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5G18
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BU of 5g18 by Molmil
Direct Observation of Active-site Protonation States in a Class A beta lactamase with a monobactam substrate
分子名称: 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, BETA-LACTAMASE CTX-M-97, SULFATE ION
著者Vandavasi, V.G, Weiss, K.L, Parks, J.M, Cooper, J.B, Ginell, S.L, Coates, L.
登録日2016-03-23
公開日2016-11-09
最終更新日2019-10-23
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Active-Site Protonation States in an Acyl-Enzyme Intermediate of a Class A beta-Lactamase with a Monobactam Substrate.
Antimicrob. Agents Chemother., 61, 2017
5KSC
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BU of 5ksc by Molmil
E166A/R274N/R276N Toho-1 Beta-lactamase aztreonam acyl-enzyme intermediate
分子名称: 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, Beta-lactamase Toho-1
著者Vandavasi, V.G, Langan, P.S, Weiss, K, Parks, J.M, Cooper, J.B, Ginell, S.L, Coates, L.
登録日2016-07-08
公開日2016-11-09
最終更新日2019-12-04
実験手法NEUTRON DIFFRACTION (2.1 Å)
主引用文献Active-Site Protonation States in an Acyl-Enzyme Intermediate of a Class A beta-Lactamase with a Monobactam Substrate.
Antimicrob. Agents Chemother., 61, 2017
5A93
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BU of 5a93 by Molmil
293K Joint X-ray Neutron with Cefotaxime: EXPLORING THE MECHANISM OF BETA-LACTAM RING PROTONATION IN THE CLASS A BETA-LACTAMASE ACYLATION MECHANISM USING NEUTRON AND X-RAY CRYSTALLOGRAPHY
分子名称: BETA-LACTAMASE CTX-M-97, CEFOTAXIME, C3' cleaved, ...
著者Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Erskine, P.T, Tomanicek, S.J, Ostermann, A, Schrader, T.E, Ginell, S.L, Coates, L.
登録日2015-07-17
公開日2015-12-16
最終更新日2024-01-10
実験手法NEUTRON DIFFRACTION (1.598 Å), X-RAY DIFFRACTION
主引用文献Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography.
J.Med.Chem., 59, 2016
5A91
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BU of 5a91 by Molmil
15K X-ray ligand free: Exploring the Mechanism of beta-Lactam Ring Protonation in the Class A beta-lactamase Acylation Mechanism Using Neutron and X-ray Crystallography
分子名称: Beta-lactamase Toho-1, SULFATE ION
著者Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Erskine, P.T, Tomanicek, S.J, Ostermann, A, Schrader, T.E, Ginell, S.L, Coates, L.
登録日2015-07-17
公開日2015-12-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography.
J.Med.Chem., 59, 2016
5A92
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BU of 5a92 by Molmil
15K X-ray structure with Cefotaxime: Exploring the Mechanism of beta- Lactam Ring Protonation in the Class A beta-lactamase Acylation Mechanism Using Neutron and X-ray Crystallography
分子名称: BETA-LACTAMASE CTX-M-97, CEFOTAXIME, C3' cleaved, ...
著者Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Erskine, P.T, Tomanicek, S.J, Ostermann, A, Schrader, T.E, Ginell, S.L, Coates, L.
登録日2015-07-17
公開日2015-12-16
最終更新日2018-10-03
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography.
J.Med.Chem., 59, 2016
5A90
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BU of 5a90 by Molmil
100K Neutron Ligand Free: Exploring the Mechanism of beta-Lactam Ring Protonation in the Class A beta-lactamase Acylation Mechanism Using Neutron and X-ray Crystallography
分子名称: BETA-LACTAMASE CTX-M-97
著者Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Erskine, P.T, Tomanicek, S.J, Ostermann, A, Schrader, T.E, Ginell, S.L, Coates, L.
登録日2015-07-17
公開日2015-12-16
最終更新日2024-05-08
実験手法NEUTRON DIFFRACTION (1.7 Å)
主引用文献Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography.
J.Med.Chem., 59, 2016
6D4L
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BU of 6d4l by Molmil
Joint X-ray/neutron structure of DNA oligonucleotide d(GTGGCCAC)2 with 2'-SeCH3 modification on Cyt5
分子名称: DNA (5'-D(*GP*TP*GP*GP*(CSL)P*CP*AP*C)-3'), MAGNESIUM ION
著者Kovalevsky, A, Huang, Z, Vandavasi, V.G.
