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2GLM
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BU of 2glm by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(FabZ) from Helicobacter pylori complexed with Compound 2
分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 2-CHLORO-5-(5-{(E)-[(2Z)-3-(2-METHOXYETHYL)-4-OXO-2-(PHENYLIMINO)-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-2-FURYL)BENZOIC ACID, BENZAMIDINE, ...
著者Zhang, L, Liu, W, Shen, X, Jiang, H.
登録日2006-04-05
公開日2007-03-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for catalytic and inhibitory mechanisms of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ).
J.Biol.Chem., 283, 2008
2GLL
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BU of 2gll by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(FabZ) from Helicobacter pylori
分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, CHLORIDE ION
著者Zhang, L, Liu, W, Shen, X, Jiang, H.
登録日2006-04-05
公開日2007-03-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for catalytic and inhibitory mechanisms of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ).
J.Biol.Chem., 283, 2008
2PVP
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BU of 2pvp by Molmil
Crystal structure of D-Alanine-D-Alanine Ligase from Helicobacter pylori
分子名称: D-alanine-D-alanine ligase
著者Wu, D, Zhang, L, Jiang, H, Shen, X.
登録日2007-05-10
公開日2008-04-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Enzymatic characterization and crystal structure analysis of the D-alanine-D-alanine ligase from Helicobacter pylori.
Proteins, 72, 2008
2PWX
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BU of 2pwx by Molmil
Crystal structure of G11A mutant of SARS-CoV 3C-like protease
分子名称: 3C-like proteinase
著者Chen, S, Hu, T, Jiang, H, Shen, X.
登録日2007-05-14
公開日2007-10-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mutation of Gly-11 on the dimer interface results in the complete crystallographic dimer dissociation of severe acute respiratory syndrome coronavirus 3C-like protease: crystal structure with molecular dynamics simulations.
J.Biol.Chem., 283, 2008
7F2S
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BU of 7f2s by Molmil
Crystal structure of anti S-gatifloxacin antibody Fab fragment apo form
分子名称: 1,2-ETHANEDIOL, Antibody Fab fragment heavy chain, Antibody Fab fragment light chain, ...
著者Wang, L.T, Jiao, W.Y, Shen, X, Lei, H.T.
登録日2021-06-14
公開日2021-12-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Conformational adaptability determining antibody recognition to distomer: structure analysis of enantioselective antibody against chiral drug gatifloxacin
Rsc Adv, 11, 2021
7F35
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BU of 7f35 by Molmil
Crystal structure of anti S-gatifloxacin antibody Fab fragment in complex with S-gatifloxacin
分子名称: 1,2-ETHANEDIOL, 1-cyclopropyl-6-fluoro-8-methoxy-7-[(3S)-3-methylpiperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, Antibody Fab fragment heavy chain, ...
著者Wang, L.T, Jiao, W.Y, Shen, X, Lei, H.T.
登録日2021-06-15
公開日2021-12-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Conformational adaptability determining antibody recognition to distomer: structure analysis of enantioselective antibody against chiral drug gatifloxacin
Rsc Adv, 11, 2021
6EB0
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BU of 6eb0 by Molmil
STRUCTURE OF 4-HYDROXYPHENYLACETATE 3-MONOOXYGENASE (HPAB), OXYGENASE COMPONENT FROM ESCHERICHIA COLI
分子名称: 4-hydroxyphenylacetate 3-monooxygenase, oxygenase subunit, ACETATE ION
著者Zhou, D, Kandavelu, P, Zhang, H, Wang, B.C, Yan, Y, Rose, J.
登録日2018-08-03
公開日2019-05-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structural Insights into Catalytic Versatility of the Flavin-dependent Hydroxylase (HpaB) from Escherichia coli.
Sci Rep, 9, 2019
6B1B
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BU of 6b1b by Molmil
STRUCTURE OF 4-HYDROXYPHENYLACETATE 3-MONOOXYGENASE (HPAB), OXYGENASE COMPONENT FROM ESCHERICHIA COLI MUTANT XS6 (APO Enzyme)
分子名称: 4-hydroxyphenylacetate 3-monooxygenase, oxygenase subunit, trimethylamine oxide
著者Zhou, D, Kandavelu, P, Wang, B.C, Yan, Y, Rose, J.P.
登録日2017-09-18
公開日2019-05-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.944 Å)
主引用文献Structural Insights into Catalytic Versatility of the Flavin-dependent Hydroxylase (HpaB) from Escherichia coli.
Sci Rep, 9, 2019
3TPJ
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BU of 3tpj by Molmil
APO structure of BACE1
分子名称: Beta-secretase 1, CHLORIDE ION, SULFATE ION, ...
著者Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L.
登録日2011-09-08
公開日2011-11-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
3TPL
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BU of 3tpl by Molmil
APO Structure of BACE1
分子名称: Beta-secretase 1, CHLORIDE ION, SULFATE ION
著者Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L.
登録日2011-09-08
公開日2011-11-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
3TPR
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BU of 3tpr by Molmil
Crystal structure of BACE1 complexed with an inhibitor
分子名称: Beta-secretase 1, CHLORIDE ION, N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE
著者Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L.
登録日2011-09-08
公開日2011-11-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
7YPZ
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BU of 7ypz by Molmil
Zafirlukast in complex with CRM1-Ran-RanBP1
分子名称: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ...
著者Sun, Q, Lei, Y.
登録日2022-08-05
公開日2023-08-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Searching for Novel Noncovalent Nuclear Export Inhibitors through a Drug Repurposing Approach.
