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4X69
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BU of 4x69 by Molmil
Crystal structure of OP0595 complexed with CTX-M-44
分子名称: (2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase Toho-1
著者Yamada, M, Watanabe, T.
登録日2014-12-07
公開日2015-07-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献OP0595, a new diazabicyclooctane: mode of action as a serine beta-lactamase inhibitor, antibiotic and beta-lactam 'enhancer'
J.Antimicrob.Chemother., 70, 2015
1WVO
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BU of 1wvo by Molmil
Solution structure of RSGI RUH-029, an antifreeze protein like domain in human N-acetylneuraminic acid phosphate synthase gene.
分子名称: Sialic acid synthase
著者Ito, Y, Hamada, T, Hayashi, F, Yokoyama, S, Hirota, H, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2004-12-22
公開日2006-01-03
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Solution structure of the antifreeze-like domain of human sialic acid synthase
Protein Sci., 15, 2006
5AXI
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BU of 5axi by Molmil
Crystal structure of Cbl-b TKB domain in complex with Cblin
分子名称: CALCIUM ION, CHLORIDE ION, Cblin, ...
著者Ohno, A, Maita, N, Ochi, A, Nakao, R, Nikawa, T.
登録日2015-07-29
公開日2016-03-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural analysis of the TKB domain of ubiquitin ligase Cbl-b complexed with its small inhibitory peptide, Cblin
Arch.Biochem.Biophys., 594, 2016
3W1Z
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Heat shock protein 16.0 from Schizosaccharomyces pombe
分子名称: Heat shock protein 16
著者Hanazono, Y, Takeda, K, Akiyama, N, Aikawa, Y, Miki, K.
登録日2012-11-26
公開日2013-03-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Nonequivalence Observed for the 16-Meric Structure of a Small Heat Shock Protein, SpHsp16.0, from Schizosaccharomyces pombe
Structure, 21, 2013
7YCE
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KRas G12C in complex with Compound 7b
分子名称: 1-[7-[6-chloranyl-2-(1-ethylpiperidin-4-yl)oxy-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
著者Amano, Y.
登録日2022-07-01
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery and biological evaluation of 1-{2,7-diazaspiro[3.5]nonan-2-yl}prop-2-en-1-one derivatives as covalent inhibitors of KRAS G12C with favorable metabolic stability and anti-tumor activity.
Bioorg.Med.Chem., 71, 2022
7YCC
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KRas G12C in complex with Compound 5c
分子名称: 1-[7-[6-chloranyl-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)-2-[(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
著者Amano, Y.
登録日2022-07-01
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Discovery and biological evaluation of 1-{2,7-diazaspiro[3.5]nonan-2-yl}prop-2-en-1-one derivatives as covalent inhibitors of KRAS G12C with favorable metabolic stability and anti-tumor activity.
Bioorg.Med.Chem., 71, 2022
1Q2P
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SHV-1 class A beta-lactamase complexed with penem WAY185229
分子名称: (6,7-DIHYDRO-5H-CYCLOPENTA[D]IMIDAZO[2,1-B]THIAZOL-2-YL]-4,7-DIHYDRO[1,4]THIAZEPINE-3,6-DICARBOXYLIC ACID, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, beta-lactamase SHV-1
著者Nukaga, M, Venkatesan, A.M, Mansour, T.S, Hujer, A, Bonomo, R.A, Knox, J.R.
登録日2003-07-25
公開日2004-09-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-activity relationship of 6-methylidene penems bearing tricyclic heterocycles as broad-spectrum beta-lactamase inhibitors: crystallographic structures show unexpected binding of 1,4-thiazepine intermediates
J.Med.Chem., 47, 2004
1Q2Q
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Enterobacter cloacae GC1 class C beta-lactamase complexed with penem WAY185229
分子名称: (6,7-DIHYDRO-5H-CYCLOPENTA[D]IMIDAZO[2,1-B]THIAZOL-2-YL]-4,7-DIHYDRO[1,4]THIAZEPINE-3,6-DICARBOXYLIC ACID, GLYCEROL, class C beta-lactamase
著者Nukaga, M, Venkatesan, A.M, Mansour, T.S, Hujer, A, Bonomo, R.A, Knox, J.R.
登録日2003-07-25
公開日2004-09-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-activity relationship of 6-methylidene penems bearing tricyclic heterocycles as broad-spectrum beta-lactamase inhibitors: crystallographic structures show unexpected binding of 1,4-thiazepine intermediates
J.Med.Chem., 47, 2004
1ONG
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SHV-1 beta-lactamase with a penem inhibitor
分子名称: 7-(5,6-DIHYDRO-8H-IMIDAZO[2,1-C][1,4]OXAZIN-2-YL)-6-FORMYL-2,7-DIHYDRO- [1,4]THIAZEPINE-3-CARBOXYLIC ACID, BETA-LACTAMASE SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
著者Nukaga, M, Mayama, K, Bonomo, R.A, Knox, J.R.
