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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5AYA
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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: | 2024-10-23 | | 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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8I52
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5YD7
 | | Crystal Structure OF VIM-2 Metallo-beta-lactamase | | Descriptor: | Beta-lactamase class B VIM-2, FORMIC ACID, ZINC ION | | Authors: | Wachino, J. | | Deposit date: | 2017-09-11 | | Release date: | 2018-09-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure Of VIM-2 Metallo-beta-lactamase
To Be Published
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5Y5B
 | | Crystal Structure Of IMP-1 Metallo-beta-lactamase | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Metallo-beta-lactamase type 2, SULFATE ION, ... | | Authors: | Wachino, J. | | Deposit date: | 2017-08-08 | | Release date: | 2018-08-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 4-Amino-2-Sulfanylbenzoic Acid as a Potent Subclass B3 Metallo-beta-Lactamase-Specific Inhibitor Applicable for Distinguishing Metallo-beta-Lactamase Subclasses.
Antimicrob.Agents Chemother., 63, 2019
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5ZR8
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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: | 2024-11-06 | | 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
 | | 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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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: | 2024-10-23 | | 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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6JED
 | | Crystal structure of IMP-1 metallo-beta-lactamase in a complex with MCR | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Metallo-beta-lactamase type 2, SULFANYLACETIC ACID, ... | | Authors: | Wachino, J. | | Deposit date: | 2019-02-05 | | Release date: | 2019-08-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | 4-Amino-2-Sulfanylbenzoic Acid as a Potent Subclass B3 Metallo-beta-Lactamase-Specific Inhibitor Applicable for Distinguishing Metallo-beta-Lactamase Subclasses.
Antimicrob.Agents Chemother., 63, 2019
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6K4T
 | | Crystal structure of SMB-1 metallo-beta-lactamase in a complex with TSA | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-sulfanylbenzoic acid, Metallo-beta-lactamase, ... | | Authors: | Wachino, J. | | Deposit date: | 2019-05-27 | | Release date: | 2019-08-07 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | 4-Amino-2-Sulfanylbenzoic Acid as a Potent Subclass B3 Metallo-beta-Lactamase-Specific Inhibitor Applicable for Distinguishing Metallo-beta-Lactamase Subclasses.
Antimicrob.Agents Chemother., 63, 2019
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6K4X
 | | Crystal structure of SMB-1 metallo-beta-lactamase in a complex with ASB | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-azanyl-2-sulfanyl-benzoic acid, Metallo-beta-lactamase, ... | | Authors: | Wachino, J. | | Deposit date: | 2019-05-27 | | Release date: | 2019-08-07 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | 4-Amino-2-Sulfanylbenzoic Acid as a Potent Subclass B3 Metallo-beta-Lactamase-Specific Inhibitor Applicable for Distinguishing Metallo-beta-Lactamase Subclasses.
Antimicrob.Agents Chemother., 63, 2019
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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: | 2024-10-09 | | 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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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
 | | 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: | 2024-10-16 | | 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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4J1R
 | | Crystal Structure of GSK3b in complex with inhibitor 15R | | Descriptor: | (2R)-2-(1H-indol-3-ylmethyl)-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one, Glycogen synthase kinase-3 beta, PHOSPHATE ION, ... | | Authors: | Zhan, C, Wang, Y, Wach, J, Sheehan, P, Zhong, C, Harris, R, Patskovsky, Y, Bishop, J, Haggarty, S, Ramek, A, Berry, K, O'Herin, C, Koehler, A.N, Hung, A.W, Young, D.W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-02-01 | | Release date: | 2013-03-20 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.702 Å) | | Cite: | Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor
To be Published
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4J71
 | | Crystal Structure of GSK3b in complex with inhibitor 1R | | Descriptor: | (2R)-2-methyl-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one, CHLORIDE ION, Glycogen synthase kinase-3 beta, ... | | Authors: | Zhan, C, Wang, Y, Wach, J, Sheehan, P, Zhong, C, Harris, R, Patskovsky, Y, Bishop, J, Haggarty, S, Ramek, A, Berry, K, O'Herin, C, Koehler, A.N, Hung, A.W, Young, D.W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-02-12 | | Release date: | 2013-03-20 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor
To be Published
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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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5HI8
 | | Structure of T-type Phycobiliprotein Lyase CpeT from Prochlorococcus phage P-HM1 | | Descriptor: | ACETATE ION, Antenna protein, MAGNESIUM ION | | Authors: | Gasper, R, Schwach, J, Frankenberg-Dinkel, N, Hofmann, E. | | Deposit date: | 2016-01-11 | | Release date: | 2017-01-18 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Distinct Features of Cyanophage-encoded T-type Phycobiliprotein Lyase Phi CpeT: THE ROLE OF AUXILIARY METABOLIC GENES.
J. Biol. Chem., 292, 2017
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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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2N9Q
 | | Photoswitchable G-quadruplex | | Descriptor: | DNA (5'-D(*GP*GP*(AZW)P*GP*G)-3'), POTASSIUM ION | | Authors: | Thevarpadam, J, Bessi, I, Binas, O, Goncalves, D.P.N, Slavov, C, Jonker, H.R.A, Richter, C, Wachtveitl, J, Schwalbe, H, Heckel, A. | | Deposit date: | 2015-12-02 | | Release date: | 2016-02-17 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Photoresponsive Formation of an Intermolecular Minimal G-Quadruplex Motif.
Angew.Chem.Int.Ed.Engl., 55, 2016
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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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4B2K
 | | COMPLEXES OF DODECIN WITH FLAVIN AND FLAVIN-LIKE LIGANDS | | Descriptor: | CHLORIDE ION, DODECIN, MAGNESIUM ION, ... | | Authors: | Staudt, H, Hoesl, M, Dreuw, A, Serdjukow, S, Oesterhelt, D, Budisa, N, Wachtveitl, J, Grininger, M. | | Deposit date: | 2012-07-16 | | Release date: | 2013-07-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Directed Manipulation of a Flavoprotein Photocycle.
Angew.Chem.Int.Ed.Engl., 52, 2013
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