4UBQ
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![BU of 4ubq by Molmil](/molmil-images/mine/4ubq) | Crystal Structure of IMP-2 Metallo-beta-Lactamase from Acinetobacter spp. | Descriptor: | ACETATE ION, Beta-lactamase, ZINC ION | Authors: | Yamaguchi, Y, Matsueda, S, Matsunaga, K, Takashio, N, Toma-Fukai, S, Yamagata, Y, Shibata, N, Wachino, J, Shibayama, K, Arakawa, Y, Kurosaki, H. | Deposit date: | 2014-08-13 | Release date: | 2014-12-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of IMP-2 metallo-beta-lactamase from Acinetobacter spp.: comparison of active-site loop structures between IMP-1 and IMP-2. Biol.Pharm.Bull., 38, 2015
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2DOO
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![BU of 2doo by Molmil](/molmil-images/mine/2doo) | The structure of IMP-1 complexed with the detecting reagent (DansylC4SH) by a fluorescent probe | Descriptor: | BETA-LACTAMASE IMP-1, N-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]-3-SULFANYLPROPANAMIDE, ZINC ION | Authors: | Kurosaki, H, Yamaguchi, Y, Yasuzawa, H, Jin, W, Yamagata, Y, Arakawa, Y. | Deposit date: | 2006-05-01 | Release date: | 2006-11-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Probing, inhibition, and crystallographic characterization of metallo-beta-lactamase (IMP-1) with fluorescent agents containing dansyl and thiol groups Chemmedchem, 1, 2006
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3ANO
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![BU of 3ano by Molmil](/molmil-images/mine/3ano) | Crystal Structure of a Novel Diadenosine 5',5'''-P1,P4-Tetraphosphate Phosphorylase from Mycobacterium tuberculosis H37Rv | Descriptor: | AP-4-A phosphorylase, PHOSPHATE ION, TETRAETHYLENE GLYCOL | Authors: | Mori, S, Shibayama, K, Wachino, J, Arakawa, Y. | Deposit date: | 2010-09-06 | Release date: | 2011-05-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.894 Å) | Cite: | Structural insights into the novel diadenosine 5',5-P1,P4-tetraphosphate phosphorylase from Mycobacterium tuberculosis H37Rv J.Mol.Biol., 410, 2011
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1VGN
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![BU of 1vgn by Molmil](/molmil-images/mine/1vgn) | Structure-based design of the irreversible inhibitors to metallo--lactamase (IMP-1) | Descriptor: | 3-OXO-3-[(3-OXOPROPYL)SULFANYL]PROPANE-1-THIOLATE, ACETIC ACID, Beta-lactamase IMP-1, ... | Authors: | Kurosaki, H, Yamaguchi, Y, Higashi, T, Soga, K, Matsueda, S, Misumi, S, Yamagata, Y, Arakawa, Y, Goto, M. | Deposit date: | 2004-04-27 | Release date: | 2005-06-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Irreversible Inhibition of Metallo-beta-lactamase (IMP-1) by 3-(3-Mercaptopropionylsulfanyl)propionic Acid Pentafluorophenyl Ester Angew.Chem.Int.Ed.Engl., 44, 2005
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5AXO
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![BU of 5axo by Molmil](/molmil-images/mine/5axo) | Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Meropenem | Descriptor: | (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Metallo-beta-lactamase, ... | Authors: | Wachino, J, Arakawa, Y. | Deposit date: | 2015-07-31 | Release date: | 2016-05-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Meropenem To Be Published
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5B1U
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![BU of 5b1u by Molmil](/molmil-images/mine/5b1u) | Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Imipenem | Descriptor: | (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, Metallo-beta-lactamase, SODIUM ION, ... | Authors: | Wachino, J, Arakawa, Y. | Deposit date: | 2015-12-20 | Release date: | 2016-05-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Imipenem To be published
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5AXR
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![BU of 5axr by Molmil](/molmil-images/mine/5axr) | |
5AYA
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![BU of 5aya by Molmil](/molmil-images/mine/5aya) | |
5B15
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![BU of 5b15 by Molmil](/molmil-images/mine/5b15) | Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Doripenem | Descriptor: | (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Metallo-beta-lactamase, SODIUM ION, ... | Authors: | Wachino, J, Arakawa, Y. | Deposit date: | 2015-11-23 | Release date: | 2016-05-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Doripenem To Be Published