登録日2003-02-27
公開日2003-12-09
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Inhibition of Class A and Class C Beta-Lactamases by Penems: Crystallographic Structures of a Novel 1,4-Thiazepine Intermediate
Biochemistry, 42, 2003
1ONH
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GC1 beta-lactamase with a penem inhibitor
分子名称: 7-(5,6-DIHYDRO-8H-IMIDAZO[2,1-C][1,4]OXAZIN-2-YL)-6-FORMYL-2,7-DIHYDRO- [1,4]THIAZEPINE-3-CARBOXYLIC ACID, GLYCEROL, class C beta-lactamase
著者Nukaga, M, Nukaga, K, Knox, J.R.
登録日2003-02-27
公開日2003-12-09
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Inhibition of Class A and Class C Beta-Lactamases by Penems: Crystallographic Structures of a Novel 1,4-Thiazepine Intermediate
Biochemistry, 42, 2003
7FJK
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BU of 7fjk by Molmil
Tyrosine phenol-lyase from pantoea agglomerans
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Katayama, T, Mikamii, B, Byun, Z.
登録日2021-08-04
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Faecal microbiota-dependent phenol production from tyrosine
To Be Published
1GIB
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BU of 1gib by Molmil
MU-CONOTOXIN GIIIB, NMR
分子名称: MU-CONOTOXIN GIIIB
著者Hill, J.M, Alewood, P.F, Craik, D.J.
登録日1996-04-17
公開日1996-11-08
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Three-dimensional solution structure of mu-conotoxin GIIIB, a specific blocker of skeletal muscle sodium channels.
Biochemistry, 35, 1996
1AG7
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BU of 1ag7 by Molmil
CONOTOXIN GS, NMR, 20 STRUCTURES
分子名称: CONOTOXIN GS
著者Hill, J.M, Alewood, P.F, Craik, D.J.
登録日1997-04-03
公開日1998-04-08
最終更新日2022-02-16
実験手法SOLUTION NMR
主引用文献Solution structure of the sodium channel antagonist conotoxin GS: a new molecular caliper for probing sodium channel geometry.
Structure, 5, 1997
1TCH
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STRUCTURE-ACTIVITY RELATIONSHIPS OF MU-CONOTOXIN GIIIA: STRUCTURE DETERMINATION OF ACTIVE AND INACTIVE SODIUM CHANNEL BLOCKER PEPTIDES BY NMR AND SIMULATED ANNEALING CALCULATIONS
分子名称: MU-CONOTOXIN GIIIA
著者Lancelin, J.-M, Kohda, D, Inagaki, F.
登録日1992-12-12
公開日1994-01-31
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Structure-activity relationships of mu-conotoxin GIIIA: structure determination of active and inactive sodium channel blocker peptides by NMR and simulated annealing calculations.
Biochemistry, 31, 1992
1TCJ
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STRUCTURE-ACTIVITY RELATIONSHIPS OF MU-CONOTOXIN GIIIA: STRUCTURE DETERMINATION OF ACTIVE AND INACTIVE SODIUM CHANNEL BLOCKER PEPTIDES BY NMR AND SIMULATED ANNEALING CALCULATIONS
分子名称: MU-CONOTOXIN GIIIA
著者Kohda, D, Lancelin, J.-M, Inagaki, F, Wakamatsu, K.
登録日1992-12-12
公開日1994-01-31
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Structure-activity relationships of mu-conotoxin GIIIA: structure determination of active and inactive sodium channel blocker peptides by NMR and simulated annealing calculations.
Biochemistry, 31, 1992
1TCG
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STRUCTURE-ACTIVITY RELATIONSHIPS OF MU-CONOTOXIN GIIIA: STRUCTURE DETERMINATION OF ACTIVE AND INACTIVE SODIUM CHANNEL BLOCKER PEPTIDES BY NMR AND SIMULATED ANNEALING CALCULATIONS
分子名称: MU-CONOTOXIN GIIIA
著者Kohda, D, Lancelin, J.-M, Inagaki, F, Wakamatsu, K.
登録日1992-12-12
公開日1994-01-31
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Structure-activity relationships of mu-conotoxin GIIIA: structure determination of active and inactive sodium channel blocker peptides by NMR and simulated annealing calculations.
Biochemistry, 31, 1992
1TCK
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BU of 1tck by Molmil
STRUCTURE-ACTIVITY RELATIONSHIPS OF MU-CONOTOXIN GIIIA: STRUCTURE DETERMINATION OF ACTIVE AND INACTIVE SODIUM CHANNEL BLOCKER PEPTIDES BY NMR AND SIMULATED ANNEALING CALCULATIONS
分子名称: MU-CONOTOXIN GIIIA
著者Lancelin, J.-M, Kohda, D, Inagaki, F.
登録日1992-12-12
公開日1994-01-31
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Structure-activity relationships of mu-conotoxin GIIIA: structure determination of active and inactive sodium channel blocker peptides by NMR and simulated annealing calculations.
Biochemistry, 31, 1992
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