J.Med.Chem., 66, 2023
2BX3
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BU of 2bx3 by Molmil
Crystal Structure of SARS Coronavirus Main Proteinase (P43212)
分子名称: 3C-like proteinase nsp5
著者Verschueren, K.H.G, Mesters, J.R, Hilgenfeld, R.
登録日2005-07-22
公開日2005-09-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ph-Dependent Conformational Flexibility of the Sars-Cov Main Proteinase (M(Pro)) Dimer: Molecular Dynamics Simulations and Multiple X-Ray Structure Analyses.
J.Mol.Biol., 354, 2005
2BX4
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BU of 2bx4 by Molmil
Crystal Structure of SARS Coronavirus Main Proteinase (P21212)
分子名称: 3C-like proteinase nsp5
著者Verschueren, K.H.G, Mesters, J.R, Bigalke, J, Hilgenfeld, R.
登録日2005-07-22
公開日2005-09-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Ph-Dependent Conformational Flexibility of the Sars-Cov Main Proteinase (M(Pro)) Dimer: Molecular Dynamics Simulations and Multiple X-Ray Structure Analyses.
J.Mol.Biol., 354, 2005
8HQ3
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BU of 8hq3 by Molmil
KL1 in complex with CRM1-Ran-RanBP1
分子名称: CHLORIDE ION, CRM1 isoform 1, DIMETHYL SULFOXIDE, ...
著者Sun, Q, Jian, L.
登録日2022-12-13
公開日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of Aminoratjadone Derivatives as Potent Noncovalent CRM1 Inhibitors.
J.Med.Chem., 66, 2023
8HQ6
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BU of 8hq6 by Molmil
KL2 in complex with CRM1-Ran-RanBP1
分子名称: CHLORIDE ION, CRM1 isoform 1, DIMETHYL SULFOXIDE, ...
著者Sun, Q, Jian, L.
登録日2022-12-13
公開日2023-10-25
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Discovery of Aminoratjadone Derivatives as Potent Noncovalent CRM1 Inhibitors.
J.Med.Chem., 66, 2023
7RNV
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BU of 7rnv by Molmil
SH2 domain of guanine nucleotide exchange factor Vav2 in complex with an actin peptide with phosphorylated tyrosine 53
分子名称: 1,2-ETHANEDIOL, Actin, alpha skeletal muscle, ...
著者Dai, S, Horton, J.R, Cheng, X.
登録日2021-07-29
公開日2021-08-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The Functional Analysis of a Major Tyrosine Phosphorylation Site on Actin
To Be Published
7RNS
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BU of 7rns by Molmil
nSH2 domain of p85-alpha subunit of phosphatidylinositol 3-kinase in complex with an actin peptide with phosphorylated tyrosine 53
分子名称: 1,2-ETHANEDIOL, Actin, alpha skeletal muscle, ...
著者Dai, S, Horton, J.R, Cheng, X.
登録日2021-07-29
公開日2021-08-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献The Functional Analysis of a Major Tyrosine Phosphorylation Site on Actin
To Be Published
7RNU
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BU of 7rnu by Molmil
nSH2 domain of p85-beta subunit of phosphatidylinositol 3-kinase in complex with an actin peptide with phosphorylated tyrosine 53
分子名称: 1,2-ETHANEDIOL, Actin, alpha skeletal muscle, ...
著者Dai, S, Horton, J.R, Cheng, X.
登録日2021-07-29
公開日2021-08-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The Functional Analysis of a Major Tyrosine Phosphorylation Site on Actin
To Be Published
2XTJ
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BU of 2xtj by Molmil
The crystal structure of PCSK9 in complex with 1D05 Fab
分子名称: CALCIUM ION, FAB FROM A HUMAN MONOCLONAL ANTIBODY, 1D05, ...
著者Di Marco, S, Volpari, C, Carfi, A.
登録日2010-10-10
公開日2010-11-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A Pcsk9-Binding Antibody that Structurally Mimics the Egf(A) Domain of Ldl-Receptor Reduces Ldl Cholesterol in Vivo.
J.Lipid Res., 52, 2011
6P9S
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BU of 6p9s by Molmil
E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 7
分子名称: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Ma, X, Shia, S, Ornelas, E.
登録日2019-06-10
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Two Distinct Mechanisms of Inhibition of LpxA Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
J.Am.Chem.Soc., 142, 2020
6P9Q
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BU of 6p9q by Molmil
E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 2
分子名称: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Ma, X, Shia, S, Ornelas, E.
登録日2019-06-10
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Two Distinct Mechanisms of Inhibition of LpxA Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
J.Am.Chem.Soc., 142, 2020
6P9R
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BU of 6p9r by Molmil
E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 6
分子名称: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Ma, X, Shia, S, Ornelas, E.
登録日2019-06-10
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Two Distinct Mechanisms of Inhibition of LpxA Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
J.Am.Chem.Soc., 142, 2020
6P9P
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BU of 6p9p by Molmil
E.coli LpxA in complex with Compound 1
分子名称: 3-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, ...
著者Ma, X, Shia, S, Ornelas, E.
登録日2019-06-10
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Two Distinct Mechanisms of Inhibition of LpxA Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
J.Am.Chem.Soc., 142, 2020
6P9T
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BU of 6p9t by Molmil
E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 8
分子名称: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Ma, X, Shia, S, Ornelas, E.
登録日2019-06-10
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Two Distinct Mechanisms of Inhibition of LpxA Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
J.Am.Chem.Soc., 142, 2020

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