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7X05
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CryoEM structure of chitin synthase 1 from Phytophthora sojae complexed with the nascent chitooligosaccharide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitin synthase, MANGANESE (II) ION, ...
著者Chen, W, Cao, P, Gong, Y, Yang, Q.
登録日2022-02-21
公開日2022-09-28
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural basis for directional chitin biosynthesis.
Nature, 610, 2022
7X06
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CryoEM structure of chitin synthase 1 from Phytophthora sojae complexed with UDP
分子名称: Chitin synthase, MAGNESIUM ION, URIDINE-5'-DIPHOSPHATE
著者Chen, W, Cao, P, Gong, Y, Yang, Q.
登録日2022-02-21
公開日2022-09-28
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis for directional chitin biosynthesis.
Nature, 610, 2022
5QHX
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BU of 5qhx by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000278a
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 14, ...
著者Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J.
登録日2018-05-21
公開日2019-04-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
7WJN
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CryoEM structure of chitin synthase 1 mutant E495A from Phytophthora sojae complexed with UDP-GlcNAc
分子名称: Chitin synthase, MANGANESE (II) ION, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
著者Chen, W, Cao, P, Gong, Y, Yang, Q.
登録日2022-01-07
公開日2022-09-28
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis for directional chitin biosynthesis.
Nature, 610, 2022
7WJM
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CryoEM structure of chitin synthase 1 from Phytophthora sojae
分子名称: Chitin synthase
著者Chen, W, Cao, P, Gong, Y, Yang, Q.
登録日2022-01-07
公開日2022-09-28
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis for directional chitin biosynthesis.
Nature, 610, 2022
7WJO
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CryoEM structure of chitin synthase 1 from Phytophthora sojae complexed 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
著者Chen, W, Cao, P, Gong, Y, Yang, Q.
登録日2022-01-07
公開日2022-09-28
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis for directional chitin biosynthesis.
Nature, 610, 2022
7WY3
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Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 F87V Mutant Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with Styrene
分子名称: (2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, CHLORIDE ION, ...
著者Suzuki, K, Stanfield, J.K, Shisaka, Y, Omura, K, Kasai, C, Sugimoto, H, Shoji, O.
登録日2022-02-15
公開日2023-01-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Compound I Mimic Reveals the Transient Active Species of a Cytochrome P450 Enzyme: Insight into the Stereoselectivity of P450-Catalysed Oxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
7WY4
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Structure of the CYP102A1 F87A Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine in complex with Styrene
分子名称: (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, CHLORIDE ION, ...
著者Suzuki, K, Stanfield, J.K, Shisaka, Y, Omura, K, Kasai, C, Sugimoto, H, Shoji, O.
登録日2022-02-15
公開日2023-01-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献A Compound I Mimic Reveals the Transient Active Species of a Cytochrome P450 Enzyme: Insight into the Stereoselectivity of P450-Catalysed Oxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
7WY2
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Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 F87A Mutant Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine in complex with Styrene
分子名称: (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, CHLORIDE ION, ...
著者Suzuki, K, Stanfield, J.K, Shisaka, Y, Omura, K, Kasai, C, Sugimoto, H, Shoji, O.
登録日2022-02-15
公開日2023-01-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献A Compound I Mimic Reveals the Transient Active Species of a Cytochrome P450 Enzyme: Insight into the Stereoselectivity of P450-Catalysed Oxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
7WY1
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BU of 7wy1 by Molmil
Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine in complex with Styerene
分子名称: (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, Oxomolybdenum Mesoporphyrin IX, ...
著者Suzuki, K, Stanfield, J.K, Shisaka, Y, Omura, K, Kasai, C, Sugimoto, H, Shoji, O.
登録日2022-02-15
公開日2023-01-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Compound I Mimic Reveals the Transient Active Species of a Cytochrome P450 Enzyme: Insight into the Stereoselectivity of P450-Catalysed Oxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
3F1A
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BU of 3f1a by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor N-(2-nitroso-2-oxoethyl)benzenesulfonamide
分子名称: CALCIUM ION, Macrophage metalloelastase, N-oxo-2-(phenylsulfonylamino)ethanamide, ...
著者Calderone, V.
登録日2008-10-27
公開日2008-11-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases.
J.Am.Chem.Soc., 129, 2007
3F19
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Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor 4-fluoro-N-(2-nitroso-2-oxoethyl)benzenesulfonamide
分子名称: 2-[(4-fluorophenyl)sulfonylamino]-N-oxo-ethanamide, CALCIUM ION, Macrophage metalloelastase, ...
著者Calderone, V.
登録日2008-10-27
公開日2008-11-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases.
J.Am.Chem.Soc., 129, 2007
7WDE
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BU of 7wde by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87L in complex with N-imidazolyl-hexanoyl-L-phenylalanine, styrene and hydroxylamine
分子名称: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ...
