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5GVM
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BU of 5gvm by Molmil
Plasmodium vivax SHMT bound with PLP-glycine and GS557
分子名称: 2-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]ethanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G.
登録日2016-09-06
公開日2017-07-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures
J. Med. Chem., 60, 2017
5GVK
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BU of 5gvk by Molmil
Plasmodium vivax SHMT bound with PLP-glycine and GS256
分子名称: 5-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-cyano-phenyl]-~{N},~{N}-dimethyl-thiophene-2-sulfonamide, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G.
登録日2016-09-06
公開日2017-07-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures
J. Med. Chem., 60, 2017
6JKI
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BU of 6jki by Molmil
Crystal structure and catalytic mechanism of the essential m1G37 tRNA methyltransferase TrmD from Pseudomonas aeruginosa
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, MANGANESE (II) ION, ...
著者Jaroensuk, J, Liew, C.W, Atichartpongkul, S, Chionh, Y.H, Wong, Y.H, Zhong, W.H, McBee, M.E, Thongdee, N, Prestwich, E.G, DeMott, M.S, Mongkolsuk, S, Dedon, P.C, Lescar, J, Fuangthong, M.
登録日2019-03-01
公開日2019-07-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Crystal structure and catalytic mechanism of the essential m1G37 tRNA methyltransferase TrmD fromPseudomonas aeruginosa.
Rna, 25, 2019
4OYT
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BU of 4oyt by Molmil
Crystal structure of ternary complex of Plasmodium vivax SHMT with D-serine and folinic acid
分子名称: (2R)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-oxidanyl-propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ...
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U.
登録日2014-02-13
公開日2014-12-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of Plasmodium vivax serine hydroxymethyltransferase: implications for ligand-binding specificity and functional control.
Acta Crystallogr.,Sect.D, 70, 2014
7OQ6
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BU of 7oq6 by Molmil
Crystal structure of cytochrome P450 Sas16 from Streptomyces asterosporus
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, THIOCYANATE ION
著者Zhang, L, Zhang, S, Bechthold, A, Einsle, O.
登録日2021-06-02
公開日2022-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献P450-mediated dehydrotyrosine formation during WS9326 biosynthesis proceeds via dehydrogenation of a specific acylated dipeptide substrate.
Acta Pharm Sin B, 13, 2023
4PFN
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BU of 4pfn by Molmil
Crystal structure of Plasmodium vivax SHMT with L-serine Schiff base
分子名称: CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, SERINE, ...
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U.
登録日2014-04-30
公開日2014-12-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of Plasmodium vivax serine hydroxymethyltransferase: implications for ligand-binding specificity and functional control.
Acta Crystallogr.,Sect.D, 70, 2014
4PFF
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BU of 4pff by Molmil
Crystal structure of Plasmodium vivax SHMT with PLP Schiff base
分子名称: PYRIDOXAL-5'-PHOSPHATE, Serine hydroxymethyltransferase, putative
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U.
登録日2014-04-29
公開日2014-12-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of Plasmodium vivax serine hydroxymethyltransferase: implications for ligand-binding specificity and functional control.
Acta Crystallogr.,Sect.D, 70, 2014
5W6W
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BU of 5w6w by Molmil
Designing Higher Resolution Self-Assembled 3D DNA Crystals via Strand Terminus Modifications
分子名称: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*GP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
著者Hernandez, C, Birktoft, J.J, Seeman, N.C.
登録日2017-06-17
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Designing Higher Resolution Self-Assembled 3D DNA Crystals via Strand Terminus Modifications
To Be Published
6N1G
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BU of 6n1g by Molmil
Crystal structure of Aquaglyceroporin AQP7
分子名称: Aquaporin-7, GLYCEROL
著者Vahedi-Faridi, A, Lodowski, D, Kowatz, T.
登録日2018-11-08
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.995 Å)
主引用文献Aquaporin-7: A Dynamic Aquaglyceroporin With Greater Water and Glycerol Permeability Than Its Bacterial Homolog GlpF.
Front Physiol, 11, 2020
5UNI
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BU of 5uni by Molmil
Critical role of water molecules for proton translocation of the membrane-bound transhydrogenase
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BENZAMIDINE, DI(HYDROXYETHYL)ETHER, ...
著者Padayatti, P.S, Leung, J.H.
登録日2017-01-30
公開日2017-05-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Critical Role of Water Molecules in Proton Translocation by the Membrane-Bound Transhydrogenase.
Structure, 25, 2017
6G7O
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BU of 6g7o by Molmil
Crystal structure of human alkaline ceramidase 3 (ACER3) at 2.7 Angstrom resolution
分子名称: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Alkaline ceramidase 3,Soluble cytochrome b562, CALCIUM ION, ...
著者Leyrat, C, Vasiliauskaite-Brooks, I, Healey, R.D, Sounier, R, Grison, C, Hoh, F, Basu, S, Granier, S.
登録日2018-04-06
公開日2019-01-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of a human intramembrane ceramidase explains enzymatic dysfunction found in leukodystrophy.
Nat Commun, 9, 2018
5GVP
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BU of 5gvp by Molmil
Plasmodium vivax SHMT bound with PLP-glycine and GS654
分子名称: 3-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]propanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G.
登録日2016-09-06
公開日2017-07-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures
J. Med. Chem., 60, 2017
5GVN
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BU of 5gvn by Molmil
Plasmodium vivax SHMT bound with PLP-glycine and GS653
分子名称: 3-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]phenyl]propanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G.
登録日2016-09-06
公開日2017-07-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures
J. Med. Chem., 60, 2017
5GVL
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BU of 5gvl by Molmil
Plasmodium vivax SHMT bound with PLP-glycine and GS182
分子名称: (4~{S})-6-azanyl-4-[3-cyano-5-[5-(methoxymethyl)thiophen-2-yl]phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G.
