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5YZ3
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BU of 5yz3 by Molmil
Crystal structure of T2R-TTL-28 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Yu, Y, Chen, Q.
登録日2017-12-12
公開日2018-10-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.545 Å)
主引用文献A Novel Microtubule Inhibitor Overcomes Multidrug Resistance in Tumors.
Cancer Res., 78, 2018
6P1L
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BU of 6p1l by Molmil
Crystal structure of EGFR in complex with EAI045
分子名称: (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ...
著者Heppner, D.E, Eck, M.J.
登録日2019-05-20
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery and Optimization of Dibenzodiazepinones as Allosteric Mutant-Selective EGFR Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6P1D
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BU of 6p1d by Molmil
Crystal structure of EGFR with mutant-selective dihydrodibenzodiazepinone allosteric inhibitor
分子名称: 10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one, Epidermal growth factor receptor, MAGNESIUM ION, ...
著者Heppner, D.E, Eck, M.J.
登録日2019-05-19
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery and Optimization of Dibenzodiazepinones as Allosteric Mutant-Selective EGFR Inhibitors.
Acs Med.Chem.Lett., 10, 2019
8JZN
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BU of 8jzn by Molmil
Structure of a fungal 1,3-beta-glucan synthase
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1,3-beta-glucan synthase component FKS1, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhao, C, You, Z, Chen, D, Hang, J, Wang, Z, Meng, J, Wang, L, Zhao, P, Qiao, J, Yun, C, Bai, L.
登録日2023-07-05
公開日2023-10-04
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (2.47 Å)
主引用文献Structure of a fungal 1,3-beta-glucan synthase.
Sci Adv, 9, 2023
7LUB
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BU of 7lub by Molmil
Crystal structure of recombinant human fumarase in complex with D-2-amino-3-phosphono-propionic acid
分子名称: D-2-AMINO-3-PHOSPHONO-PROPIONIC ACID, Fumarate hydratase, mitochondrial, ...
著者Cardoso, I.A, Nonato, M.C.
登録日2021-02-21
公開日2022-02-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Protein-metabolite interactomics of carbohydrate metabolism reveal regulation of lactate dehydrogenase.
Science, 379, 2023
7MBH
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BU of 7mbh by Molmil
Structure of Human Enolase 2 in complex with phosphoserine
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Gamma-enolase, ...
著者Leonard, P.G, Hicks, K.G, Rutter, J.
登録日2021-03-31
公開日2022-11-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Protein-metabolite interactomics of carbohydrate metabolism reveal regulation of lactate dehydrogenase.
Science, 379, 2023
6L5R
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BU of 6l5r by Molmil
crystal structure of GgCGT in complex with UDP-Glu
分子名称: 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-1-ONE, GgCGT, URIDINE-5'-DIPHOSPHATE
著者Zhang, M, Li, F.D, Ye, M.
登録日2019-10-24
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Functional Characterization and Structural Basis of an Efficient Di-C-glycosyltransferase fromGlycyrrhiza glabra.
J.Am.Chem.Soc., 142, 2020
6L5P
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BU of 6l5p by Molmil
crystal structure of GgCGT in complex with UDP-Glu
分子名称: GgCGT, URIDINE-5'-DIPHOSPHATE-GLUCOSE
著者Zhang, M, Li, F.D, Ye, M.
登録日2019-10-24
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.603 Å)
主引用文献Functional Characterization and Structural Basis of an Efficient Di-C-glycosyltransferase fromGlycyrrhiza glabra.
J.Am.Chem.Soc., 142, 2020
6L5S
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BU of 6l5s by Molmil
crystal structure of GgCGT in complex with UDP-Glu
分子名称: 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-1-ONE, GLYCEROL, GgCGT, ...
著者Zhang, M, Li, F.D, Ye, M.
登録日2019-10-24
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.914 Å)
主引用文献Functional Characterization and Structural Basis of an Efficient Di-C-glycosyltransferase fromGlycyrrhiza glabra.
J.Am.Chem.Soc., 142, 2020
6L5Q
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BU of 6l5q by Molmil
crystal structure of GgCGT in complex with UDP-Gal
分子名称: GALACTOSE-URIDINE-5'-DIPHOSPHATE, GgCGT
著者Zhang, M, Li, F.D, Ye, M.
登録日2019-10-24
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.894 Å)
主引用文献Functional Characterization and Structural Basis of an Efficient Di-C-glycosyltransferase fromGlycyrrhiza glabra.
J.Am.Chem.Soc., 142, 2020
6L7H
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BU of 6l7h by Molmil
crystal structure of GgCGT in complex with UDP and Nothofagin
分子名称: 1-[3-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2,4,6-tris(oxidanyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one, GgCGT1, URIDINE-5'-DIPHOSPHATE
著者Zhang, M, Li, F.D, Ye, M.
登録日2019-11-01
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Functional Characterization and Structural Basis of an Efficient Di-C-glycosyltransferase fromGlycyrrhiza glabra.
J.Am.Chem.Soc., 142, 2020
4FXB
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BU of 4fxb by Molmil
Crystal structure of CYP105N1 from Streptomyces coelicolor: a cytochrome P450 oxidase in the coelibactin siderophore biosynthetic pathway
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450
著者Hong, M.K, Lim, Y.R, Kim, J.K, Kim, D.H, Kang, L.W.
