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1MZS
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BU of 1mzs by Molmil
CRYSTAL STRUCTURE OF BETA-KETOACYL-ACP SYNTHASE III WITH BOUND dichlorobenzyloxy-indole-carboxylic acid inhibitor
分子名称: 1-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROBENZYLOXY)-1H-INDOLE-2-CARBOXYLIC ACID, 3-oxoacyl-[acyl-carrier-protein] synthase III, PHOSPHATE ION
著者Daines, R.A, Pendrak, I, Sham, K, Van Aller, G.S, Konstantinidis, A.K, Lonsdale, J.T, Janson, C.A, Qui, X, Brandt, M, Silverman, C, Head, M.S.
登録日2002-10-09
公開日2002-11-13
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献First X-ray cocrystal structure of a bacterial FabH condensing enzyme and a small molecule inhibitor achieved using rational design and homology modeling
J.Med.Chem., 46, 2003
5DNA
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BU of 5dna by Molmil
Crystal structure of Candida boidinii formate dehydrogenase
分子名称: FORMATE DEHYDROGENASE, SULFATE ION
著者Guo, Q, Gakhar, L, Wichersham, K, Francis, K, Vardi-Kilshtain, A, Major, D.T, Cheatum, C.M, Kohen, A.
登録日2015-09-09
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and Kinetic Studies of Formate Dehydrogenase from Candida boidinii.
Biochemistry, 55, 2016
5DN9
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BU of 5dn9 by Molmil
Crystal structure of Candida boidinii formate dehydrogenase complexed with NAD+ and azide
分子名称: AZIDE ION, CHLORIDE ION, FDH, ...
著者Guo, Q, Gakhar, L, Wichersham, K, Francis, K, Vardi-Kilshtain, A, Major, D.T, Cheatum, C.M, Kohen, A.
登録日2015-09-09
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and Kinetic Studies of Formate Dehydrogenase from Candida boidinii.
Biochemistry, 55, 2016
6CGW
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BU of 6cgw by Molmil
Solution NMR structure of JzTx-V, a Nav 1.7 inhibitory peptide
分子名称: Beta/kappa-theraphotoxin-Cg2a
著者Jordan, J.B, Andrews, K.
登録日2018-02-21
公開日2018-05-02
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Pharmacological characterization of potent and selective NaV1.7 inhibitors engineered from Chilobrachys jingzhao tarantula venom peptide JzTx-V.
PLoS ONE, 13, 2018
6CHC
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BU of 6chc by Molmil
JzTx-V toxin peptide, wild-type
分子名称: Beta/kappa-theraphotoxin-Cg2a
著者Jordan, J.B.
登録日2018-02-22
公開日2018-05-16
実験手法SOLUTION NMR
主引用文献Pharmacological characterization of potent and selective NaV1.7 inhibitors engineered from Chilobrachys jingzhao tarantula venom peptide JzTx-V.
PLoS ONE, 13, 2018
6CNU
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BU of 6cnu by Molmil
Crystal Structure of JzTX-V
分子名称: BROMIDE ION, GLYCEROL, JzTx-V, ...
著者Min, X, Wang, Z.
登録日2018-03-09
公開日2019-03-06
最終更新日2020-03-04
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Discovery of Tarantula Venom-Derived NaV1.7-Inhibitory JzTx-V Peptide 5-Br-Trp24 Analogue AM-6120 with Systemic Block of Histamine-Induced Pruritis.
J. Med. Chem., 61, 2018
3DS6
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BU of 3ds6 by Molmil
P38 complex with a phthalazine inhibitor
分子名称: Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide
著者Herberich, B, Syed, R, Li, V, Grosfeld, D.
登録日2008-07-11
公開日2008-10-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold.
J.Med.Chem., 51, 2008
3DT1
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BU of 3dt1 by Molmil
P38 Complexed with a quinazoline inhibitor
分子名称: Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide
著者Herberich, B, Syed, R, Li, V, Tasker, A.S.
登録日2008-07-14
公開日2008-10-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold.
J.Med.Chem., 51, 2008
6D4B
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BU of 6d4b by Molmil
Crystal structure of Candida boidinii formate dehydrogenase V123A mutant complexed with NAD+ and azide
分子名称: AZIDE ION, CHLORIDE ION, Formate dehydrogenase, ...
著者Guo, Q, Ye, H, Gakhar, L, Cheatum, C.M, Kohen, A.
登録日2018-04-17
公開日2019-04-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Oscillatory Active-site Motions Correlate with Kinetic Isotope Effects in Formate Dehydrogenase
Acs Catalysis, 2019
6D4C
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BU of 6d4c by Molmil
Crystal structure of Candida boidinii formate dehydrogenase V123G mutant complexed with NAD+ and azide
分子名称: AZIDE ION, CHLORIDE ION, Formate dehydrogenase, ...
著者Guo, Q, Ye, H, Gakhar, L, Cheatum, C.M, Kohen, A.
登録日2018-04-17
公開日2019-04-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Oscillatory Active-site Motions Correlate with Kinetic Isotope Effects in Formate Dehydrogenase
Acs Catalysis, 2019
4BEB
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BU of 4beb by Molmil
MUTANT (K220E) OF THE HSDR SUBUNIT OF THE ECOR124I RESTRICTION ENZYME IN COMPLEX WITH ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, TYPE I RESTRICTION ENZYME HSDR
著者Csefalvay, E, Lapkouski, M, Guzanova, A, Csefalvay, L, Baikova, T, Shevelev, I, Janscak, P, Smatanova, I.K, Panjikar, S, Carey, J, Weiserova, M, Ettrich, R.
登録日2013-03-07
公開日2014-03-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.989 Å)
主引用文献Functional Coupling of Duplex Translocation to DNA Cleavage in a Type I Restriction Enzyme.
Plos One, 10, 2015
4BEC
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BU of 4bec by Molmil
MUTANT (K220A) OF THE HSDR SUBUNIT OF THE ECOR124I RESTRICTION ENZYME IN COMPLEX WITH ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, TYPE I RESTRICTION ENZYME HSDR
著者Csefalvay, E, Lapkouski, M, Guzanova, A, Csefalvay, L, Baikova, T, Shevelev, I, Janscak, P, Smatanova, I.K, Panjikar, S, Carey, J, Weiserova, M, Ettrich, R.
登録日2013-03-07
公開日2014-03-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Functional Coupling of Duplex Translocation to DNA Cleavage in a Type I Restriction Enzyme.
Plos One, 10, 2015
4BE7
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BU of 4be7 by Molmil
MUTANT (K220R) OF THE HSDR SUBUNIT OF THE ECOR124I RESTRICTION ENZYME IN COMPLEX WITH ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Csefalvay, E, Lapkouski, M, Guzanova, A, Csefalvay, L, Baikova, T, Shevelev, I, Janscak, P, Smatanova, I.K, Panjikar, S, Carey, J, Weiserova, M, Ettrich, R.
登録日2013-03-06
公開日2014-03-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.744 Å)
主引用文献Functional Coupling of Duplex Translocation to DNA Cleavage in a Type I Restriction Enzyme.
Plos One, 10, 2015

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