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3D4F
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BU of 3d4f by Molmil
SHV-1 beta-lactamase complex with LN1-255
Descriptor: (3R)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
Authors:Pattanaik, P, Bethel, C.R, Hujer, A.M, Bonomo, R.A, Buynak, J.D, van den Akker, F.
Deposit date:2008-05-14
Release date:2009-02-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Strategic Design of an Effective {beta}-Lactamase Inhibitor: LN-1-255, A 6-ALKYLIDENE-2'-SUBSTITUTED PENICILLIN SULFONE
J.Biol.Chem., 284, 2009
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
1TDG
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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
2G2W
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BU of 2g2w by Molmil
Crystal Structure of the SHV D104K Beta-lactamase/Beta-lactamase inhibitor protein (BLIP) complex
Descriptor: Beta-lactamase SHV-1, Beta-lactamase inhibitory protein
Authors:Reynolds, K.A, Thomson, J.M, Corbett, K.D, Bethel, C.R, Berger, J.M, Kirsch, J.F, Bonomo, R.A, Handel, T.M.
Deposit date:2006-02-16
Release date:2006-07-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Computational Characterization of the SHV-1 beta-Lactamase-beta-Lactamase Inhibitor Protein Interface.
J.Biol.Chem., 281, 2006
2G2U
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BU of 2g2u by Molmil
Crystal Structure of the SHV-1 Beta-lactamase/Beta-lactamase inhibitor protein (BLIP) complex
Descriptor: Beta-lactamase SHV-1, Beta-lactamase inhibitory protein
Authors:Reynolds, K.A, Thomson, J.M, Corbett, K.D, Bethel, C.R, Berger, J.M, Kirsch, J.F, Bonomo, R.A, Handel, T.M.
Deposit date:2006-02-16
Release date:2006-07-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and Computational Characterization of the SHV-1 beta-Lactamase-beta-Lactamase Inhibitor Protein Interface.
J.Biol.Chem., 281, 2006
3FV7
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BU of 3fv7 by Molmil
OXA-24 beta-lactamase complex with SA4-44 inhibitor
Descriptor: (2S)-2-[[2-methanoyl-7-(methoxycarbonylamino)indolizin-3-yl]amino]-3-methyl-3-sulfino-butanoic acid, Beta-lactamase OXA-24
Authors:Bou, G, Santillana, E, Sheri, A, Beceiro, A, Sampson, J.M, Kalp, M, Bethel, C.R, Distler, A.M, Drawz, S.M, Pagadala, S.R, Van den Akker, F, Bonomo, R.A, Romero, A, Buynak, J.D.
Deposit date:2009-01-15
Release date:2010-02-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, synthesis, and crystal structures of 6-alkylidene-2'-substituted penicillanic acid sulfones as potent inhibitors of Acinetobacter baumannii OXA-24 carbapenemase.
J.Am.Chem.Soc., 132, 2010
2OV5
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BU of 2ov5 by Molmil
Crystal structure of the KPC-2 carbapenemase
Descriptor: BICINE, Carbapenemase
Authors:Ke, W, Bethel, C.R, Thomson, J.M, Bonomo, R.A, van den Akker, F.
Deposit date:2007-02-13
Release date:2007-05-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of KPC-2: Insights into Carbapenemase Activity in Class A beta-Lactamases.
Biochemistry, 46, 2007
5WIG
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BU of 5wig by Molmil
Structure of New Delhi Metallo-Beta-lactamase 4 (NDM-4)
Descriptor: NDM-4, ZINC ION
Authors:VanPelt, J, Williams, C, Page, R.C.
Deposit date:2017-07-19
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Clinical Variants of New Delhi Metallo-beta-Lactamase Are Evolving To Overcome Zinc Scarcity.
Acs Infect Dis., 3, 2017
6VOT
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BU of 6vot by Molmil
Crystal structure of Pseudomonas aerugonisa PBP3 complexed to gamma-lactam YU253434
Descriptor: 1-[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6 -dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1H-pyrazole-3-carboxylic acid, Peptidoglycan D,D-transpeptidase FtsI
Authors:van den Akker, F.
Deposit date:2020-01-31
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A gamma-Lactam Siderophore Antibiotic Effective against Multidrug-Resistant Gram-Negative Bacilli.
