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8H7M
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BU of 8h7m by Molmil
Structure of nanobody 11A in complex with parathion
分子名称: Nanobody 11A, parathion
著者Wang, H, Li, J.D, Shen, X, Xu, Z.L, Sun, Y.M.
登録日2022-10-20
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structure of nanobody 11A in complex with parathion
To Be Published
8H7I
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BU of 8h7i by Molmil
Structure of nanobody 11A in complex with quinalphos
分子名称: Nanobody 11A, quinalphos
著者Wang, H, Li, J.D, Shen, X, Xu, Z.L, Sun, Y.M.
登録日2022-10-20
公開日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of nanobody 11A in complex with quinalphos
To Be Published
8H7R
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BU of 8h7r by Molmil
Structure of nanobody 11A in complex with coumaphos
分子名称: Nanobody 11A, coumaphos
著者Wang, H, Li, J.D, Shen, X, Xu, Z.L, Sun, Y.M.
登録日2022-10-20
公開日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of nanobody 11A in complex with coumaphos
To Be Published
8IRW
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BU of 8irw by Molmil
Structure of nanobody Nb9 against parathion
分子名称: nanobody Nb9 against parathion
著者Wang, H, Li, J.D, Shen, X, Xu, Z.L, Sun, Y.M.
登録日2023-03-19
公開日2024-03-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure of nanobody Nb9 against parathion
To Be Published
7DL0
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BU of 7dl0 by Molmil
The mutant E310G/A314Y of 3,5-DAHDHcca complex with NADPH
分子名称: 1,2-ETHANEDIOL, 3,5-diaminohexanoate dehydrogenase, CHLORIDE ION, ...
著者Liu, N, Wu, L, Zhu, D.M, Zhou, J.H.
登録日2020-11-25
公開日2021-09-29
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Crystal Structures and Catalytic Mechanism of l-erythro-3,5-Diaminohexanoate Dehydrogenase and Rational Engineering for Asymmetric Synthesis of beta-Amino Acids.
Angew.Chem.Int.Ed.Engl., 60, 2021
7DL7
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BU of 7dl7 by Molmil
The wild-type structure of 3,5-DAHDHcca
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,5-diaminohexanoate dehydrogenase, ...
著者Liu, N, Wu, L, Zhu, D.M, Zhou, J.H.
登録日2020-11-26
公開日2021-09-29
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.30065823 Å)
主引用文献Crystal Structures and Catalytic Mechanism of l-erythro-3,5-Diaminohexanoate Dehydrogenase and Rational Engineering for Asymmetric Synthesis of beta-Amino Acids.
Angew.Chem.Int.Ed.Engl., 60, 2021
7DL1
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BU of 7dl1 by Molmil
The mutant E310G/G323S structure of 3,5-DAHDHcca complex with NADPH
分子名称: 3,5-diaminohexanoate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Liu, N, Wu, L, Zhu, D.M, Zhou, J.H.
登録日2020-11-25
公開日2021-09-29
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Crystal Structures and Catalytic Mechanism of l-erythro-3,5-Diaminohexanoate Dehydrogenase and Rational Engineering for Asymmetric Synthesis of beta-Amino Acids.
Angew.Chem.Int.Ed.Engl., 60, 2021
7DL3
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BU of 7dl3 by Molmil
The structure of 3,5-DAHDHcca complex with NADPH
分子名称: 3,5-diaminohexanoate dehydrogenase, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Liu, N, Wu, L, Zhu, D.M, Zhou, J.H.
登録日2020-11-25
公開日2021-09-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.84606934 Å)
主引用文献Crystal Structures and Catalytic Mechanism of l-erythro-3,5-Diaminohexanoate Dehydrogenase and Rational Engineering for Asymmetric Synthesis of beta-Amino Acids.
