L, Naas, T, Iorga, B.
登録日2018-09-17
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Substrate Specificity of OXA-48 after beta 5-beta 6 Loop Replacement.
Acs Infect Dis., 6, 2020
1JRA
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BU of 1jra by Molmil
Crystal Structure of Erv2p
分子名称: ERV2 PROTEIN, MITOCHONDRIAL, FLAVIN-ADENINE DINUCLEOTIDE
著者Gross, E, Sevier, C.S, Vala, A, Kaiser, C.A, Fass, D.
登録日2001-08-13
公開日2001-12-28
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A new FAD-binding fold and intersubunit disulfide shuttle in the thiol oxidase Erv2p.
Nat.Struct.Biol., 9, 2002
1JR8
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BU of 1jr8 by Molmil
Crystal Structure of Erv2p
分子名称: Erv2 PROTEIN, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE
著者Gross, E, Sevier, C.S, Vala, A, Kaiser, C.A, Fass, D.
登録日2001-08-13
公開日2001-12-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A new FAD-binding fold and intersubunit disulfide shuttle in the thiol oxidase Erv2p.
Nat.Struct.Biol., 9, 2002
6HB8
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BU of 6hb8 by Molmil
Crystal structure of OXA-517 beta-lactamase
分子名称: 1,2-ETHANEDIOL, 2-ETHOXYETHANOL, Beta-lactamase, ...
著者Raczynska, J.E, Dabos, L, Zavala, A, Retailleau, P, Iorga, B, Jaskolski, M, Naas, T.
登録日2018-08-09
公開日2019-08-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Genetic, biochemical and structural characterization of OXA-517, an OXA-48-like extended-spectrum cephalosporins and carbapenems-hydrolyzing beta-lactamase
To Be Published
6WAA
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BU of 6waa by Molmil
K. pneumoniae Topoisomerase IV (ParE-ParC) in complex with DNA and compound 34 (7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one, CHLORIDE ION, ...
著者Noeske, J, Shu, W, Bellamacina, C.
登録日2020-03-24
公開日2020-07-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Topoisomerase Inhibitors Addressing Fluoroquinolone Resistance in Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
5KEJ
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BU of 5kej by Molmil
Crystallographic structure of the Tau class glutathione S-transferase MiGSTU in complex with S-hexyl-glutathione
分子名称: DI(HYDROXYETHYL)ETHER, S-HEXYLGLUTATHIONE, Tau class glutathione S-transferase
著者Valenzuela-Chavira, I, Serrano-Posada, H, Lopez-Zavala, A, Hernandez-Paredes, J, Sotelo-Mundo, R.
登録日2016-06-09
公開日2017-02-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Insights into ligand binding to a glutathione S-transferase from mango: Structure, thermodynamics and kinetics.
Biochimie, 135, 2017
5G5E
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BU of 5g5e by Molmil
Crystallographic structure of the Tau class glutathione S-transferase MiGSTU from mango Mangifera indica L.
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, TAU CLASS GLUTATHIONE S-TRANSFERASE
著者Valenzuela-Chavira, I, Serrano-Posada, H, Lopez-Zavala, A, Hernandez-Paredes, J, Sotelo-Mundo, R.
登録日2016-05-24
公開日2017-02-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Insights Into Ligand Binding to a Glutathione S-Transferase from Mango: Structure, Thermodynamics and Kinetics
Biochimie, 135, 2017
5G5F
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BU of 5g5f by Molmil
Crystallographic structure of the Tau class glutathione S-transferase MiGSTU in complex with reduced glutathione.
分子名称: DI(HYDROXYETHYL)ETHER, GLUTATHIONE, TAU CLASS GLUTATHIONE S-TRANSFERASE
著者Valenzuela-Chavira, I, Serrano-Posada, H, Lopez-Zavala, A, Hernandez-Paredes, J, Sotelo-Mundo, R.
登録日2016-05-24
公開日2017-02-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Insights Into Ligand Binding to a Glutathione S-Transferase from Mango: Structure, Thermodynamics and Kinetics
Biochimie, 135, 2017
8IGI
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BU of 8igi by Molmil
Crystal structure of HP1526 (XthA)- a base excision DNA repair protein in Helicobacter pylori
分子名称: 1,3-BUTANEDIOL, Exodeoxyribonuclease (LexA), MANGANESE (II) ION
著者Dinh, T.T, Dao, O, Lee, K.H.
登録日2023-02-20
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Crystal structure of the apurinic/apyrimidinic endonuclease XthA (HP1526 protein) from Helicobacter pylori.
Biochem.Biophys.Res.Commun., 663, 2023
7UP7
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BU of 7up7 by Molmil
Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound with literature RSK2 inhibitor indazole cyanoacrylamide compound 26 (soak)
分子名称: (2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide, Ribosomal protein S6 kinase alpha-5
著者Yano, J.K, Abendroth, J, Hall, A.
登録日2022-04-14
公開日2022-07-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1.
Acs Med.Chem.Lett., 13, 2022
7UP6
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BU of 7up6 by Molmil
Crystal structure of C-terminal domain of MSK1 in complex with in covalently bound literature RSK2 inhibitor pyrrolopyrimidine cyanoacrylamide compound 25 (co-crystal)
分子名称: (E)-3-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)-2-cyanoacrylamide bound form, OXAMIC ACID, Ribosomal protein S6 kinase alpha-5
著者Yano, J.K, Abendroth, J, Hall, A.
登録日2022-04-14
公開日2022-08-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1.
Acs Med.Chem.Lett., 13, 2022
7UP4
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BU of 7up4 by Molmil
Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound pyrrolopyrimidine compound 20 (co-crystal)
分子名称: (5M)-5-(2,5-dichloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine, Ribosomal protein S6 kinase alpha-5
著者Yano, J.K, Abendroth, J, Hall, A.
登録日2022-04-14
公開日2022-07-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1.
Acs Med.Chem.Lett., 13, 2022
7UP8
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BU of 7up8 by Molmil
Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound pyrrolopyrimidine compound 27 (co-crystal)
分子名称: (5M)-5-(5-bromo-2-chloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine, Ribosomal protein S6 kinase alpha-5
著者Yano, J.K, Abendroth, J, Hall, A.
登録日2022-04-14
公開日2022-07-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1.
Acs Med.Chem.Lett., 13, 2022
7UP5
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BU of 7up5 by Molmil
Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound pyrrolopyrimidine compound 23 (co-crystal)
分子名称: (2M)-6-chloro-2-(5H-pyrrolo[3,2-d]pyrimidin-5-yl)pyridine-3-carbonitrile, IODIDE ION, Ribosomal protein S6 kinase alpha-5
著者Yano, J.K, Edwards, T.E, Hall, A.
登録日2022-04-14
公開日2022-07-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1.
Acs Med.Chem.Lett., 13, 2022

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