著者Jiang, Y, Dong, S, Feng, Y, Cong, Z.
登録日2021-12-21
公開日2022-12-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine
To Be Published
7WDD
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BU of 7wdd by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87K in complex with N-imidazolyl-hexanoyl-L-phenylalanine, styrene and hydroxylamine
分子名称: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
著者Jiang, Y, Dong, S, Feng, Y, Cong, Z.
登録日2021-12-21
公開日2022-12-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine
To Be Published
7V5G
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BU of 7v5g by Molmil
20S+monoUb-CyclinB1-NT (S1)
分子名称: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
著者Xu, C, Cong, Y.
登録日2021-08-17
公開日2021-09-22
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (4.47 Å)
主引用文献The 20S as a stand-alone proteasome in cells can degrade the ubiquitin tag.
Nat Commun, 12, 2021
7V5M
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20S+monoUb-CyclinB1-NT (S2)
分子名称: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
著者Xu, C, Cong, Y.
登録日2021-08-17
公開日2021-09-22
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.88 Å)
主引用文献The 20S as a stand-alone proteasome in cells can degrade the ubiquitin tag.
Nat Commun, 12, 2021
6O2Y
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BU of 6o2y by Molmil
Crystal structure of IDH1 R132H mutant in complex with compound 24
分子名称: 4-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile, BETA-MERCAPTOETHANOL, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
著者Toms, A.V, Lin, J.
登録日2019-02-25
公開日2019-06-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery and Optimization of Quinolinone Derivatives as Potent, Selective, and Orally Bioavailable Mutant Isocitrate Dehydrogenase 1 (mIDH1) Inhibitors.
J.Med.Chem., 62, 2019
6O58
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BU of 6o58 by Molmil
Human MCU-EMRE complex, dimer of channel
分子名称: CALCIUM ION, Calcium uniporter protein, mitochondrial, ...
著者Wang, Y, Bai, X, Jiang, Y.
登録日2019-03-01
公開日2019-05-22
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural Mechanism of EMRE-Dependent Gating of the Human Mitochondrial Calcium Uniporter.
Cell, 177, 2019
6O6J
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BU of 6o6j by Molmil
Crystal structure of the LjCASTOR gating ring in the Ca2+ and Na+ condition
分子名称: CALCIUM ION, Ion channel CASTOR, MAGNESIUM ION, ...
著者Jiang, Y, Kim, S.
登録日2019-03-06
公開日2019-09-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Ca2+-regulated Ca2+channels with an RCK gating ring control plant symbiotic associations.
Nat Commun, 10, 2019
6OAP
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BU of 6oap by Molmil
Crystal structure of a dual sensor histidine kinase in the green-light absorbing Pg state
分子名称: Dual sensor histidine kinase, MAGNESIUM ION, PHYCOCYANOBILIN
著者Heewhan, S, Zhong, R, Xiaoli, Z, Sepalika, B, Xiaojing, Y.
登録日2019-03-18
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural basis of molecular logic OR in a dual-sensor histidine kinase.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OCU
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HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 29
分子名称: 5-{(3R)-3-methyl-4-[(1R,2R)-2-methylcyclopropane-1-carbonyl]piperazin-1-yl}-3-(1-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Lesburg, C.A, Augustin, M.A.
登録日2019-03-25
公開日2019-12-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Discovery and optimization of heteroaryl piperazines as potent and selective PI3K delta inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6OQV
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E. coli ATP Synthase State 2b
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
著者Stewart, A.G, Sobti, M, Walshe, J.L.
登録日2019-04-29
公開日2020-06-03
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch.
Nat Commun, 11, 2020
6O84
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Cryo-EM structure of OTOP3 from xenopus tropicalis
分子名称: LOC100127796 protein,LOC100127796 protein,OTOP3,LOC100127796 protein,LOC100127796 protein
著者Chen, Q.F, Bai, X.C, Jiang, Y.X.
登録日2019-03-08
公開日2019-04-24
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.92 Å)
主引用文献Structural and functional characterization of an otopetrin family proton channel.
Elife, 8, 2019
6O7C
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BU of 6o7c by Molmil
Crystal structure of the LjCASTOR gating ring in the Ca2+ and K+ state
分子名称: CALCIUM ION, Ion channel CASTOR, MAGNESIUM ION, ...
著者Jiang, Y, Kim, S.
登録日2019-03-07
公開日2019-09-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Ca2+-regulated Ca2+channels with an RCK gating ring control plant symbiotic associations.
Nat Commun, 10, 2019
6O7A
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BU of 6o7a by Molmil
Crystal structure of the LjCASTOR gating ring in the Ca2+-free state
分子名称: Ion channel CASTOR
著者Jiang, Y, Kim, S.
登録日2019-03-07
公開日2019-09-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Ca2+-regulated Ca2+channels with an RCK gating ring control plant symbiotic associations.
Nat Commun, 10, 2019

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