Angew.Chem.Int.Ed.Engl., 60, 2021
5U5T
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BU of 5u5t by Molmil
Crystal structure of EED in complex with H3K27Me3 peptide and 3-(benzo[d][1,3]dioxol-4-ylmethyl)piperidine-1-carboximidamide
分子名称: (3R)-3-[(2H-1,3-benzodioxol-4-yl)methyl]piperidine-1-carboximidamide, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED, ...
著者Bussiere, D, Shu, W.
登録日2016-12-07
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
5U5K
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BU of 5u5k by Molmil
Crystal structure of EED in complex with 3-(3-methoxybenzyl)piperidine hydrochloride
分子名称: (3R)-3-[(3-methoxyphenyl)methyl]piperidine, FORMIC ACID, Polycomb protein EED
著者Bussiere, D, Shu, W.
登録日2016-12-06
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
5U62
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BU of 5u62 by Molmil
Crystal structure of EED in complex with H3K27Me3 peptide and 6-(benzo[d][1,3]dioxol-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine
分子名称: (6S)-6-[(2H-1,3-benzodioxol-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine, GLYCEROL, Histone-lysine N-methyltransferase EZH2, ...
著者Bussiere, D, Shu, W.
登録日2016-12-07
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
5U5H
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BU of 5u5h by Molmil
Crystal structure of EED in complex with 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine
分子名称: (6S)-6-[(2-fluoro-5-methoxyphenyl)methyl]-1-(propan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine, GLYCEROL, Polycomb protein EED
著者Bussiere, D, Shu, W.
登録日2016-12-06
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
5ITA
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BU of 5ita by Molmil
Crystal Structure of BRAF Kinase Domain Bound to AZ-VEM
分子名称: N-{2-cyano-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf
著者Wu, Y, Gavathiotis, E.
登録日2016-03-16
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献An integrated model of RAF inhibitor action predicts inhibitor activity against oncogenic BRAF signaling
Cancer Cell, 30, 2016
7A1A
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BU of 7a1a by Molmil
2,3-Dihydroxybenzoate Decarboxylase of Aspergillus oryzae
分子名称: Amidohydrolase 2, CALCIUM ION, MAGNESIUM ION
著者Hofer, G, Keller, W.
登録日2020-08-12
公開日2020-10-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Metal Ion Promiscuity and Structure of 2,3-Dihydroxybenzoic Acid Decarboxylase of Aspergillus oryzae.
Chembiochem, 22, 2021
7A19
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BU of 7a19 by Molmil
2,3-Dihydroxybenzoate Decarboxylase of Aspergillus oryzae
分子名称: Amidohydrolase 2, MAGNESIUM ION
著者Hofer, G, Keller, W.
登録日2020-08-12
公開日2020-10-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Metal Ion Promiscuity and Structure of 2,3-Dihydroxybenzoic Acid Decarboxylase of Aspergillus oryzae.
Chembiochem, 22, 2021
4RZW
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BU of 4rzw by Molmil
Crystal structure of BRAF (R509H) kinase domain bound to AZ628
分子名称: 3-(2-cyanopropan-2-yl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide, Serine/threonine-protein kinase B-raf
著者Wu, Y, Gavathiotis, E.
登録日2014-12-24
公開日2016-08-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.493 Å)
主引用文献An integrated model of RAF inhibitor action predicts inhibitor activity against oncogenic BRAF signaling
Cancer Cell, 30, 2016
4RZV
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BU of 4rzv by Molmil
Crystal structure of the BRAF (R509H) kinase domain monomer bound to Vemurafenib
分子名称: N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide, Serine/threonine-protein kinase B-raf
著者Wu, Y, Gavathiotis, E.
登録日2014-12-24
公開日2016-08-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.994 Å)
主引用文献An integrated model of RAF inhibitor action predicts inhibitor activity against oncogenic BRAF signaling
Cancer Cell, 30, 2016
6DWO
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BU of 6dwo by Molmil
Crystal structure of alpha-1-2-mannosidase from Enterococcus faecalis V583
分子名称: ACETATE ION, Alpha-1,2-mannosidase, CALCIUM ION, ...