登録日2016-09-06
公開日2017-07-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures
J. Med. Chem., 60, 2017
4O6Z
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BU of 4o6z by Molmil
Crystal structure of serine hydroxymethyltransferase with covalently bound PLP Schiff-base from Plasmodium falciparum
分子名称: PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, Serine hydroxymethyltransferase
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U.
登録日2013-12-24
公開日2014-06-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献The structure of Plasmodium falciparum serine hydroxymethyltransferase reveals a novel redox switch that regulates its activities.
Acta Crystallogr.,Sect.D, 70, 2014
5LX9
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BU of 5lx9 by Molmil
CRYSTAL STRUCTURE OF HUMAN ADIPONECTIN RECEPTOR 2 IN COMPLEX WITH A C18 FREE FATTY ACID AT 2.4 ANGSTROM RESOLUTION
分子名称: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, HUMAN ADIPONECTIN RECEPTOR 2, OLEIC ACID, ...
著者Vasiliauskaite-Brooks, I, Leyrat, C, Hoh, F, Granier, S.
登録日2016-09-20
公開日2017-03-22
最終更新日2017-04-12
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural insights into adiponectin receptors suggest ceramidase activity.
Nature, 6, 2017
3LSM
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BU of 3lsm by Molmil
Pyranose 2-oxidase H167A mutant with flavin N(5) sulfite adduct
分子名称: (S)-10-((2S,3S,4R)-5-((S)-((S)-(((2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHOXY)(HYDROXY)PHOSPHORYLOXY)(HYDROXY)PHOSPHORYLOXY)-2,3,4-TRIHYDROXYPENTYL)-7,8-DIMETHYL-2,4-DIOXO-2,3,4,4A-TETRAHYDROBENZO[G]PTERIDINE-5(10H)-SULFONIC ACID, DODECAETHYLENE GLYCOL, Pyranose 2-oxidase, ...
著者Tan, T.C, Spadiut, O, Divne, C.
登録日2010-02-12
公開日2010-08-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献H-bonding and positive charge at the N5/O4 locus are critical for covalent flavin attachment in trametes pyranose 2-oxidase.
J.Mol.Biol., 402, 2010
5LXG
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BU of 5lxg by Molmil
Revised crystal structure of the human adiponectin receptor 1 in an open conformation
分子名称: Adiponectin receptor protein 1, SULFATE ION, V REGION HEAVY CHAIN, ...
著者Leyrat, C, Vasiliauskaite-Brooks, I, Granier, S.
登録日2016-09-21
公開日2017-03-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Structural insights into adiponectin receptors suggest ceramidase activity.
Nature, 6, 2017
3LSK
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BU of 3lsk by Molmil
Pyranose 2-oxidase T169S acetate complex
分子名称: ACETATE ION, DODECAETHYLENE GLYCOL, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Tan, T.C, Spadiut, O, Divne, C.
登録日2010-02-12
公開日2010-08-25
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献H-bonding and positive charge at the N5/O4 locus are critical for covalent flavin attachment in trametes pyranose 2-oxidase.
J.Mol.Biol., 402, 2010
3LSH
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BU of 3lsh by Molmil
Pyranose 2-oxidase T169A, monoclinic
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Pyranose 2-oxidase
著者Divne, C, Tan, T.C, Spadiut, O.
登録日2010-02-12
公開日2010-08-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献H-bonding and positive charge at the N5/O4 locus are critical for covalent flavin attachment in trametes pyranose 2-oxidase.
J.Mol.Biol., 402, 2010
5LXA
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BU of 5lxa by Molmil
CRYSTAL STRUCTURE OF HUMAN ADIPONECTIN RECEPTOR 2 IN COMPLEX WITH A C18 FREE FATTY ACID AT 3.0 ANGSTROM RESOLUTION
分子名称: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adiponectin receptor protein 2, Anti-CD30 moab Ki-4 scFv, ...
著者Vasiliauskaite-Brooks, I, Leyrat, C, Hoh, F, Granier, S.
登録日2016-09-20
公開日2017-03-22
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural insights into adiponectin receptors suggest ceramidase activity.
Nature, 6, 2017
3K4C
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BU of 3k4c by Molmil
Pyranose 2-oxidase H167A/T169G mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, PENTAETHYLENE GLYCOL, ...
著者Divne, C, Tan, T.C.
登録日2009-10-05
公開日2010-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A conserved active-site threonine is important for both sugar and flavin oxidations of pyranose 2-oxidase.
J.Biol.Chem., 285, 2010
3K4B
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BU of 3k4b by Molmil
Pyranose 2-oxidase T169S mutant
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Pyranose 2-oxidase
著者Divne, C, Tan, T.C.
登録日2009-10-05
公開日2010-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A conserved active-site threonine is important for both sugar and flavin oxidations of pyranose 2-oxidase.
J.Biol.Chem., 285, 2010
5LWY
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BU of 5lwy by Molmil
Revised crystal structure of the human adiponectin receptor 2 in complex with a C18 free fatty acid
分子名称: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adiponectin receptor protein 2, GLYCEROL, ...
著者Leyrat, C, Vasiliauskaite-Brooks, I, Granier, S.
登録日2016-09-19
公開日2017-03-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural insights into adiponectin receptors suggest ceramidase activity.
Nature, 6, 2017
3LSI
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BU of 3lsi by Molmil
Pyranose 2-oxidase T169A, tetragonal
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Pyranose 2-oxidase
著者Tan, T.C, Spadiut, O, Divne, C.
登録日2010-02-12
公開日2010-08-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献H-bonding and positive charge at the N5/O4 locus are critical for covalent flavin attachment in trametes pyranose 2-oxidase.
J.Mol.Biol., 402, 2010

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