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4AWZ
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BU of 4awz by Molmil
Crystal Structure of the Mobile Metallo-beta-Lactamase AIM-1 from Pseudomonas aeruginosa: Insights into Antibiotic Binding and the role of Gln157
分子名称: CALCIUM ION, MAGNESIUM ION, METALLO-BETA-LACTAMASE AIM-1, ...
著者Leiros, H.-K.S, Borra, P.S, Brandsdal, B.O, Edvardsen, K.S.W, Spencer, J, Walsh, T.R, Samuelsen, O.
登録日2012-06-06
公開日2012-06-20
最終更新日2012-08-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the Mobile Metallo-Beta-Lactamase Aim-1 from Pseudomonas Aeruginosa: Insights Into Antibiotic Binding and the Role of Gln157.
Antimicrob.Agents Chemother., 56, 2012
5DPX
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BU of 5dpx by Molmil
1,2,4-Triazole-3-thione compounds as inhibitors of L1, di-zinc metallo-beta-lactamases.
分子名称: 5-(2-methylphenyl)-3H-1,2,4-triazole-3-thione, Metallo-beta-lactamase L1 type 3, SULFATE ION, ...
著者Nauton, L, Garau, G, Khan, R, Dideberg, O.
登録日2015-09-14
公開日2017-01-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献1,2,4-Triazole-3-thione Compounds as Inhibitors of Dizinc Metallo-beta-lactamases.
ChemMedChem, 12, 2017
5HIQ
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BU of 5hiq by Molmil
Crystal Structure of PQS Response Protein PqsE in Complex with 2-(1H-pyrrol-1-yl)benzoic acid
分子名称: 2-pyrrol-1-ylbenzoic acid, FE (III) ION, PqsE
著者Witzgall, F, Blankenfeldt, W.
登録日2016-01-12
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
Acs Chem.Biol., 11, 2016
2Y8A
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BU of 2y8a by Molmil
VIM-7 with Oxidised. Structural and computational investigations of VIM-7: Insights into the substrate specificity of VIM metallo-beta- lactamases
分子名称: MAGNESIUM ION, METALLO-B-LACTAMASE, UNKNOWN ATOM OR ION, ...
著者Saradhi, P, Leiros, H.-K.S, Ahmad, R, Spencer, J, Leiros, I, Walsh, T.R, Sundsfjord, A, Samuelsen, O.
登録日2011-02-03
公開日2011-06-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structural and Computational Investigations of Vim- 7: Insights Into the Substrate Specificity of Vim Metallo-Beta-Lactamases
J.Mol.Biol., 411, 2011
4O98
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BU of 4o98 by Molmil
Crystal structure of Pseudomonas oleovorans PoOPH mutant H250I/I263W
分子名称: ZINC ION, organophosphorus hydrolase
著者Luo, X.J, Kong, X.D, Zhao, J, Chen, Q, Zhou, J.H, Xu, J.H.
登録日2014-01-02
公開日2014-12-03
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.251 Å)
主引用文献Switching a newly discovered lactonase into an efficient and thermostable phosphotriesterase by simple double mutations His250Ile/Ile263Trp
Biotechnol.Bioeng., 111, 2014
3Q6V
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BU of 3q6v by Molmil
Crystal Structure of Serratia fonticola Sfh-I: glycerol complex
分子名称: Beta-lactamase, GLYCEROL, ZINC ION
著者Fonseca, F, Saavedra, M.J, Correia, A, Spencer, J.
登録日2011-01-03
公開日2011-07-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Crystal structure of Serratia fonticola Sfh-I: activation of the nucleophile in mono-zinc metallo-beta-lactamases.
J.Mol.Biol., 411, 2011
5HH5
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BU of 5hh5 by Molmil
Crystal structure of B3 metallo-beta-lactamase L1 complexed with a phosphonate-based inhibitor
分子名称: 6-(phosphonomethyl)pyridine-2-carboxylic acid, GLYCEROL, Metallo-beta-lactamase L1, ...
著者Hinchliffe, P, Spencer, J.
登録日2016-01-09
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Kinetic Studies of the Potent Inhibition of Metallo-beta-lactamases by 6-Phosphonomethylpyridine-2-carboxylates.
