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PDB: 293 件
1GI8
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BU of 1gi8 by Molmil
A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
分子名称: 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, CITRIC ACID, UROKINASE-TYPE PLASMINOGEN ACTIVATOR
著者Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W.
登録日2001-01-22
公開日2002-01-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
5LRM
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BU of 5lrm by Molmil
Structure of di-zinc MCR-1 in P41212 space group
分子名称: GLYCEROL, ZINC ION, phosphatidylethanolamine transferase Mcr-1
著者Hinchliffe, P, Spencer, J.
登録日2016-08-19
公開日2016-12-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Insights into the Mechanistic Basis of Plasmid-Mediated Colistin Resistance from Crystal Structures of the Catalytic Domain of MCR-1.
Sci Rep, 7, 2017
3SD9
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BU of 3sd9 by Molmil
Crystal structure of serratia fonticola SFH-I: Source of the nucleophile in the catalytic mechanism of mono-zinc metallo-beta-lactamases
分子名称: Beta-lactamase, ZINC ION
著者Fonseca, F, Saavedra, M.J, Correia, A, Spencer, J.
登録日2011-06-08
公開日2011-07-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystal Structure of Serratia fonticola Sfh-I: Activation of the Nucleophile in Mono-Zinc Metallo-beta-Lactamases
To be Published, 2011
5IQK
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BU of 5iqk by Molmil
Rm3 metallo-beta-lactamase
分子名称: ZINC ION, beta-lactamase Rm3
著者Salimraj, R, Spencer, J.
登録日2016-03-10
公開日2016-03-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and Biochemical Characterization of Rm3, a Subclass B3 Metallo-beta-Lactamase Identified from a Functional Metagenomic Study.
Antimicrob.Agents Chemother., 60, 2016
5NDB
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BU of 5ndb by Molmil
Crystal structure of metallo-beta-lactamase SPM-1 complexed with cyclobutanone inhibitor
分子名称: (1~{S},4~{R},5~{S})-7,7-bis(chloranyl)-6,6-bis(oxidanyl)-2$l^{4}-thiabicyclo[3.2.0]hept-2-ene-4-carboxylic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase IMP-1, ...
著者Hinchliffe, P, Spencer, J.
登録日2017-03-08
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Cyclobutanone Mimics of Intermediates in Metallo-beta-Lactamase Catalysis.
Chemistry, 24, 2018
5NDE
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BU of 5nde by Molmil
Crystal structure of metallo-beta-lactamase SPM-1 in space group P4222
分子名称: Beta-lactamase IMP-1, CHLORIDE ION, GLYCEROL, ...
著者Hinchliffe, P, Spencer, J.
登録日2017-03-08
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Cyclobutanone Mimics of Intermediates in Metallo-beta-Lactamase Catalysis.
Chemistry, 24, 2018
2FHX
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BU of 2fhx by Molmil
Pseudomonas aeruginosa SPM-1 metallo-beta-lactamase
分子名称: 1,2-ETHANEDIOL, AZIDE ION, CHLORIDE ION, ...
著者Murphy, T.A, Catto, L.E, Halford, S.E, Hadfield, A.T, Minor, W, Walsh, T.R, Spencer, J.
登録日2005-12-27
公開日2006-01-17
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Pseudomonas aeruginosa SPM-1 Provides Insights into Variable Zinc Affinity of Metallo-beta-lactamases.
J.Mol.Biol., 357, 2006
5NE2
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L2 class A serine-beta-lactamase
分子名称: Beta-lactamase, D-GLUTAMIC ACID
著者Hinchliffe, P, Calvopina, K, Spencer, J.
登録日2017-03-09
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Structural/mechanistic insights into the efficacy of nonclassical beta-lactamase inhibitors against extensively drug resistant Stenotrophomonas maltophilia clinical isolates.
Mol. Microbiol., 106, 2017
5NE3
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L2 class A serine-beta-lactamase complexed with avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
著者Hinchliffe, P, Calvopina, K, Spencer, J.
登録日2017-03-09
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural/mechanistic insights into the efficacy of nonclassical beta-lactamase inhibitors against extensively drug resistant Stenotrophomonas maltophilia clinical isolates.
