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6H27
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BU of 6h27 by Molmil
Structure of S70C BlaC from Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, BlaC
著者Tassoni, R, Pannu, N.S, Ubbink, M.
登録日2018-07-13
公開日2019-01-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis.
Biochemistry, 58, 2019
5MGI
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BU of 5mgi by Molmil
Crystal structure of KPC-2 carbapenemase in complex with a phenyl boronic inhibitor.
分子名称: (~{E})-3-[2-(dihydroxyboranyl)phenyl]prop-2-enoic acid, Carbapenem-hydrolyzing beta-lactamase KPC
著者Vicario, M, Celenza, G, Bellio, P, Perilli, M.G, Tondi, D, Cendron, L.
登録日2016-11-21
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Phenylboronic Acid Derivatives as Validated Leads Active in Clinical Strains Overexpressing KPC-2: A Step against Bacterial Resistance.
Chemmedchem, 13, 2018
7Q0Y
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BU of 7q0y by Molmil
Crystal structure of CTX-M-14 in complex with Bortezomib
分子名称: ACETATE ION, Beta-lactamase, CHLORIDE ION, ...
著者Werner, N, Perbandt, M, Hinrichs, W, Prester, A, Rohde, H, Aepfelbacher, M, Betzel, C.
登録日2021-10-17
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural basis to repurpose boron-based proteasome inhibitors Bortezomib and Ixazomib as beta-lactamase inhibitors.
Sci Rep, 12, 2022
7Q11
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BU of 7q11 by Molmil
Crystal structure of CTX-M-14 in complex with Ixazomib
分子名称: Beta-lactamase, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Werner, N, Perbandt, M, Hinrichs, W, Prester, A, Rohde, H, Aepfelbacher, M, Betzel, C.
登録日2021-10-17
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Structural basis to repurpose boron-based proteasome inhibitors Bortezomib and Ixazomib as beta-lactamase inhibitors.
Sci Rep, 12, 2022
7Q0Z
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BU of 7q0z by Molmil
Crystal structure of CTX-M-14
分子名称: Beta-lactamase, GLYCEROL, SULFATE ION
著者Werner, N, Perbandt, M, Hinrichs, W, Prester, A, Rohde, H, Aepfelbacher, M, Betzel, C.
登録日2021-10-17
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Structural basis to repurpose boron-based proteasome inhibitors Bortezomib and Ixazomib as beta-lactamase inhibitors.
Sci Rep, 12, 2022
5OYO
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BU of 5oyo by Molmil
Crystal structure of BlaC from Mycobacterium tuberculosis
分子名称: ACETATE ION, Beta-lactamase, GLYCEROL, ...
著者Tassoni, R, Pannu, N.S.
登録日2017-09-11
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Phosphate Promotes the Recovery of Mycobacterium tuberculosis beta-Lactamase from Clavulanic Acid Inhibition.
Biochemistry, 56, 2017
5NPO
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BU of 5npo by Molmil
Promiscuous Protein Self-Assembly as a Function of Protein Stability
分子名称: Beta-lactamase, Beta-lactamase TEM, MAGNESIUM ION
著者Cohen-Khait, R, Dym, O, Hamer-Rogotner, S, Schreiber, G.
登録日2017-04-18
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Promiscuous Protein Binding as a Function of Protein Stability.
Structure, 25, 2017
5NE1
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L2 class A serine-beta-lactamase in complex with cyclic boronate 2
分子名称: (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, Beta-lactamase, TRIETHYLENE GLYCOL
著者Hinchliffe, P, Calvopina, K, Spencer, J.
登録日2017-03-09
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural/mechanistic insights into the efficacy of nonclassical beta-lactamase inhibitors against extensively drug resistant Stenotrophomonas maltophilia clinical isolates.
Mol. Microbiol., 106, 2017
5NJ2
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BU of 5nj2 by Molmil
Crystal structure of BlaC from Mycobacterium tuberculosis bound to phosphate
分子名称: 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL, ACETATE ION, ...