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2ZJ9
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![BU of 2zj9 by Molmil](/molmil-images/mine/2zj9) | X-ray crystal structure of AmpC beta-Lactamase (AmpC(D)) from an Escherichia coli with a Tripeptide Deletion (Gly286 Ser287 Asp288) on the H10 Helix | Descriptor: | AmpC, ISOPROPYL ALCOHOL, SODIUM ION | Authors: | Yamaguchi, Y, Sato, G, Yamagata, Y, Wachino, J, Arakawa, Y, Kurosaki, H. | Deposit date: | 2008-02-29 | Release date: | 2009-03-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of AmpC beta-lactamase (AmpCD) from an Escherichia coli clinical isolate with a tripeptide deletion (Gly286-Ser287-Asp288) in the H10 helix Acta Crystallogr.,Sect.F, 65, 2009
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2YZ3
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![BU of 2yz3 by Molmil](/molmil-images/mine/2yz3) | Crystallographic Investigation of Inhibition Mode of the VIM-2 Metallo-beta-lactamase from Pseudomonas aeruginosa with Mercaptocarboxylate Inhibitor | Descriptor: | (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID, Metallo-beta-lactamase, SULFATE ION, ... | Authors: | Yamaguchi, Y, Yamagata, Y, Arakawa, Y, Kurosaki, H. | Deposit date: | 2007-05-02 | Release date: | 2008-03-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystallographic investigation of the inhibition mode of a VIM-2 metallo-beta-lactamase from Pseudomonas aeruginosa by a mercaptocarboxylate inhibitor. J.Med.Chem., 50, 2007
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5GS8
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![BU of 5gs8 by Molmil](/molmil-images/mine/5gs8) | Crystal structure of TLA-3 extended-spectrum beta-lactamase | Descriptor: | Beta-lactamase, CHLORIDE ION, SODIUM ION, ... | Authors: | Wachino, J, Jin, W, Arakawa, Y. | Deposit date: | 2016-08-14 | Release date: | 2017-07-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structural Insights into the TLA-3 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam and OP0595. Antimicrob. Agents Chemother., 61, 2017
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5GWA
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![BU of 5gwa by Molmil](/molmil-images/mine/5gwa) | Crystal structure of TLA-3 extended-spectrum beta-lactamase in a complex with avibactam | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CHLORIDE ION, ... | Authors: | Wachino, J, Jin, W, Arakawa, Y. | Deposit date: | 2016-09-09 | Release date: | 2017-07-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structural Insights into the TLA-3 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam and OP0595. Antimicrob. Agents Chemother., 61, 2017
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3VQZ
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![BU of 3vqz by Molmil](/molmil-images/mine/3vqz) | Crystal structure of metallo-beta-lactamase, SMB-1, in a complex with mercaptoacetic acid | Descriptor: | Metallo-beta-lactamase, SODIUM ION, SULFANYLACETIC ACID, ... | Authors: | Wachino, J, Yamaguchi, Y, Mori, S, Arakawa, Y, Shibayama, K. | Deposit date: | 2012-04-02 | Release date: | 2013-02-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Insights into the Subclass B3 Metallo-beta-Lactamase SMB-1 and the Mode of Inhibition by the Common Metallo- -Lactamase Inhibitor Mercaptoacetate Antimicrob.Agents Chemother., 57, 2013
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3VPE
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![BU of 3vpe by Molmil](/molmil-images/mine/3vpe) | Crystal Structure of Metallo-beta-Lactamase SMB-1 | Descriptor: | ACETATE ION, GLYCEROL, Metallo-beta-lactamase, ... | Authors: | Wachino, J, Yamaguchi, Y, Mori, S, Arakawa, Y, Shibayama, K. | Deposit date: | 2012-02-29 | Release date: | 2013-02-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Insights into the Subclass B3 Metallo-beta-Lactamase SMB-1 and the Mode of Inhibition by the Common Metallo- -Lactamase Inhibitor Mercaptoacetate Antimicrob.Agents Chemother., 57, 2013
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5X5G
