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7PSF
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BU of 7psf by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Imipenem
分子名称: 1-BUTANOL, BROMIDE ION, Beta-lactamase, ...
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-09-23
公開日2022-10-05
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7Q14
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BU of 7q14 by Molmil
Crystal Structure of a Class D Carbapenemase_K73ALY Complexed with Imipenem
分子名称: 1-BUTANOL, BROMIDE ION, Beta-lactamase, ...
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-10-18
公開日2022-11-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
5TJD
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BU of 5tjd by Molmil
Computer-based rational design of improved functionality for antibody catalysts toward organophosphorus compounds
分子名称: FAB A.17 L47K mutant HEAVY CHAIN, FAB A.17 L47K mutant Light Chain
著者Chatziefthimiou, S, Stepanova, A, Smirnov, I, Gabibov, A, Wilmanns, M.
登録日2016-10-04
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers.
Proc.Natl.Acad.Sci.USA, 2020
7NRJ
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BU of 7nrj by Molmil
Crystal Structure of a Class D carbapenemase complexed with iodide
分子名称: 1-BUTANOL, Beta-lactamase, GLYCEROL, ...
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-03-04
公開日2022-03-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7O5N
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BU of 7o5n by Molmil
Crystal Structure of a Class D carbapenemase complexed with Avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1-BUTANOL, Beta-lactamase, ...
著者Zhou, Q, Zhang, Z, He, Y, Jin, Y.
登録日2021-04-09
公開日2022-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7O5T
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BU of 7o5t by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Bromide
分子名称: BROMIDE ION, Beta-lactamase
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-04-09
公開日2022-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7O9N
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BU of 7o9n by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Bicarbonate
分子名称: BICARBONATE ION, Beta-lactamase
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-04-16
公開日2022-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7PGO
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BU of 7pgo by Molmil
Crystal Structure of a Class D Carbapenemase_R250A
分子名称: 1-BUTANOL, BROMIDE ION, Beta-lactamase
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-08-15
公開日2022-08-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7PEP
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BU of 7pep by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Hydrolyzed Imipenem
分子名称: (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, 1-BUTANOL, BROMIDE ION, ...
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-08-11
公開日2022-08-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7PFN
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BU of 7pfn by Molmil
Crystal Structure of a Class D Carbapenemase_K73ALY Complexed with Imipenem
分子名称: 1-BUTANOL, Beta-lactamase, Imipenem, ...
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-08-11
公開日2022-08-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7PEI
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BU of 7pei by Molmil
Crystal Structure of a Class D carbapenemase_E185A/R186A/R206A
分子名称: Beta-lactamase, GLYCEROL, SULFATE ION
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-08-10
公開日2022-08-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7PEH
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BU of 7peh by Molmil
Crystal Structure of a Class D Carbapenemase
分子名称: 1-BUTANOL, Beta-lactamase
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-08-10
公開日2022-08-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
5M6X
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BU of 5m6x by Molmil
Crystal Structure of human RhoGAP mutated in its arginine finger (R85A) in complex with RhoA.GDP.MgF3- human
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 1, ...
著者Pellegrini, E, Bowler, M.W.
登録日2016-10-26
公開日2017-05-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Assessing the Influence of Mutation on GTPase Transition States by Using X-ray Crystallography, (19) F NMR, and DFT Approaches.
Angew. Chem. Int. Ed. Engl., 56, 2017
5O6R
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BU of 5o6r by Molmil
Structure of beta-phosphoglucomutase D10N mutant in complex with glucose-1-phosphate and aluminium tetrafluoride
分子名称: 1-O-phosphono-beta-D-glucopyranose, Beta-phosphoglucomutase, MAGNESIUM ION, ...
著者Bowler, M.W.
登録日2017-06-07
公開日2018-06-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献van der Waals Contact between Nucleophile and Transferring Phosphorus Is Insufficient To Achieve Enzyme Transition-State Architecture
Acs Catalysis, 2018
5O6P
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BU of 5o6p by Molmil
Structure of beta-phosphoglucomutase D10N mutant in complex with glucose-1,6-bisphosphate
分子名称: 1,6-di-O-phosphono-beta-D-glucopyranose, Beta-phosphoglucomutase, MAGNESIUM ION
著者Bowler, M.W.
登録日2017-06-07
公開日2018-06-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献van der Waals Contact between Nucleophile and Transferring Phosphorus Is Insufficient To Achieve Enzyme Transition-State Architecture
Acs Catalysis, 2018
5OJZ
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BU of 5ojz by Molmil
D10N variant of beta-phosphoglucomutase from Lactococcus lactis inhibited by a beryllium triflouride phosphoenzyme analogue to 1.3A resolution.
分子名称: 1,2-ETHANEDIOL, BERYLLIUM TRIFLUORIDE ION, Beta-phosphoglucomutase, ...
著者Robertson, A.J, Bisson, C.
登録日2017-07-25
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献van der Waals Contact between Nucleophile and Transferring Phosphorus Is Insufficient To Achieve Enzyme Transition-State Architecture
Acs Catalysis, 2018
5OK0
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BU of 5ok0 by Molmil
Structure of the D10N mutant of beta-phosphoglucomutase from Lactococcus lactis trapped with native reaction intermediate beta-glucose 1,6-bisphosphate to 2.2A resolution.