Mol. Microbiol., 106, 2017
5NE1
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L2 class A serine-beta-lactamase in complex with cyclic boronate 2
分子名称: (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, Beta-lactamase, TRIETHYLENE GLYCOL
著者Hinchliffe, P, Calvopina, K, Spencer, J.
登録日2017-03-09
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural/mechanistic insights into the efficacy of nonclassical beta-lactamase inhibitors against extensively drug resistant Stenotrophomonas maltophilia clinical isolates.
Mol. Microbiol., 106, 2017
4AWY
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BU of 4awy by Molmil
Crystal Structure of the Mobile Metallo-beta-Lactamase AIM-1 from Pseudomonas aeruginosa: Insights into Antibiotic Binding and the role of Gln157
分子名称: CALCIUM ION, MAGNESIUM ION, METALLO-BETA-LACTAMASE AIM-1, ...
著者Leiros, H.-K.S, Borra, P.S, Brandsdal, B.O, Edvardsen, K.S.W, Spencer, J, Walsh, T.R, Samuelsen, O.
登録日2012-06-06
公開日2012-06-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of the Mobile Metallo-Beta-Lactamase Aim-1 from Pseudomonas Aeruginosa: Insights Into Antibiotic Binding and the Role of Gln157
Antimicrob.Agents Chemother., 56, 2012
6TD0
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BU of 6td0 by Molmil
Crystal structure of vaborbactam bound to KPC-2
分子名称: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, SULFATE ION, ...
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2019-11-07
公開日2020-01-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献Cyclic boronates as versatile scaffolds for KPC-2 beta-lactamase inhibition.
Rsc Med Chem, 11, 2020
5HH4
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BU of 5hh4 by Molmil
Crystal structure of metallo-beta-lactamase IMP-1 in complex with a phosphonate-based inhibitor
分子名称: 1,2-ETHANEDIOL, 6-(phosphonomethyl)pyridine-2-carboxylic acid, Beta-lactamase IMP-1, ...
著者Hinchliffe, P, Spencer, J.
登録日2016-01-09
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Kinetic Studies of the Potent Inhibition of Metallo-beta-lactamases by 6-Phosphonomethylpyridine-2-carboxylates.
Biochemistry, 57, 2018
4AWZ
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BU of 4awz by Molmil
Crystal Structure of the Mobile Metallo-beta-Lactamase AIM-1 from Pseudomonas aeruginosa: Insights into Antibiotic Binding and the role of Gln157
分子名称: CALCIUM ION, MAGNESIUM ION, METALLO-BETA-LACTAMASE AIM-1, ...
著者Leiros, H.-K.S, Borra, P.S, Brandsdal, B.O, Edvardsen, K.S.W, Spencer, J, Walsh, T.R, Samuelsen, O.
登録日2012-06-06
公開日2012-06-20
最終更新日2012-08-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the Mobile Metallo-Beta-Lactamase Aim-1 from Pseudomonas Aeruginosa: Insights Into Antibiotic Binding and the Role of Gln157.
Antimicrob.Agents Chemother., 56, 2012
3PSZ
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BU of 3psz by Molmil
Crystal Structure of AhQnr, the Qnr protein from Aeromonas hydrophila (P21212 crystal form)
分子名称: ACETATE ION, PHOSPHATE ION, Qnr
著者Xiong, X, Spencer, J.
登録日2010-12-02
公開日2011-01-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights into quinolone antibiotic resistance mediated by pentapeptide repeat proteins: conserved surface loops direct the activity of a Qnr protein from a Gram-negative bacterium
Nucleic Acids Res., 2011
5G4O
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BU of 5g4o by Molmil
Crystal structure of the p53 cancer mutant Y220C in complex with a trifluorinated derivative of the small molecule stabilizer Phikan083
分子名称: CELLULAR TUMOR ANTIGEN P53, N,N-dimethyl-1-[9-(2,2,2-trifluoroethyl)-9H-carbazol-3-yl]methanamine, ZINC ION
著者Joerger, A.C, Bauer, M, Baud, M.G.J, Spencer, J.
