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8KEM
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BU of 8kem by Molmil
PKS domains-fused AmpC EC2
Descriptor: SDR family NAD(P)-dependent oxidoreductase,Beta-lactamase
Authors:Son, S.Y, Bae, D.W, Cha, S.S.
Deposit date:2023-08-12
Release date:2024-06-05
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.76998281 Å)
Cite:Structural investigation of the docking domain assembly from trans-AT polyketide synthases.
Structure, 2024
8JB7
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BU of 8jb7 by Molmil
Crystal structure of CMY-185
Descriptor: Beta-lactamase, SULFATE ION
Authors:Kawai, A, Doi, Y.
Deposit date:2023-05-08
Release date:2023-12-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural insights into the molecular mechanism of high-level ceftazidime-avibactam resistance conferred by CMY-185.
Mbio, 15, 2024
8JB8
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BU of 8jb8 by Molmil
Crystal structure of CMY-185 complex with ceftazidime
Descriptor: ACYLATED CEFTAZIDIME, Beta-lactamase
Authors:Kawai, A, Doi, Y.
Deposit date:2023-05-08
Release date:2023-12-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights into the molecular mechanism of high-level ceftazidime-avibactam resistance conferred by CMY-185.
Mbio, 15, 2024
5ZYB
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BU of 5zyb by Molmil
Crystal structure of MOX-1 complexed with a boronic acid transition state inhibitor S02030
Descriptor: 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid, ACETATE ION, Beta-lactamase, ...
Authors:Shimizu-Ibuka, A, Furukawa, N.
Deposit date:2018-05-23
Release date:2019-06-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Crystal structure of MOX-1 complexed with a boronic acid transition state inhibitor S02030
To Be Published
5ZFL
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BU of 5zfl by Molmil
Crystal structure of beta-lactamase PenP mutant E166Y
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase
Authors:Pan, X, Zhao, Y.
Deposit date:2018-03-06
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The hydrolytic water molecule of Class A beta-lactamase relies on the acyl-enzyme intermediate ES* for proper coordination and catalysis.
Sci Rep, 10, 2020
5ZG6
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BU of 5zg6 by Molmil
Crystal structure of beta-lactamase PenP mutant-E166Y in complex with cephaloridine as "post-acylation" intermediate
Descriptor: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase
Authors:Pan, X, Zhao, Y.
Deposit date:2018-03-07
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:The hydrolytic water molecule of Class A beta-lactamase relies on the acyl-enzyme intermediate ES* for proper coordination and catalysis.
Sci Rep, 10, 2020
5ZH8
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BU of 5zh8 by Molmil
Crystal Structure of FmtA from Staphylococcus aureus at 2.58 A
Descriptor: GLYCEROL, Protein FmtA
Authors:Dalal, V, Kumar, P, Golemi-Kotra, D, Kumar, P.
Deposit date:2018-03-12
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Repurposing an Ancient Protein Core Structure: Structural Studies on FmtA, a Novel Esterase of Staphylococcus aureus.
J.Mol.Biol., 431, 2019
5ZFT
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BU of 5zft by Molmil
Crystal structure of beta-lactamase PenP mutant-E166Y in complex with cephaloridine as "pre-deacylation" intermediate
Descriptor: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase
Authors:Pan, X, Zhao, Y.
Deposit date:2018-03-07
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The hydrolytic water molecule of Class A beta-lactamase relies on the acyl-enzyme intermediate ES* for proper coordination and catalysis.
Sci Rep, 10, 2020
5ZA2
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BU of 5za2 by Molmil
Fox-4 beta-lactamase complexed with avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase, ...
Authors:Nukaga, M, Hoshino, T, Papp-Wallace, K.M, Bonomo, R.A.