Biochemistry, 57, 2018
4PVT
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BU of 4pvt by Molmil
Crystal Structure of VIM-2 metallo-beta-lactamase in complex with ML302F
分子名称: (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Aik, W.S, Brem, J, McDonough, M.A, Schofield, C.J.
登録日2014-03-18
公開日2014-11-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Rhodanine hydrolysis leads to potent thioenolate mediated metallo-beta-lactamase inhibition.
Nat.Chem., 6, 2014
5EV6
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BU of 5ev6 by Molmil
Crystal structure of the native, di-zinc metallo-beta-lactamase IMP-1
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Beta-lactamase IMP-1, ...
著者Spencer, J, Hinchliffe, P.
登録日2015-11-19
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.984 Å)
主引用文献Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes.
Proc.Natl.Acad.Sci.USA, 113, 2016
4PVO
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BU of 4pvo by Molmil
Crystal Structure of VIM-2 metallo-beta-lactamase in complex with ML302 and ML302F
分子名称: (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase class B VIM-2, DIMETHYL SULFOXIDE, ...
著者Aik, W.S, Brem, J, McDonough, M.A, Schofield, C.J.
登録日2014-03-18
公開日2014-11-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Rhodanine hydrolysis leads to potent thioenolate mediated metallo-beta-lactamase inhibition.
Nat.Chem., 6, 2014
5EVK
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BU of 5evk by Molmil
Crystal structure of the metallo-beta-lactamase L1 in complex with the bisthiazolidine inhibitor L-CS319
分子名称: (3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2015-11-19
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.627 Å)
主引用文献Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes.
Proc.Natl.Acad.Sci.USA, 113, 2016
5EWA
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BU of 5ewa by Molmil
Crystal structure of the metallo-beta-lactamase IMP-1 in complex with the bisthiazolidine inhibitor L-VC26
分子名称: (3~{R},5~{R},7~{a}~{S})-2,2-dimethyl-5-(sulfanylmethyl)-3,5,7,7~{a}-tetrahydro-[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase IMP-1, ...
著者Kosmopoulou, M, Hinchliffe, P, Spencer, J.
登録日2015-11-20
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes.
Proc.Natl.Acad.Sci.USA, 113, 2016
2ZWR
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BU of 2zwr by Molmil
Crystal structure of TTHA1623 from thermus thermophilus HB8
分子名称: Metallo-beta-lactamase superfamily protein, ZINC ION
著者Yamamura, A, Okada, A, Kameda, Y, Ohtsuka, J, Nakagawa, N, Ebihara, A, Yokoyama, S, Kuramitsu, S, Nagata, K, Tanokura, M.
登録日2008-12-17
公開日2009-10-06
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of TTHA1623, a novel metallo-beta-lactamase superfamily protein from Thermus thermophilus HB8
Acta Crystallogr.,Sect.F, 65, 2009
5EVB
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BU of 5evb by Molmil
Crystal structure of the metallo-beta-lactamase L1 in complex with the bisthiazolidine inhibitor D-CS319
分子名称: (3S,5S,7aR)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2015-11-19
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.841 Å)
主引用文献Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes.
Proc.Natl.Acad.Sci.USA, 113, 2016
5EW0
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BU of 5ew0 by Molmil
Crystal structure of the metallo-beta-lactamase Sfh-I in complex with the bisthiazolidine inhibitor L-CS319
分子名称: (3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Beta-lactamase, ZINC ION
著者Hinchliffe, P, Tooke, C.L, Spencer, J.
登録日2015-11-20
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes.
Proc.Natl.Acad.Sci.USA, 113, 2016
5EVD
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BU of 5evd by Molmil
Crystal structure of the metallo-beta-lactamase L1 in complex with the bisthiazolidine inhibitor D-VC26
分子名称: (3S,5S,7aR)-2,2-dimethyl-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2015-11-19
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes.
Proc.Natl.Acad.Sci.USA, 113, 2016
5EV8
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BU of 5ev8 by Molmil
Crystal structure of the metallo-beta-lactamase IMP-1 in complex with the bisthiazolidine inhibitor D-CS319
分子名称: (3S,5S,7aR)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase IMP-1, ...
著者Hinchliffe, P, Spencer, J.
登録日2015-11-19
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes.