登録日2012-07-03
公開日2012-11-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of cytochrome P450 CYP105N1 from Streptomyces coelicolor, an oxidase in the coelibactin siderophore biosynthetic pathway
Arch.Biochem.Biophys., 528, 2012
4IM2
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BU of 4im2 by Molmil
Structure of Tank-Binding Kinase 1
分子名称: CHLORIDE ION, N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1
著者Tu, D, Eck, M.J.
登録日2013-01-01
公開日2013-03-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5001 Å)
主引用文献Structure and ubiquitination-dependent activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
4IM0
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BU of 4im0 by Molmil
Structure of Tank-Binding Kinase 1
分子名称: N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide, Serine/threonine-protein kinase TBK1
著者Tu, D, Eck, M.J.
登録日2013-01-01
公開日2013-03-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4001 Å)
主引用文献Structure and ubiquitination-dependent activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
4IM3
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BU of 4im3 by Molmil
Structure of Tank-Binding Kinase 1
分子名称: CHLORIDE ION, MERCURY (II) ION, N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, ...
著者Tu, D, Eck, M.J.
登録日2013-01-01
公開日2013-03-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.342 Å)
主引用文献Structure and ubiquitination-dependent activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
3IKA
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BU of 3ika by Molmil
Crystal Structure of EGFR 696-1022 T790M Mutant Covalently Binding to WZ4002
分子名称: Epidermal growth factor receptor, N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
著者Yun, C.-H, Eck, M.J.
登録日2009-08-05
公開日2010-01-12
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Novel mutant-selective EGFR kinase inhibitors against EGFR T790M.
Nature, 462, 2009
4QQC
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BU of 4qqc by Molmil
Crystal Structure of FGF Receptor (FGFR) 4 Kinase Domain in Complex with FIIN-2, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR Kinase Gate-Keeper Mutations
分子名称: Fibroblast growth factor receptor 4, N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide, SULFATE ION
著者Huang, Z, Mohammadi, M.
登録日2014-06-27
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014
4R6V
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BU of 4r6v by Molmil
Crystal Structure of FGF Receptor (FGFR) 4 Kinase Harboring the V550L Gate-Keeper Mutation in Complex with FIIN-3, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR kinase Gate-Keeper Mutations
分子名称: Fibroblast growth factor receptor 4, N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide, SULFATE ION
著者Huang, Z, Mohammadi, M.
登録日2014-08-26
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.353 Å)
主引用文献Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014
8K3U
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BU of 8k3u by Molmil
S. cerevisiae Chs1 in complex with UDP and GlcNAc
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitin synthase 1, ...
著者Bai, L, Chen, D.
登録日2023-07-17
公開日2023-09-06
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献Structure, catalysis, chitin transport, and selective inhibition of chitin synthase.
Nat Commun, 14, 2023
8K3P
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BU of 8k3p by Molmil
S. cerevisiae Chs1 in complex with polyoxin B
分子名称: (2S)-2-[[(2S,3S,4S)-5-aminocarbonyloxy-2-azanyl-3,4-bis(oxidanyl)pentanoyl]amino]-2-[(2R,3S,4R,5R)-5-[5-(hydroxymethyl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]ethanoic acid, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Chitin synthase 1
著者Bai, L, Chen, D.D.
登録日2023-07-16
公開日2023-10-18
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Structure, catalysis, chitin transport, and selective inhibition of chitin synthase.
Nat Commun, 14, 2023
8K3X
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BU of 8k3x by Molmil
S. cerevisiae Chs1 in complex with Nikkomycin Z
分子名称: (2S)-{[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino}[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid (non-preferred name), Chitin synthase 1
著者Bai, L, Chen, D.
登録日2023-07-17
公開日2023-10-18
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (2.86 Å)
主引用文献Structure, catalysis, chitin transport, and selective inhibition of chitin synthase.
Nat Commun, 14, 2023
8K3W
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BU of 8k3w by Molmil
S. cerevisiae Chs1 in complex with UDP-GlcNAc and GlcNAc
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Chitin synthase 1, MAGNESIUM ION, ...
著者Bai, L, Chen, D.
登録日2023-07-17
公開日2023-10-18
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (2.91 Å)
主引用文献Structure, catalysis, chitin transport, and selective inhibition of chitin synthase.
Nat Commun, 14, 2023
8K3T
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BU of 8k3t by Molmil
S. cerevisiae Chs1 in complex with UDP
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Chitin synthase 1, MAGNESIUM ION, ...
著者Bai, L, Chen, D.
登録日2023-07-17
公開日2023-10-18
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.57 Å)
主引用文献Structure, catalysis, chitin transport, and selective inhibition of chitin synthase.
Nat Commun, 14, 2023
8K3Q
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BU of 8k3q by Molmil
S. cerevisiae Chs1 in apo state
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Chitin synthase 1
著者Bai, L, Chen, D.
登録日2023-07-16
公開日2023-10-18
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structure, catalysis, chitin transport, and selective inhibition of chitin synthase.
Nat Commun, 14, 2023
8K3V
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BU of 8k3v by Molmil
S. cerevisiae Chs1 in complex with UDP-GlcNAc
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Chitin synthase 1, MAGNESIUM ION, ...
著者Bai, L, Chen, D.
登録日2023-07-17
公開日2023-10-18
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure, catalysis, chitin transport, and selective inhibition of chitin synthase.
Nat Commun, 14, 2023

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