登録日2016-05-13
公開日2016-06-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Harnessing Fluorine-Sulfur Contacts and Multipolar Interactions for the Design of P53 Mutant Y220C Rescue Drugs.
Acs Chem.Biol., 11, 2016
6TD1
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Crystal structure of VNRX-5133 (taniborbactam) bound to KPC-2
分子名称: (3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ...
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2019-11-07
公開日2020-01-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Cyclic boronates as versatile scaffolds for KPC-2 beta-lactamase inhibition.
Rsc Med Chem, 11, 2020
7BJ9
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Structure of Sfh-I with 2-Mercaptomethyl-thiazolidine L-anti-1a
分子名称: (2~{S},4~{R})-2-ethoxycarbonyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase, GLYCEROL, ...
著者Hinchliffe, P, Spencer, J.
登録日2021-01-14
公開日2021-08-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.21000588 Å)
主引用文献2-Mercaptomethyl Thiazolidines (MMTZs) Inhibit All Metallo-beta-Lactamase Classes by Maintaining a Conserved Binding Mode.
Acs Infect Dis., 7, 2021
5LS3
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Crystal structure of metallo-beta-lactamase SPM-1 with Y58C mutation
分子名称: Beta-lactamase IMP-1, ZINC ION
著者Hinchliffe, P, Spencer, J.
登録日2016-08-22
公開日2017-03-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.754 Å)
主引用文献(19) F-NMR Reveals the Role of Mobile Loops in Product and Inhibitor Binding by the Sao Paulo Metallo-beta-Lactamase.
Angew. Chem. Int. Ed. Engl., 56, 2017
2YNV
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BU of 2ynv by Molmil
Cys221 oxidized, Mono zinc GIM-1 - GIM-1-Ox. Crystal structures of Pseudomonas aeruginosa GIM-1: active site plasticity in metallo-beta- lactamases
分子名称: GIM-1 PROTEIN, MAGNESIUM ION, ZINC ION
著者Borra, P.S, Samuelsen, O, Spencer, J, Lorentzen, M.S, Leiros, H.-K.S.
登録日2012-10-18
公開日2013-07-24
最終更新日2018-06-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal Structures of Pseudomonas Aeruginosa Gim-1: Active-Site Plasticity in Metallo-Beta-Lactamases.
Antimicrob.Agents Chemother., 57, 2013
2YNU
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BU of 2ynu by Molmil
Apo GIM-1 with 2Mol. Crystal structures of Pseudomonas aeruginosa GIM-1: active site plasticity in metallo-beta-lactamases
分子名称: GIM-1 PROTEIN
著者Borra, P.S, Samuelsen, O, Spencer, J, Lorentzen, M.S, Leiros, H.-K.S.
登録日2012-10-18
公開日2013-07-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Crystal Structures of Pseudomonas Aeruginosa Gim-1: Active-Site Plasticity in Metallo-Beta-Lactamases.
Antimicrob.Agents Chemother., 57, 2013
1GJB
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BU of 1gjb by Molmil
ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS
分子名称: 2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, CITRIC ACID, UROKINASE-TYPE PLASMINOGEN ACTIVATOR
著者Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L.
登録日2001-04-27
公開日2002-04-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets.
Chem.Biol., 8, 2001
1GJC
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ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS
分子名称: 2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, CITRIC ACID, UROKINASE-TYPE PLASMINOGEN ACTIVATOR
著者Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L.
登録日2001-04-27
公開日2002-04-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets.
Chem.Biol., 8, 2001
1GJ4
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SELECTIVITY AT S1, H2O DISPLACEMENT, UPA, TPA, SER190/ALA190 PROTEASE, STRUCTURE-BASED DRUG DESIGN
分子名称: 6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-CARBOXAMIDINE, ACETYL HIRUDIN, SODIUM ION, ...
著者Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L.
登録日2001-04-27
公開日2002-04-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets.
Chem.Biol., 8, 2001
1GJD
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ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS
分子名称: CITRIC ACID, N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)-2-HYDROXY-3-IODO-5-METHYL-BENZAMIDE, UROKINASE-TYPE PLASMINOGEN ACTIVATOR
著者Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L.
登録日2001-05-03
公開日2002-05-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets.
Chem.Biol., 8, 2001

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