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![BU of 5x5g by Molmil](/molmil-images/mine/5x5g) | Crystal structure of TLA-3 extended-spectrum beta-lactamase in a complex with OP0595 | Descriptor: | (2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, SODIUM ION, ... | Authors: | Wachino, J, Jin, W, Arakawa, Y. | Deposit date: | 2017-02-15 | Release date: | 2017-07-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Insights into the TLA-3 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam and OP0595. Antimicrob. Agents Chemother., 61, 2017
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3WO5
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![BU of 3wo5 by Molmil](/molmil-images/mine/3wo5) | Crystal structure of S147Q of Rv2613c from Mycobacterium tuberculosis | Descriptor: | AP-4-A phosphorylase, GLYCEROL, PHOSPHATE ION, ... | Authors: | Mori, S, Wachino, J, Arakawa, Y, Shibayama, K. | Deposit date: | 2013-12-20 | Release date: | 2014-12-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Role of Ser-147 and Ala-149 in catalytic activity of diadenosine tetraphosphate phosphorylase from Mycobacterium tuberculosis H37Rv To be Published
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3L6N
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![BU of 3l6n by Molmil](/molmil-images/mine/3l6n) | |
7WZU
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![BU of 7wzu by Molmil](/molmil-images/mine/7wzu) | Crystal structure of metallo-beta-lactamase IMP-6. | Descriptor: | Beta-lactamase, ZINC ION | Authors: | Yamaguchi, Y, Kurosaki, H. | Deposit date: | 2022-02-19 | Release date: | 2023-01-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.954 Å) | Cite: | Difference in the Inhibitory Effect of Thiol Compounds and Demetallation Rates from the Zn(II) Active Site of Metallo-beta-lactamases (IMP-1 and IMP-6) Associated with a Single Amino Acid Substitution. Acs Infect Dis., 9, 2023
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1WUP
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![BU of 1wup by Molmil](/molmil-images/mine/1wup) | Crystal structure of metallo-beta-lactamase IMP-1 mutant (D81E) | Descriptor: | ACETIC ACID, Beta-lactamase IMP-1, ZINC ION | Authors: | Yamaguchi, Y, Yamagata, Y, Goto, M. | Deposit date: | 2004-12-08 | Release date: | 2005-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Probing the role of Asp-120(81) of metallo-beta-lactamase (IMP-1) by site-directed mutagenesis, kinetic studies, and X-ray crystallography. J.Biol.Chem., 280, 2005
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1WUO
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![BU of 1wuo by Molmil](/molmil-images/mine/1wuo) | Crystal structure of metallo-beta-lactamase IMP-1 mutant (D81A) | Descriptor: | ACETIC ACID, Beta-lactamase IMP-1, ZINC ION | Authors: | Yamaguchi, Y, Yamagata, Y, Goto, M. | Deposit date: | 2004-12-08 | Release date: | 2005-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Probing the role of Asp-120(81) of metallo-beta-lactamase (IMP-1) by site-directed mutagenesis, kinetic studies, and X-ray crystallography. J.Biol.Chem., 280, 2005
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6KXI
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![BU of 6kxi by Molmil](/molmil-images/mine/6kxi) | |
6LBL
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![BU of 6lbl by Molmil](/molmil-images/mine/6lbl) | Crystal structure of IMP-1 metallo-beta-lactamase in complex with NO9 inhibitor | Descriptor: | 2,5-dimethyl-4-sulfamoyl-furan-3-carboxylic acid, Metallo-beta-lactamase type 2, SODIUM ION, ... | Authors: | Wachino, J. | Deposit date: | 2019-11-14 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Sulfamoyl Heteroarylcarboxylic Acids as Promising Metallo-beta-Lactamase Inhibitors for Controlling Bacterial Carbapenem Resistance. Mbio, 11, 2020
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6KZN
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![BU of 6kzn by Molmil](/molmil-images/mine/6kzn) | Crystal Structure Of VIM-2 Metallo-beta-lactamase In Complex With Inhibitor X2 | Descriptor: | 2,5-diethyl-1-methyl-4-sulfamoyl-pyrrole-3-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... | Authors: | Wachino, J. | Deposit date: | 2019-09-24 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Sulfamoyl Heteroarylcarboxylic Acids as Promising Metallo-beta-Lactamase Inhibitors for Controlling Bacterial Carbapenem Resistance. Mbio, 11, 2020
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7DTM
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![BU of 7dtm by Molmil](/molmil-images/mine/7dtm) | |