分子名称: 1,3-PROPANDIOL, 1,6-di-O-phosphono-beta-D-glucopyranose, Beta-phosphoglucomutase, ...
著者Robertson, A.J, Bisson, C.
登録日2017-07-25
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献van der Waals Contact between Nucleophile and Transferring Phosphorus Is Insufficient To Achieve Enzyme Transition-State Architecture
Acs Catalysis, 2018
5M70
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BU of 5m70 by Molmil
Crystal Structure of human RhoGAP mutated in its arginin finger (R85A) in complex with RhoA.GDP.AlF4- human
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 1, ...
著者Pellegrini, E, Bowler, M.W.
登録日2016-10-26
公開日2017-05-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Assessing the Influence of Mutation on GTPase Transition States by Using X-ray Crystallography, (19) F NMR, and DFT Approaches.
Angew. Chem. Int. Ed. Engl., 56, 2017
5OK2
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BU of 5ok2 by Molmil
Structure of the D10N mutant of beta-phosphoglucomutase from Lactococcus lactis inhibited with glucose 6-phosphate and tetrafluoroaluminate to 1.1A resolution.
分子名称: 1,2-ETHANEDIOL, 6-O-phosphono-beta-D-glucopyranose, Beta-phosphoglucomutase, ...
著者Robertson, A.J, Bisson, C.
登録日2017-07-25
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献van der Waals Contact between Nucleophile and Transferring Phosphorus Is Insufficient To Achieve Enzyme Transition-State Architecture
Acs Catalysis, 2018
5OK1
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BU of 5ok1 by Molmil
D10N variant of beta-phosphoglucomutase from Lactococcus lactis trapped with native beta-glucose 1,6-bisphosphate intermediate to 1.9A resolution.
分子名称: 1,6-di-O-phosphono-beta-D-glucopyranose, Beta-phosphoglucomutase, MAGNESIUM ION
著者Robertson, A.J, Bisson, C.
登録日2017-07-25
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献van der Waals Contact between Nucleophile and Transferring Phosphorus Is Insufficient To Achieve Enzyme Transition-State Architecture
Acs Catalysis, 2018
2F1D
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BU of 2f1d by Molmil
X-Ray Structure of imidazoleglycerol-phosphate dehydratase
分子名称: Imidazoleglycerol-phosphate dehydratase 1, MANGANESE (II) ION, SULFATE ION
著者Rice, D.W, Glynn, S.E, Baker, P.J, Sedelnikova, S.E, Davies, C.L, Eadsforth, T.C.
登録日2005-11-14
公開日2006-01-24
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure and mechanism of imidazoleglycerol-phosphate dehydratase.
Structure, 13, 2005
2XE6
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BU of 2xe6 by Molmil
The complete reaction cycle of human phosphoglycerate kinase: The open binary complex with 3PG
分子名称: 3-PHOSPHOGLYCERIC ACID, PHOSPHOGLYCERATE KINASE 1
著者Cliff, M.J, Baxter, N.J, Blackburn, G.M, Merli, A, Vas, M, Waltho, J.P, Bowler, M.W.
登録日2010-05-11
公開日2011-01-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献A Spring Loaded Release Mechanism Regulates Domain Movement and Catalysis in Phosphoglycerate Kinase.
J.Biol.Chem., 286, 2011
2XE7
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BU of 2xe7 by Molmil
The complete reaction cycle of human phosphoglycerate kinase: The open ternary complex with 3PG and ADP
分子名称: 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, PHOSPHOGLYCERATE KINASE 1
著者Cliff, M.J, Baxter, N.J, Blackburn, G.M, Merli, A, Vas, M, Waltho, J.P, Bowler, M.W.
登録日2010-05-11
公開日2011-01-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A Spring Loaded Release Mechanism Regulates Domain Movement and Catalysis in Phosphoglycerate Kinase.
J.Biol.Chem., 286, 2011
2XE8
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BU of 2xe8 by Molmil
The complete reaction cycle of human phosphoglycerate kinase: The open ternary complex with 3PG and AMP-PNP
分子名称: 3-PHOSPHOGLYCERIC ACID, PHOSPHOGLYCERATE KINASE 1, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
著者Cliff, M.J, Baxter, N.J, Blackburn, G.M, Merli, A, Vas, M, Waltho, J.P, Bowler, M.W.
登録日2010-05-11
公開日2011-01-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献A Spring Loaded Release Mechanism Regulates Domain Movement and Catalysis in Phosphoglycerate Kinase.
J.Biol.Chem., 286, 2011
2H2J
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BU of 2h2j by Molmil
Structure of Rubisco LSMT bound to Sinefungin and Monomethyllysine
分子名称: N-METHYL-LYSINE, Ribulose-1,5 bisphosphate carboxylase/oxygenase large subunit N-methyltransferase, SINEFUNGIN
著者Couture, J.F, Hauk, G, Trievel, R.C.
登録日2006-05-18
公開日2006-05-30
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Catalytic Roles for Carbon-Oxygen Hydrogen Bonding in SET Domain Lysine Methyltransferases.
J.Biol.Chem., 281, 2006

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