Proc.Natl.Acad.Sci.USA, 113, 2016
2ZZI
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BU of 2zzi by Molmil
Crystal structure of TTHA1623 in a di-iron-bound form
分子名称: ACETATE ION, FE (III) ION, Metallo-beta-lactamase superfamily protein
著者Yamamura, A, Okada, A, Kameda, Y, Ohtsuka, J, Nakagawa, N, Ebihara, A, Yokoyama, S, Kuramitsu, S, Nagata, K, Tanokura, M.
登録日2009-02-16
公開日2010-01-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of TTHA1623, a novel metallo-beta-lactamase superfamily protein from Thermus thermophilus HB8
Acta Crystallogr.,Sect.F, 65, 2009
2M5C
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BU of 2m5c by Molmil
Solution Structure of the Bacillus cereus Metallo-Beta-Lactamase BcII
分子名称: Beta-lactamase 2, ZINC ION
著者Karsisiotis, A.I, Damblon, C.F, Roberts, G.C.K.
登録日2013-02-20
公開日2013-10-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structures of the Bacillus cereus metallo-beta-lactamase BcII and its complex with the broad spectrum inhibitor R-thiomandelic acid.
Biochem.J., 456, 2013
2M5D
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BU of 2m5d by Molmil
Solution Structure of the Bacillus cereus Metallo-Beta-Lactamase BcII in Complex with R-Thiomandelic Acid
分子名称: (2R)-phenyl(sulfanyl)ethanoic acid, Beta-lactamase 2, ZINC ION
著者Karsisiotis, A.I, Damblon, C.F, Roberts, G.C.K.
登録日2013-02-20
公開日2013-10-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structures of the Bacillus cereus metallo-beta-lactamase BcII and its complex with the broad spectrum inhibitor R-thiomandelic acid.
Biochem.J., 456, 2013
3SFP
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BU of 3sfp by Molmil
Crystal Structure of the Mono-Zinc-boundform of New Delhi Metallo-beta-Lactamase-1 from Klebsiella pneumoniae
分子名称: Beta-lactamase NDM-1, CHLORIDE ION, CITRIC ACID, ...
著者Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, J, Binkowski, T.A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
登録日2011-06-13
公開日2011-06-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structure of Apo- and Monometalated Forms of NDM-1 A Highly Potent Carbapenem-Hydrolyzing Metallo-beta-Lactamase
Plos One, 6, 2011
4RAM
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BU of 4ram by Molmil
Crystal Structure of New Delhi Metallo-beta-Lactamase-1 Mutant M67V Complexed with Hydrolyzed Penicillin G
分子名称: Beta-lactamase NDM-1, CHLORIDE ION, OPEN FORM - PENICILLIN G, ...
著者Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, G, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
登録日2014-09-10
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.495 Å)
主引用文献Crystal Structure of New Delhi Metallo-beta-Lactamase-1 Mutant M67V Complexed with Hydrolyzed Penicillin G
To be Published
5FQA
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BU of 5fqa by Molmil
Crystal Structure of Bacillus cereus Metallo-Beta-Lactamase II
分子名称: 1,2-ETHANEDIOL, BETA-LACTAMASE 2, FE (III) ION, ...
著者Cahill, S.T, Brem, J, McDonough, M.A, Schofield, C.J.
登録日2015-12-08
公開日2016-08-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Use of ferrous iron by metallo-beta-lactamases.
J. Inorg. Biochem., 163, 2016
4RBS
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BU of 4rbs by Molmil
Crystal Structure of New Delhi Metallo-beta-Lactamase-1 in the Complex with Hydrolyzed Meropenem
分子名称: (2S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3-methyl-2H-pyrro le-5-carboxylic acid, ACETIC ACID, Beta-lactamase NDM-1, ...
著者Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, G, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
登録日2014-09-12
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.405 Å)
主引用文献Crystal Structure of New Delhi Metallo-beta-Lactamase-1 in the Complex with Hydrolyzed Meropenem
To be Published
5FQC
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BU of 5fqc by Molmil
Crystal structure of the metallo-beta-lactamase VIM-2 with 2C
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, DIMETHYL SULFOXIDE, ...
著者Brem, J, Cain, R, McDonough, M.A, Clifton, I.J, Fishwick, C.W.G, Schofield, C.J.
登録日2015-12-08
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.449 Å)
主引用文献Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates.
Nat Commun, 7, 2016

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