Deposit date:2018-02-06
Release date:2018-03-07
Last modified:2018-05-09
Method:X-RAY DIFFRACTION (1.503 Å)
Cite:Probing the Mechanism of Inactivation of the FOX-4 Cephamycinase by Avibactam
Antimicrob. Agents Chemother., 62, 2018
3E2K
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BU of 3e2k by Molmil
Crystal Structure of the KPC-2 Beta-lactamase/Beta-lactamase inhibitor protein (BLIP)
Descriptor: Beta-lactamase inhibitory protein, Carbapenemase
Authors:Hanes, M.S, Jude, K.M, Berger, J.M, Bonomo, R.A, Handel, T.M.
Deposit date:2008-08-05
Release date:2009-08-04
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and biochemical characterization of the interaction between KPC-2 beta-lactamase and beta-lactamase inhibitor protein
Biochemistry, 48, 2009
5UJO
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BU of 5ujo by Molmil
X-Ray Crystal Structure of Ruthenocenyl-7-Aminodesacetoxycephalosporanic Acid Covalent Acyl-Enyzme Complex with CTX-M-14 E166A Beta-Lactamase
Descriptor: Beta-lactamase, POTASSIUM ION, ruthenocenyl-7-aminodesacetoxycephalosporanic acid, ...
Authors:Lewandowski, E.M, Chen, Y.
Deposit date:2017-01-18
Release date:2017-02-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Antibacterial Properties of Metallocenyl-7-ADCA Derivatives and Structure in Complex with CTX-Mbeta-Lactamase.
Organometallics, 36, 2017
5UL8
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BU of 5ul8 by Molmil
Apo KPC-2 beta-lactamase crystal structure at 1.15 Angstrom resolution
Descriptor: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, SULFATE ION
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2017-01-24
Release date:2017-04-26
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Molecular Basis of Substrate Recognition and Product Release by the Klebsiella pneumoniae Carbapenemase (KPC-2).
J. Med. Chem., 60, 2017
6W33
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BU of 6w33 by Molmil
Crystal Structure of Class A Beta-lactamase from Bacillus cereus in the Complex with the Beta-lactamase Inhibitor Clavulanate
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase, ...
Authors:Kim, Y, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-03-08
Release date:2020-03-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of Class A Beta-lactamase from Bacillus cereus in the Complex with the Beta-lactamase Inhibitor Clavulanate
To Be Published
1JTD
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BU of 1jtd by Molmil
Crystal structure of beta-lactamase inhibitor protein-II in complex with TEM-1 beta-lactamase
Descriptor: CALCIUM ION, TEM-1 beta-lactamase, beta-lactamase inhibitor protein II
Authors:Lim, D.C, Park, H.U, De Castro, L, Kang, S.G, Lee, H.S, Jensen, S, Lee, K.J, Strynadka, N.C.J.
Deposit date:2001-08-20
Release date:2001-10-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure and kinetic analysis of beta-lactamase inhibitor protein-II in complex with TEM-1 beta-lactamase.
Nat.Struct.Biol., 8, 2001
1JWP
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BU of 1jwp by Molmil
Structure of M182T mutant of TEM-1 beta-lactamase
Descriptor: BETA-LACTAMASE TEM, PHOSPHATE ION
Authors:Wang, X, Minasov, G, Shoichet, B.K.
Deposit date:2001-09-04
Release date:2002-06-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Evolution of an antibiotic resistance enzyme constrained by stability and activity trade-offs.
J.Mol.Biol., 320, 2002
5KKF
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BU of 5kkf by Molmil
Crystal structure of TEM1 beta-lactamase mutant I263L
Descriptor: Beta-lactamase TEM
Authors:Roose, B.W, Dmochowski, I.J.
Deposit date:2016-06-21
Release date:2017-06-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:A Structural Basis for129Xe Hyper-CEST Signal in TEM-1 beta-Lactamase.
Chemphyschem, 2018
5KMU
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BU of 5kmu by Molmil
CTX-M-9 beta lactamase mutant - T165W
Descriptor: Beta-lactamase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Latallo, M, Faham, S, Kasson, P.M.
Deposit date:2016-06-27
Release date:2017-08-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Predicting allosteric mutants that increase activity of a major antibiotic resistance enzyme.