著者Tassoni, R, Pannu, N.S, Ubbink, M.
登録日2017-03-27
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Phosphate Promotes the Recovery of Mycobacterium tuberculosis beta-Lactamase from Clavulanic Acid Inhibition.
Biochemistry, 56, 2017
5NE3
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BU of 5ne3 by Molmil
L2 class A serine-beta-lactamase complexed with avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
著者Hinchliffe, P, Calvopina, K, Spencer, J.
登録日2017-03-09
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural/mechanistic insights into the efficacy of nonclassical beta-lactamase inhibitors against extensively drug resistant Stenotrophomonas maltophilia clinical isolates.
Mol. Microbiol., 106, 2017
5NE2
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BU of 5ne2 by Molmil
L2 class A serine-beta-lactamase
分子名称: Beta-lactamase, D-GLUTAMIC ACID
著者Hinchliffe, P, Calvopina, K, Spencer, J.
登録日2017-03-09
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Structural/mechanistic insights into the efficacy of nonclassical beta-lactamase inhibitors against extensively drug resistant Stenotrophomonas maltophilia clinical isolates.
Mol. Microbiol., 106, 2017
6ITY
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BU of 6ity by Molmil
CTX-M-64 sulbactam complex
分子名称: ACRYLIC ACID, Beta-lactamase, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
著者Cheng, Q, Chen, S.
登録日2018-11-26
公開日2019-10-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution.
Acs Infect Dis., 6, 2020
4C3Q
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BU of 4c3q by Molmil
Neutron structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB) at 100K
分子名称: BENZO[B]THIOPHENE-2-BORONIC ACID, BETA-LACTAMASE TOHO-1
著者Coates, L, Tomanicek, S.J, Schrader, T, Weiss, K.L, Ng, J.D, Ostermann, A.
登録日2013-08-26
公開日2014-07-09
最終更新日2017-03-22
実験手法NEUTRON DIFFRACTION (2.2 Å)
主引用文献Cryogenic Neutron Protein Crystallography: Routine Methods and Potential Benefits
J.Appl.Crystallogr., 47, 2014
8BTW
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BU of 8btw by Molmil
Structure of D179N BlaC from Mycobacterium tuberculosis in complex with vaborbactam
分子名称: Beta-lactamase, GLYCEROL, PHOSPHATE ION, ...
著者Chikunova, A, Bruenle, S, Ubbink, M.
登録日2022-12-02
公開日2023-07-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Asp179 in the class A beta-lactamase from Mycobacterium tuberculosis is a conserved yet not essential residue due to epistasis.
Febs J., 290, 2023
8BTU
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BU of 8btu by Molmil
Structure of D179N BlaC from Mycobacterium tuberculosis
分子名称: Beta-lactamase
著者Chikunova, A, Bruenle, S, Ubbink, M.
登録日2022-11-30
公開日2023-07-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Asp179 in the class A beta-lactamase from Mycobacterium tuberculosis is a conserved yet not essential residue due to epistasis.
Febs J., 290, 2023
8BTV
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BU of 8btv by Molmil
Structure of D179N BlaC from Mycobacterium tuberculosis bound to the trans-enamine adduct of sulbactam
分子名称: Beta-lactamase, GLYCEROL, PHOSPHATE ION, ...
著者Chikunova, A, Bruenle, S, Ubbink, M.
登録日2022-12-02
公開日2023-07-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Asp179 in the class A beta-lactamase from Mycobacterium tuberculosis is a conserved yet not essential residue due to epistasis.
Febs J., 290, 2023
8BV4
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BU of 8bv4 by Molmil
Structure of BlaC from Mycobacterium tuberculosis in complex with vaborbactam
分子名称: Beta-lactamase, GLYCEROL, PHOSPHATE ION, ...
著者Chikunova, A, Bruenle, S, Ubbink, M.
登録日2022-12-01
公開日2023-07-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Asp179 in the class A beta-lactamase from Mycobacterium tuberculosis is a conserved yet not essential residue due to epistasis.