J.Med.Chem., 63, 2020
6VJE
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BU of 6vje by Molmil
Crystal structure of Pseudomonas aeruginosa penicillin-binding protein 3 (PBP3) complexed with ceftobiprole
Descriptor: (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyr rolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, CHLORIDE ION, Peptidoglycan D,D-transpeptidase FtsI
Authors:van den Akker, F, Kumar, V.
Deposit date:2020-01-15
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural Insights into Ceftobiprole Inhibition of Pseudomonas aeruginosa Penicillin-Binding Protein 3.
Antimicrob.Agents Chemother., 64, 2020
4GDB
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BU of 4gdb by Molmil
SHV-1 in complex with 4H-pyrazolo[1,5-c][1,3]thiazole containing penem inhibitor
Descriptor: (7R)-6-formyl-7-(4H-pyrazolo[1,5-c][1,3]thiazol-2-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase SHV-1, ...
Authors:Ke, W, van den Akker, F.
Deposit date:2012-07-31
Release date:2013-07-31
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structures of SHV-1 beta-lactamase with penem and penam sulfone inhibitors that form cyclic intermediates stabilized by carbonyl conjugation
Plos One, 7, 2012
4GD8
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BU of 4gd8 by Molmil
SHV-1 beta-lactamase in complex with penam sulfone SA3-53
Descriptor: (2S,3R)-4-(2-aminoethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
Authors:Pattanaik, P, van den Akker, F.
Deposit date:2012-07-31
Release date:2013-07-31
Last modified:2013-08-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of SHV-1 beta-lactamase with penem and penam sulfone inhibitors that form cyclic intermediates stabilized by carbonyl conjugation
Plos One, 7, 2012
6MPQ
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BU of 6mpq by Molmil
1.95 Ang crystal structure of OXA-24/40 beta-lactamase in complex the inhibitor ETX2514
Descriptor: (2S,5R)-1-formyl-3-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide, Beta-lactamase, CHLORIDE ION
Authors:van den Akker, F, Kumar, V.
Deposit date:2018-10-08
Release date:2019-02-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Targeting Multidrug-ResistantAcinetobacterspp.: Sulbactam and the Diazabicyclooctenone beta-Lactamase Inhibitor ETX2514 as a Novel Therapeutic Agent.
MBio, 10, 2019
7BDS
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BU of 7bds by Molmil
Structure of CTX-M-15 crystallised in the presence of tazobactam
Descriptor: Beta-lactamase, CHLORIDE ION, SULFATE ION
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2020-12-22
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.91 Å)
Cite:Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 13, 2022
7BDR
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BU of 7bdr by Molmil
Structure of CTX-M-15 E166Q mutant crystallised in the presence of tazobactam (AAI101)
Descriptor: Beta-lactamase, CHLORIDE ION, SODIUM ION, ...
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2020-12-22
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.91 Å)
Cite:Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 13, 2022
7TB7
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BU of 7tb7 by Molmil
Crystal structure of D179N KPC-2 beta-lactamase
Descriptor: CITRIC ACID, Carbapenem-hydrolyzing beta-lactamase KPC
Authors:van den Akker, F, Alsenani, T.
Deposit date:2021-12-21
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Structural Characterization of the D179N and D179Y Variants of KPC-2 beta-Lactamase: Omega-Loop Destabilization as a Mechanism of Resistance to Ceftazidime-Avibactam.
Antimicrob.Agents Chemother., 66, 2022
7TBX
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BU of 7tbx by Molmil
Crystal structure of D179Y KPC-2 beta-lactamase
Descriptor: Carbapenem-hydrolyzing beta-lactamase KPC
Authors:van den Akker, F, Alsenani, T.
Deposit date:2021-12-22
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Structural Characterization of the D179N and D179Y Variants of KPC-2 beta-Lactamase: Omega-Loop Destabilization as a Mechanism of Resistance to Ceftazidime-Avibactam.
Antimicrob.Agents Chemother., 66, 2022
7TC1
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BU of 7tc1 by Molmil
Crystal structure of D179N KPC-2 beta-lactamase in complex with vaborbactam
Descriptor: Carbapenem-hydrolyzing beta-lactamase KPC, PHOSPHATE ION, Vaborbactam
Authors:van den Akker, F, Alsenani, T.