著者Fisher, A.J, Li, Y.
登録日2018-06-26
公開日2019-10-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Enterococcus faecalis alpha 1-2-mannosidase (EfMan-I): an efficient catalyst for glycoprotein N-glycan modification.
Febs Lett., 594, 2020
5O3M
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BU of 5o3m by Molmil
Crystal structure of apo Klebsiella pneumoniae 3,4-dihydroxybenzoic acid decarboxylase (AroY)
分子名称: Protocatechuate decarboxylase, pentane-1,5-diol
著者Marshall, S.A, Leys, D.
登録日2017-05-24
公開日2017-09-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Regioselective para-Carboxylation of Catechols with a Prenylated Flavin Dependent Decarboxylase.
Angew. Chem. Int. Ed. Engl., 56, 2017
5O3N
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BU of 5o3n by Molmil
Crystal structure of E. cloacae 3,4-dihydroxybenzoic acid decarboxylase (AroY) reconstituted with prFMN
分子名称: 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, 3,4-dihydroxybenzoate decarboxylase, GLYCEROL, ...
著者Marshall, S.A, Leys, D.
登録日2017-05-24
公開日2017-09-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Regioselective para-Carboxylation of Catechols with a Prenylated Flavin Dependent Decarboxylase.
Angew. Chem. Int. Ed. Engl., 56, 2017
5NY5
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BU of 5ny5 by Molmil
The apo structure of 3,4-dihydroxybenzoic acid decarboxylases from Enterobacter cloacae
分子名称: 3,4-dihydroxybenzoate decarboxylase, GLYCEROL
著者Dordic, A, Gruber, K, Payer, S, Glueck, S, Pavkov-Keller, T, Marshall, S, Leys, D.
登録日2017-05-11
公開日2017-09-13
最終更新日2020-11-18
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Regioselective para-Carboxylation of Catechols with a Prenylated Flavin Dependent Decarboxylase.
Angew. Chem. Int. Ed. Engl., 56, 2017
4LGI
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BU of 4lgi by Molmil
N-terminal truncated NleC structure
分子名称: Uncharacterized protein
著者Li, W.Q, Liu, Y.X, Sheng, X.L, Yan, C.Y, Wang, J.W.
登録日2013-06-28
公開日2014-01-15
最終更新日2015-02-25
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Structure and mechanism of a type III secretion protease, NleC
Acta Crystallogr.,Sect.D, 70, 2014
4LGJ
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BU of 4lgj by Molmil
Crystal structure and mechanism of a type III secretion protease
分子名称: Uncharacterized protein, ZINC ION
著者Li, W.Q, Liu, Y.X, Sheng, X.L, Yan, C.Y, Wang, J.W.
登録日2013-06-28
公開日2014-01-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure and mechanism of a type III secretion protease, NleC
Acta Crystallogr.,Sect.D, 70, 2014
7VIO
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BU of 7vio by Molmil
Crystal structure of recombinant horse spleen apo-R168H/L169C-Fr
分子名称: CADMIUM ION, Ferritin light chain, GLYCEROL, ...
著者Lu, C, Peng, X, Maity, B, Ito, N, Abe, S, Wu, J, Ueno, T, Lu, D.
登録日2021-09-27
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Design of a gold clustering site in an engineered apo-ferritin cage.
Commun Chem, 5, 2022
7VIU
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BU of 7viu by Molmil
Crystal structure of Au(200EQ)-apo-R168C/L169C-rHLFr
分子名称: CADMIUM ION, CHLORIDE ION, Ferritin light chain, ...
著者Lu, C, Peng, X, Maity, B, Ito, N, Abe, S, Ueno, T, Lu, D.
登録日2021-09-27
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Design of a gold clustering site in an engineered apo-ferritin cage.
Commun Chem, 5, 2022

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