Chem Sci, 8, 2017
7ZPV
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BU of 7zpv by Molmil
Room temperature SSX crystal structure of CTX-M-14
Descriptor: Beta-lactamase, SULFATE ION
Authors:Oberthuer, D, Perbandt, M, Prester, A, Rohde, H, Betzel, C, Yefanov, O.
Deposit date:2022-04-29
Release date:2022-11-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.
Iucrj, 9, 2022
4IBR
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BU of 4ibr by Molmil
Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying G238S/E104K mutations
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, TEM-94 ES-beta-lactamase
Authors:Dellus-Gur, E, Toth-Petroczy, A, Elias, M, Tawfik, D.S.
Deposit date:2012-12-09
Release date:2013-04-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:What Makes a Protein Fold Amenable to Functional Innovation? Fold Polarity and Stability Trade-offs.
J.Mol.Biol., 425, 2013
4IBX
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BU of 4ibx by Molmil
Crystal structure of stabilized TEM-1 beta-lactamase variant v.13
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase TEM, CALCIUM ION, ...
Authors:Dellus-Gur, E, Toth-Petroczy, A, Elias, M, Tawfik, D.S.
Deposit date:2012-12-09
Release date:2013-04-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:What Makes a Protein Fold Amenable to Functional Innovation? Fold Polarity and Stability Trade-offs.
J.Mol.Biol., 425, 2013
1TEM
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BU of 1tem by Molmil
6 ALPHA HYDROXYMETHYL PENICILLOIC ACID ACYLATED ON THE TEM-1 BETA-LACTAMASE FROM ESCHERICHIA COLI
Descriptor: 2-(1-CARBOXY-2-HYDROXY-ETHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, TEM-1 BETA LACTAMASE
Authors:Maveyraud, L, Massova, I, Samama, J.P, Mobashery, S.
Deposit date:1996-05-28
Release date:1997-05-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of 6Alpha-Hydroxymethylpenicillanate Complexed to the Tem-1 Beta-Lactamase from Escherichia Coli: Evidence on the Mechanism of Action of a Novel Inhibitor Designed by a Computer-Aided Process
J.Am.Chem.Soc., 118, 1996
4ID4
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BU of 4id4 by Molmil
Crystal structure of chimeric beta-lactamase cTEM-17m
Descriptor: Beta-lactamase TEM, Beta-lactamase PSE-4, CHLORIDE ION, ...
Authors:Park, J, Gobeil, S, Pelletier, J.N, Berghuis, A.M.
Deposit date:2012-12-11
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Maintenance of Native-like Protein Dynamics May Not Be Required for Engineering Functional Proteins.
Chem.Biol., 21, 2014
1TDG
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BU of 1tdg by Molmil
Complex of S130G SHV-1 beta-lactamase with tazobactam
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase SHV-1, ...
Authors:Sun, T, Bethel, C.R, Bonomo, R.A, Knox, J.R.
Deposit date:2004-05-21
Release date:2004-11-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibitor-resistant class A beta-lactamases: consequences of the Ser130-to-Gly mutation seen in Apo and tazobactam structures of the SHV-1 variant
Biochemistry, 43, 2004
1TDL
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BU of 1tdl by Molmil
Structure of Ser130Gly SHV-1 beta-lactamase
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
Authors:Sun, T, Bethel, C.R, Bonomo, R.A, Knox, J.R.
Deposit date:2004-05-23
Release date:2004-11-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibitor-resistant class A beta-lactamases: consequences of the Ser130-to-Gly mutation seen in Apo and tazobactam structures of the SHV-1 variant
Biochemistry, 43, 2004
4QU3
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BU of 4qu3 by Molmil
GES-2 ertapenem acyl-enzyme complex
Descriptor: (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase GES-2, ...
Authors:Stewart, N.K, Smith, C.A, Frase, H, Black, D.J, Vakulenko, S.B.
Deposit date:2014-07-10
Release date:2014-12-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.402 Å)
Cite:Kinetic and Structural Requirements for Carbapenemase Activity in GES-Type beta-Lactamases.
Biochemistry, 54, 2015

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