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5B1U
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BU of 5b1u by Molmil
Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Imipenem
分子名称: (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, ...
著者Wachino, J, Arakawa, Y.
登録日2015-12-20
公開日2016-05-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Imipenem
To be published
5AXR
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BU of 5axr by Molmil
Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to 2-mercaptoethanesulfonate
分子名称: 1-THIOETHANESULFONIC ACID, Metallo-beta-lactamase, SODIUM ION, ...
著者Wachino, J, Arakawa, Y.
登録日2015-07-31
公開日2016-05-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to 2-mercaptoethanesulfonate
To Be Published
5AYA
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BU of 5aya by Molmil
Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to L-captopril
分子名称: L-CAPTOPRIL, Metallo-beta-lactamase, SODIUM ION, ...
著者Wachino, J, Arakawa, Y.
登録日2015-08-12
公開日2016-05-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to L-captopril
To Be Published
5B15
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BU of 5b15 by Molmil
Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Doripenem
分子名称: (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, ...
著者Wachino, J, Arakawa, Y.
登録日2015-11-23
公開日2016-05-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Doripenem
To Be Published
8I52
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BU of 8i52 by Molmil
Crystal structure of VIM-2 metallo-beta-lactamase in complex with 10-HHIA
分子名称: (2~{S})-2-butyl-3-methylidene-butanedioic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Wachino, J.
登録日2023-01-23
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal structure of VIM-2 Metallo-beta-lactamase in complex with 10-HHIA
To Be Published
5YD7
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BU of 5yd7 by Molmil
Crystal Structure OF VIM-2 Metallo-beta-lactamase
分子名称: Beta-lactamase class B VIM-2, FORMIC ACID, ZINC ION
著者Wachino, J.
登録日2017-09-11
公開日2018-09-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure Of VIM-2 Metallo-beta-lactamase
To Be Published
5Y5B
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BU of 5y5b by Molmil
Crystal Structure Of IMP-1 Metallo-beta-lactamase
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Metallo-beta-lactamase type 2, SULFATE ION, ...
著者Wachino, J.
登録日2017-08-08
公開日2018-08-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
5ZR8
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BU of 5zr8 by Molmil
Crystal Structure Of NDM-1 Metallo-beta-lactamase
分子名称: Beta-lactamase, SULFATE ION, ZINC ION
著者Wachino, J.
登録日2018-04-23
公開日2019-04-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure Of NDM-1 Metallo-beta-lactamase
To Be Published
3VQZ
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BU of 3vqz by Molmil
Crystal structure of metallo-beta-lactamase, SMB-1, in a complex with mercaptoacetic acid
分子名称: Metallo-beta-lactamase, SODIUM ION, SULFANYLACETIC ACID, ...
著者Wachino, J, Yamaguchi, Y, Mori, S, Arakawa, Y, Shibayama, K.
登録日2012-04-02
公開日2013-02-13
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
3VPE
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BU of 3vpe by Molmil
Crystal Structure of Metallo-beta-Lactamase SMB-1
分子名称: ACETATE ION, GLYCEROL, Metallo-beta-lactamase, ...
著者Wachino, J, Yamaguchi, Y, Mori, S, Arakawa, Y, Shibayama, K.
登録日2012-02-29
公開日2013-02-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
5AXO
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BU of 5axo by Molmil
Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Meropenem
分子名称: (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, ...
著者Wachino, J, Arakawa, Y.
登録日2015-07-31
公開日2016-05-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Meropenem
To Be Published
6JED
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BU of 6jed by Molmil
Crystal structure of IMP-1 metallo-beta-lactamase in a complex with MCR
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Metallo-beta-lactamase type 2, SULFANYLACETIC ACID, ...
著者Wachino, J.
登録日2019-02-05
公開日2019-08-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献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
6K4T
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BU of 6k4t by Molmil
Crystal structure of SMB-1 metallo-beta-lactamase in a complex with TSA
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-sulfanylbenzoic acid, Metallo-beta-lactamase, ...
著者Wachino, J.
登録日2019-05-27
公開日2019-08-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献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
6K4X
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BU of 6k4x by Molmil
Crystal structure of SMB-1 metallo-beta-lactamase in a complex with ASB
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-azanyl-2-sulfanyl-benzoic acid, Metallo-beta-lactamase, ...
著者Wachino, J.
登録日2019-05-27
公開日2019-08-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献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
5X5G
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BU of 5x5g by Molmil
Crystal structure of TLA-3 extended-spectrum beta-lactamase in a complex with OP0595
分子名称: (2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, SODIUM ION, ...
著者Wachino, J, Jin, W, Arakawa, Y.
登録日2017-02-15
公開日2017-07-12
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insights into the TLA-3 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam and OP0595.