登録日2018-04-18
公開日2018-10-17
最終更新日2023-10-04
実験手法NEUTRON DIFFRACTION (1.56 Å), X-RAY DIFFRACTION
主引用文献Temperature-Induced Replacement of Phosphate Proton with Metal Ion Captured in Neutron Structures of A-DNA.
Structure, 26, 2018
6D54
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BU of 6d54 by Molmil
Low Temperature joint X-ray/neutron structure of DNA oligonucleotide d(GTGGCCAC)2 with 2'-SeCH3 modification on Cyt5
分子名称: DNA (5'-D(*GP*TP*GP*GP*(CSL)P*CP*AP*C)-3'), MAGNESIUM ION
著者Kovalevsky, A, Huang, Z, Vandavasi, V.G.
登録日2018-04-19
公開日2018-10-17
最終更新日2023-10-04
実験手法NEUTRON DIFFRACTION (1.65 Å), X-RAY DIFFRACTION
主引用文献Temperature-Induced Replacement of Phosphate Proton with Metal Ion Captured in Neutron Structures of A-DNA.
Structure, 26, 2018
6UFE
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BU of 6ufe by Molmil
The structure of a potassium selective ion channel at atomic resolution
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Transporter
著者Langan, P.S, Vandavasi, V.G, Sullivan, B, Afonine, P.V, Weiss, K.L.
登録日2019-09-24
公開日2020-08-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献The structure of a potassium-selective ion channel reveals a hydrophobic gate regulating ion permeation.
Iucrj, 7, 2020
6C7A
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BU of 6c7a by Molmil
Conformational Changes in a Class A Beta lactamase that Prime it for Catalysis
分子名称: Beta-lactamase Toho-1, SULFATE ION
著者Coates, L, Langan, P.S, Vandavasi, V.G, Cooper, S.J, Weiss, K.L, Ginell, S.L, Parks, J.M.
登録日2018-01-22
公開日2018-03-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis
Acs Catalysis, 8, 2018
6C78
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BU of 6c78 by Molmil
Substrate Binding Induces Conformational Changes In A Class A Beta Lactamase That Primes It For Catalysis
分子名称: Beta-lactamase Toho-1
著者Langan, P.S, Vandavasi, V.G, Cooper, S.J, Weiss, K.L, Ginell, S.L, Parks, J.M, Coates, L.
登録日2018-01-22
公開日2018-03-21
最終更新日2024-03-13
実験手法NEUTRON DIFFRACTION (1.75 Å)
主引用文献Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis
Acs Catalysis, 8, 2018
6C79
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BU of 6c79 by Molmil
Conformational Changes in a Class A Beta lactamase that Prime it for Catalysis
分子名称: (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, Beta-lactamase Toho-1, SULFATE ION
著者Coates, L, Langan, P.S, Vandavasi, V.G, Cooper, S.J, Weiss, K.L, Ginell, S.L, Parks, J.M.
登録日2018-01-22
公開日2018-03-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis
Acs Catalysis, 8, 2018
5KMW
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BU of 5kmw by Molmil
TOHO1 Beta lactamase mutant E166A/R274N/R276N -benzyl penicillin complex
分子名称: Beta-lactamase Toho-1, OPEN FORM - PENICILLIN G, PENICILLIN G, ...
著者Coates, L, Langan, P.S, Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Ginell, S.L.
登録日2016-06-27
公開日2017-03-01
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献TOHO1 Beta lactamase mutant E166A/R274N/R276N -benzyl penicillin complex
to be published
6DZ1
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BU of 6dz1 by Molmil
Studies of Ion Transport in K+ Channels
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein
著者Langan, P.S, Vandavasi, V.G, Weiss, K.L, Wagner, A, Duman, R, El Omari, K, Afonine, P.V, Coates, L.
登録日2018-07-02
公開日2018-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Anomalous X-ray diffraction studies of ion transport in K+channels.
Nat Commun, 9, 2018
4P7B
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BU of 4p7b by Molmil
Crystal structure of S. typhimurium peptidyl-tRNA hydrolase
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Peptidyl-tRNA hydrolase
著者Vandavasi, V.G, McFeeters, R.L, Taylor-Creel, K, Coates, L, McFeeters, H.
登録日2014-03-26
公開日2014-07-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Recombinant production, crystallization and X-ray crystallographic structure determination of peptidyl-tRNA hydrolase from Salmonella typhimurium.
Acta Crystallogr.,Sect.F, 70, 2014

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件を2024-07-24に公開中

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