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4X6T
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M.tuberculosis betalactamase complexed with inhibitor EC19
分子名称: 3-[(2R)-2-(dihydroxyboranyl)-2-{[(2R)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}ethyl]benzoic acid, Beta-lactamase, PHOSPHATE ION
著者Hazra, S.
登録日2014-12-09
公開日2015-12-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Inhibiting the beta-Lactamase of Mycobacterium tuberculosis (Mtb) with Novel Boronic Acid Transition-State Inhibitors (BATSIs).
ACS Infect Dis, 1, 2015
2OV5
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BU of 2ov5 by Molmil
Crystal structure of the KPC-2 carbapenemase
分子名称: BICINE, Carbapenemase
著者Ke, W, Bethel, C.R, Thomson, J.M, Bonomo, R.A, van den Akker, F.
登録日2007-02-13
公開日2007-05-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of KPC-2: Insights into Carbapenemase Activity in Class A beta-Lactamases.
Biochemistry, 46, 2007
2P74
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BU of 2p74 by Molmil
CTX-M-9 class A beta-lactamase apo crystal structure at 0.88 Angstrom resolution
分子名称: Beta-lactamase CTX-M-9a, PHOSPHATE ION, POTASSIUM ION
著者Chen, Y, Bonnet, R, Shoichet, B.K.
登録日2007-03-19
公開日2007-04-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.88 Å)
主引用文献The Acylation Mechanism of CTX-M beta-Lactamase at 0.88 A Resolution.
J.Am.Chem.Soc., 129, 2007
6GTH
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BU of 6gth by Molmil
Serial Femtosecond Crystallography at Megahertz pulse rates
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
著者Wiedorn, M, Oberthuer, D, Werner, N, Schubert, R, White, T.A, Mancuso, A, Perbandt, M, Betzel, C, Barty, A, Chapman, H.
登録日2018-06-18
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Megahertz serial crystallography.
Nat Commun, 9, 2018
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
5T66
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BU of 5t66 by Molmil
Crystal Structure of CTX-M-15 with 1C
分子名称: (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, Beta-lactamase
著者Cahill, S.T, Brem, J, McDonough, M.A, Schofield, C.J.
登録日2016-09-01
公開日2017-02-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.951 Å)
主引用文献Cyclic Boronates Inhibit All Classes of beta-Lactamases.
Antimicrob. Agents Chemother., 61, 2017
5TWD
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CTX-M-14 P167S apoenzyme
分子名称: Beta-lactamase
著者Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T.
登録日2016-11-12
公開日2017-06-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation.
Biochemistry, 56, 2017
5TW4
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Crystal structure of S. aureus penicillin binding protein 4 (PBP4) mutant (E183A, F241R) in complex with ceftaroline
分子名称: CHLORIDE ION, Ceftaroline, bound form, ...
著者Alexander, J.A.N, Strynadka, N.C.J.
登録日2016-11-11
公開日2018-05-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Structural and kinetic analysis of penicillin-binding protein 4 (PBP4)-mediated antibiotic resistance inStaphylococcus aureus.
J. Biol. Chem., 2018
5TY7
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Crystal structure of wild-type S. aureus penicillin binding protein 4 (PBP4) in complex with nafcillin
分子名称: (2R,4S)-2-[(1R)-1-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Penicillin-binding protein 4, SODIUM ION, ...
著者Alexander, J.A.N, Strynadka, N.C.J.
登録日2016-11-18
公開日2018-06-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.894 Å)
主引用文献Structural and kinetic analysis of penicillin-binding protein 4 (PBP4)-mediated antibiotic resistance inStaphylococcus aureus.
J. Biol. Chem., 2018
5TWE
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BU of 5twe by Molmil
CTX-M-14 P167S:S70G mutant enzyme crystallized with ceftazidime
分子名称: ACYLATED CEFTAZIDIME, Beta-lactamase
著者Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T.
登録日2016-11-12
公開日2017-06-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation.
Biochemistry, 56, 2017
4DE0
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BU of 4de0 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 16
分子名称: Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazole-7-carboxamide
著者Nichols, D.N, Chen, Y.
登録日2012-01-19
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
4DE2
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CTX-M-9 class A beta-lactamase complexed with compound 12
分子名称: 3-[(dimethylamino)methyl]-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE
著者Nichols, D.A, Chen, Y.
登録日2012-01-19
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
4DF6
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BU of 4df6 by Molmil
Crystal Structure of the inhibitor NXL104 Covalent Adduct with TB B-lactamase
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, PHOSPHATE ION
著者Hazra, S, Blanchard, J.
登録日2012-01-23
公開日2012-07-18
最終更新日2015-06-03
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献NXL104 irreversibly inhibits the {beta}-lactamase from Mycobacterium tuberculosis.
Biochemistry, 51, 2012
4DXB
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2.29A structure of the engineered MBP TEM-1 fusion protein RG13 in complex with zinc, P1 space group
分子名称: Maltose-binding periplasmic protein, Beta-lactamase TEM chimera, ZINC ION
著者van den Akker, F, Ke, W.
登録日2012-02-27
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structure of an Engineered beta-Lactamase Maltose Binding Protein Fusion Protein: Insights into Heterotropic Allosteric Regulation.
Plos One, 7, 2012
4DE1
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BU of 4de1 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 18
分子名称: Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-2H-indazole-5-carboxamide
著者Nichols, D.A, Chen, Y.
登録日2012-01-19
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
5NE2
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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
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
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
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
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
5NJ2
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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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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
7QLP
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Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.3 A resolution
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
著者Hakanpaa, J, Petrova, T, Samygina, V.R, Lamzin, V.S, Egorov, A.M.
登録日2021-12-20
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam.
Acta Crystallogr D Struct Biol, 78, 2022
7QNK
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Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.5 A resolution
分子名称: ACETATE ION, Beta-lactamase TEM, TAZOBACTAM INTERMEDIATE
著者Hakanpaa, J, Petrova, T, Samygina, V.R, Lamzin, V.S, Egorov, A.M.
登録日2021-12-21
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam.
Acta Crystallogr D Struct Biol, 78, 2022
7QOR
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Structure of beta-lactamase TEM-171
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
著者Hakanpaa, J, Petrova, T, Samygina, V.R, Chojnowski, G, Lamzin, V, Egorov, A.M.
登録日2021-12-28
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam.
Acta Crystallogr D Struct Biol, 78, 2022

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件を2024-08-07に公開中

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