Antimicrob. Agents Chemother., 61, 2017
5GS8
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BU of 5gs8 by Molmil
Crystal structure of TLA-3 extended-spectrum beta-lactamase
分子名称: Beta-lactamase, CHLORIDE ION, SODIUM ION, ...
著者Wachino, J, Jin, W, Arakawa, Y.
登録日2016-08-14
公開日2017-07-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structural Insights into the TLA-3 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam and OP0595.
Antimicrob. Agents Chemother., 61, 2017
5GWA
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BU of 5gwa by Molmil
Crystal structure of TLA-3 extended-spectrum beta-lactamase in a complex with avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CHLORIDE ION, ...
著者Wachino, J, Jin, W, Arakawa, Y.
登録日2016-09-09
公開日2017-07-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structural Insights into the TLA-3 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam and OP0595.
Antimicrob. Agents Chemother., 61, 2017
4J1R
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BU of 4j1r by Molmil
Crystal Structure of GSK3b in complex with inhibitor 15R
分子名称: (2R)-2-(1H-indol-3-ylmethyl)-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one, Glycogen synthase kinase-3 beta, PHOSPHATE ION, ...
著者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)
登録日2013-02-01
公開日2013-03-20
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.702 Å)
主引用文献Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor
To be Published
4J71
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BU of 4j71 by Molmil
Crystal Structure of GSK3b in complex with inhibitor 1R
分子名称: (2R)-2-methyl-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one, CHLORIDE ION, Glycogen synthase kinase-3 beta, ...
著者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)
登録日2013-02-12
公開日2013-03-20
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor
To be Published
3ANO
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BU of 3ano by Molmil
Crystal Structure of a Novel Diadenosine 5',5'''-P1,P4-Tetraphosphate Phosphorylase from Mycobacterium tuberculosis H37Rv
分子名称: AP-4-A phosphorylase, PHOSPHATE ION, TETRAETHYLENE GLYCOL
著者Mori, S, Shibayama, K, Wachino, J, Arakawa, Y.
登録日2010-09-06
公開日2011-05-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.894 Å)
主引用文献Structural insights into the novel diadenosine 5',5-P1,P4-tetraphosphate phosphorylase from Mycobacterium tuberculosis H37Rv
J.Mol.Biol., 410, 2011
5HI8
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BU of 5hi8 by Molmil
Structure of T-type Phycobiliprotein Lyase CpeT from Prochlorococcus phage P-HM1
分子名称: ACETATE ION, Antenna protein, MAGNESIUM ION
著者Gasper, R, Schwach, J, Frankenberg-Dinkel, N, Hofmann, E.
登録日2016-01-11
公開日2017-01-18
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Distinct Features of Cyanophage-encoded T-type Phycobiliprotein Lyase Phi CpeT: THE ROLE OF AUXILIARY METABOLIC GENES.
J. Biol. Chem., 292, 2017
4UBQ
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BU of 4ubq by Molmil
Crystal Structure of IMP-2 Metallo-beta-Lactamase from Acinetobacter spp.
分子名称: ACETATE ION, Beta-lactamase, ZINC ION
著者Yamaguchi, Y, Matsueda, S, Matsunaga, K, Takashio, N, Toma-Fukai, S, Yamagata, Y, Shibata, N, Wachino, J, Shibayama, K, Arakawa, Y, Kurosaki, H.
登録日2014-08-13
公開日2014-12-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
2N9Q
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BU of 2n9q by Molmil
Photoswitchable G-quadruplex
分子名称: DNA (5'-D(*GP*GP*(AZW)P*GP*G)-3'), POTASSIUM ION
著者Thevarpadam, J, Bessi, I, Binas, O, Goncalves, D.P.N, Slavov, C, Jonker, H.R.A, Richter, C, Wachtveitl, J, Schwalbe, H, Heckel, A.
登録日2015-12-02
公開日2016-02-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Photoresponsive Formation of an Intermolecular Minimal G-Quadruplex Motif.
Angew.Chem.Int.Ed.Engl., 55, 2016
2ZJ9
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BU of 2zj9 by Molmil
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
分子名称: AmpC, ISOPROPYL ALCOHOL, SODIUM ION
著者Yamaguchi, Y, Sato, G, Yamagata, Y, Wachino, J, Arakawa, Y, Kurosaki, H.
登録日2008-02-29
公開日2009-03-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
4B2K
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BU of 4b2k by Molmil
COMPLEXES OF DODECIN WITH FLAVIN AND FLAVIN-LIKE LIGANDS
分子名称: CHLORIDE ION, DODECIN, MAGNESIUM ION, ...
著者Staudt, H, Hoesl, M, Dreuw, A, Serdjukow, S, Oesterhelt, D, Budisa, N, Wachtveitl, J, Grininger, M.
登録日2012-07-16
公開日2013-07-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Directed Manipulation of a Flavoprotein Photocycle.
Angew.Chem.Int.Ed.Engl., 52, 2013

 

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