Febs J., 290, 2023
8DDZ
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BU of 8ddz by Molmil
TEM-1 beta-lactamase A237Y
分子名称: Beta-lactamase TEM
著者Ji, Z, Boxer, S.G, Mathews, I.I.
登録日2022-06-19
公開日2022-09-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of beta-Lactamases.
J.Am.Chem.Soc., 144, 2022
3ZNY
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BU of 3zny by Molmil
Crystal structure of the class A extended-spectrum beta-lactamase CTX- M-96, a natural D240G mutant derived from CTX-M-12
分子名称: CTX-M-12A ENZYME
著者Power, P, Herman, R, Bouillenne, F, Ghiglione, B, Rodriguez, M.M, Galleni, M, Gutkind, G, Charlier, P, Sauvage, E.
登録日2013-02-18
公開日2014-01-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural and Kinetic Insights Into the "Ceftazidimase" Behavior of the Extended-Spectrum Beta-Lactamase Ctx-M-96.
Biochemistry, 54, 2015
8DE1
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BU of 8de1 by Molmil
TEM-1 beta-lactamase A237Y mutant covalently bound to avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase TEM
著者Ji, Z, Boxer, S.G, Mathews, I.I.
登録日2022-06-19
公開日2022-09-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of beta-Lactamases.
J.Am.Chem.Soc., 144, 2022
8DE2
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BU of 8de2 by Molmil
TEM-1 beta-lactamase A237Y mutant covalently bound to avibactam, a room temperature structure
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase TEM
著者Ji, Z, Boxer, S.G, Mathews, I.I.
登録日2022-06-19
公開日2022-09-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of beta-Lactamases.
J.Am.Chem.Soc., 144, 2022
8DE0
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BU of 8de0 by Molmil
TEM-1 beta-lactamase covalently bound to avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase TEM
著者Ji, Z, Boxer, S.G, Mathews, I.I.
登録日2022-06-19
公開日2022-09-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of beta-Lactamases.
J.Am.Chem.Soc., 144, 2022
4BD0
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BU of 4bd0 by Molmil
X-ray structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB)
分子名称: BENZO[B]THIOPHENE-2-BORONIC ACID, BETA-LACTAMASE TOHO-1, SULFATE ION
著者Tomanicek, S.J, Weiss, K.L, Standaert, R.F, Ostermann, A, Schrader, T.E, Ng, J.D, Coates, L.
登録日2012-10-04
公開日2013-01-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.207 Å)
主引用文献Neutron and X-Ray Crystal Structures of a Perdeuterated Enzyme Inhibitor Complex Reveal the Catalytic Proton Network of the Toho-1 Beta-Lactamase for the Acylation Reaction.
J.Biol.Chem., 288, 2013
4A5R
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BU of 4a5r by Molmil
Crystal structure of class A beta-lactamase from Bacillus licheniformis BS3 with tazobactam
分子名称: BETA-LACTAMASE, CARBON DIOXIDE, CITRIC ACID, ...
著者Power, P, Sauvage, E, Herman, R, Kerff, F, Charlier, P.
登録日2011-10-28
公開日2012-10-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Class a Beta-Lactamase from Bacillus Licheniformis Inhibited by Tazobactam
To be Published
4BD1
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BU of 4bd1 by Molmil
Neutron structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB)
分子名称: BENZO[B]THIOPHENE-2-BORONIC ACID, TOHO-1 BETA-LACTAMASE
著者Tomanicek, S.J, Weiss, K.L, Standaert, R.F, Ostermann, A, Schrader, T.E, Ng, J.D, Coates, L.
登録日2012-10-04
公開日2013-01-16
最終更新日2017-03-22
実験手法NEUTRON DIFFRACTION (2.002 Å)
主引用文献Neutron and X-Ray Crystal Structures of a Perdeuterated Enzyme Inhibitor Complex Reveal the Catalytic Proton Network of the Toho-1 Beta-Lactamase for the Acylation Reaction.
J.Biol.Chem., 288, 2013

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件を2024-06-26に公開中

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