Deposit date:2021-12-22
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Structural Characterization of the D179N and D179Y Variants of KPC-2 beta-Lactamase: Omega-Loop Destabilization as a Mechanism of Resistance to Ceftazidime-Avibactam.
Antimicrob.Agents Chemother., 66, 2022
4R3B
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BU of 4r3b by Molmil
Crystal structure of SHV-1 b-lactamase in complex with 6b-(hydroxymethyl)penicillanic acid sulfone PSR-283A
Descriptor: Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, N-[(1E)-2-formyl-3-hydroxyprop-1-en-1-yl]-3-[(S)-sulfino]-D-valine
Authors:Rodkey, E.A, van den Akker, F.
Deposit date:2014-08-14
Release date:2015-01-21
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.366 Å)
Cite:Detecting a Quasi-stable Imine Species on the Reaction Pathway of SHV-1 beta-Lactamase and 6 beta-(Hydroxymethyl)penicillanic Acid Sulfone.
Biochemistry, 54, 2015
4X6T
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BU of 4x6t by Molmil
M.tuberculosis betalactamase complexed with inhibitor EC19
Descriptor: 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
Authors:Hazra, S.
Deposit date:2014-12-09
Release date:2015-12-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Inhibiting the beta-Lactamase of Mycobacterium tuberculosis (Mtb) with Novel Boronic Acid Transition-State Inhibitors (BATSIs).
ACS Infect Dis, 1, 2015
7UTB
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BU of 7utb by Molmil
KPC-2 CARBAPENEMASE IN COMPLEX WITH THE BORONIC ACID INHIBITOR MB_076
Descriptor: Carbapenem-hydrolyzing beta-lactamase KPC, [(1~{R})-1-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]-2-(4-carboxy-1,2,3-triazol-1-yl)ethyl]-$l^{3}-oxidanyl-bis(oxidanyl)boron
Authors:van den Akker, F, Alsenani, T.A.
Deposit date:2022-04-26
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Boronic Acid Transition State Inhibitors as Potent Inactivators of KPC and CTX-M beta-Lactamases: Biochemical and Structural Analyses.
Antimicrob.Agents Chemother., 67, 2023
2ZD8
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BU of 2zd8 by Molmil
SHV-1 class A beta-lactamase complexed with meropenem
Descriptor: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
Authors:Nukaga, M, Knox, J.R, Hujer, A, Bonomo, R.A.
Deposit date:2007-11-20
Release date:2008-09-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Inhibition of class A beta-lactamases by carbapenems: crystallographic observation of two conformations of meropenem in SHV-1.
J.Am.Chem.Soc., 130, 2008
5WIH
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BU of 5wih by Molmil
Structure of New Delhi Metallo-Beta-lactamase 12 (NDM-12)
Descriptor: Metallo-beta-lactamase NDM-12, ZINC ION
Authors:VanPelt, J, Williams, C, Page, R.C.
Deposit date:2017-07-19
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Clinical Variants of New Delhi Metallo-beta-Lactamase Are Evolving To Overcome Zinc Scarcity.
Acs Infect Dis., 3, 2017
6OP6
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BU of 6op6 by Molmil
Structure of VIM-20 in the reduced state
Descriptor: Metallo-beta-lactamase VIM-20, SODIUM ION, ZINC ION
Authors:Page, R.C, Shurina, B.A, Montgomery, J.S, Orischak, M.G, Nix, J.C.
Deposit date:2019-04-24
Release date:2019-10-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A Single Salt Bridge in VIM-20 Increases Protein Stability and Antibiotic Resistance under Low-Zinc Conditions.
Mbio, 10, 2019
6OP7
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Structure of oxidized VIM-20
Descriptor: ACETATE ION, Metallo-beta-lactamase VIM-20, ZINC ION
Authors:Page, R.C, Shurina, B.A, Montgomery, J.S, Orischak, M.G, Nix, J.C.
Deposit date:2019-04-24
Release date:2019-10-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:A Single Salt Bridge in VIM-20 Increases Protein Stability and Antibiotic Resistance under Low-Zinc Conditions.
Mbio, 10, 2019

 

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