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8F98
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BU of 8f98 by Molmil
Compound 8 bound to procaspase-6
分子名称: 5-fluoro-2-({[(3M)-3-(1H-imidazol-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6
著者Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R.
登録日2022-11-23
公開日2023-12-13
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
8F96
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BU of 8f96 by Molmil
Compound 3 bound to procaspase-6
分子名称: 5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6
著者Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R.
登録日2022-11-23
公開日2023-12-13
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
8F78
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BU of 8f78 by Molmil
Compound 1 bound to procaspase-6
分子名称: 5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol, CHLORIDE ION, Procaspase-6
著者Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R.
登録日2022-11-18
公開日2023-12-13
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
8FBV
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BU of 8fbv by Molmil
Compound 7 bound to procaspase-6
分子名称: 5-fluoro-2-({[(3M)-3-(1H-imidazol-2-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6
著者Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R.
登録日2022-11-30
公開日2023-12-13
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
7BR2
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BU of 7br2 by Molmil
BT4096 a gut microbial diltiazem-metabolizing enzyme
分子名称: Lipolytic enzyme, G-D-S-L family
著者Ko, T.-P, Chen, C.-C, Guo, R.-T.
登録日2020-03-26
公開日2020-05-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structure of a gut microbial diltiazem-metabolizing enzyme suggests possible substrate binding mode.
Biochem.Biophys.Res.Commun., 527, 2020
1LS4
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BU of 1ls4 by Molmil
NMR structure of apolipophorin-III from Locusta migratoria
分子名称: Apolipophorin-III
著者Fan, D, Wang, J.
登録日2002-05-16
公開日2003-06-17
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR solution structure and dynamics of an exchangeable apolipoprotein,locusta migratoria apolipophorin III.
J.Biol.Chem., 278, 2003
6A98
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BU of 6a98 by Molmil
Crystal structure of a cyclase from Fischerella sp. TAU
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, aromatic prenyltransferase, ...
著者Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2018-07-12
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
6A8X
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BU of 6a8x by Molmil
Crystal structure of a apo form cyclase from Fischerella sp.
分子名称: CALCIUM ION, aromatic prenyltransferase
著者Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2018-07-11
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
6A92
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BU of 6a92 by Molmil
Crystal structure of a cyclase Filc1 from Fischerella sp.
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, TETRAETHYLENE GLYCOL, ...
著者Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2018-07-11
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
6A9F
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BU of 6a9f by Molmil
Crystal structure of a cyclase from Fischerella sp. TAU in complex with 4-(1H-Indol-3-yl)butan-2-one
分子名称: 4-(1~{H}-indol-3-yl)butan-2-one, CALCIUM ION, GLYCEROL, ...
著者Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2018-07-13
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
6A99
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BU of 6a99 by Molmil
Crystal structure of a Stig cyclases Fisc from Fischerella sp. TAU in complex with (3Z)-3-(1-methyl-2-pyrrolidinylidene)-3H-indole
分子名称: (3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole, CALCIUM ION, MAGNESIUM ION, ...
著者Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2018-07-12
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
6ADU
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BU of 6adu by Molmil
Crystal structure of an enzyme in complex with ligand C
分子名称: (3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
著者Tan, X.K, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2018-08-02
公開日2019-08-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement.
Angew.Chem.Int.Ed.Engl., 57, 2018
6LON
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BU of 6lon by Molmil
Crystal structure of HPSG
分子名称: (2~{S})-2,3-bis(oxidanyl)propane-1-sulfonic acid, GLYCEROL, PFL2/glycerol dehydratase family glycyl radical enzyme, ...
著者Liu, J, Zhang, Y, Yuchi, Z.
登録日2020-01-06
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Two radical-dependent mechanisms for anaerobic degradation of the globally abundant organosulfur compound dihydroxypropanesulfonate.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KV9
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BU of 6kv9 by Molmil
MoeE5 in complex with UDP-glucuronic acid and NAD
分子名称: MoeE5, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID
著者Ko, T.-P, Liu, W, Sun, H, Liu, W, Chen, C.-C, Guo, R.-T.
登録日2019-09-03
公開日2019-11-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Structure of an antibiotic-synthesizing UDP-glucuronate 4-epimerase MoeE5 in complex with substrate.
Biochem.Biophys.Res.Commun., 521, 2020
5HCV
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BU of 5hcv by Molmil
Identification of Spirooxindole and Dibenzoxazepine Motifs as Potent Mineralocorticoid Receptor Antagonists
分子名称: 6-[(~{E})-(3-fluoranyl-6~{H}-benzo[c][1]benzoxepin-11-ylidene)methyl]-4~{H}-1,4-benzoxazin-3-one, CHLORIDE ION, Mineralocorticoid receptor
著者Chen, G, McKeever, B.M.
登録日2016-01-04
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identification of spirooxindole and dibenzoxazepine motifs as potent mineralocorticoid receptor antagonists.
Bioorg.Med.Chem., 24, 2016
4FMA
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BU of 4fma by Molmil
EspG structure
分子名称: ACETIC ACID, EspG protein, FORMIC ACID, ...
著者Shao, F, Zhu, Y, Hu, L.
登録日2012-06-16
公開日2012-09-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structurally Distinct Bacterial TBC-like GAPs Link Arf GTPase to Rab1 Inactivation to Counteract Host Defenses.
Cell(Cambridge,Mass.), 150, 2012
3PDU
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BU of 3pdu by Molmil
Crystal structure of gamma-hydroxybutyrate dehydrogenase from Geobacter sulfurreducens in complex with NADP+
分子名称: 3-hydroxyisobutyrate dehydrogenase family protein, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhang, Y, Garavito, R.M.
登録日2010-10-25
公開日2012-01-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural characterization of a beta-hydroxyacid dehydrogenase from Geobacter sulfurreducens and Geobacter metallireducens with succinic semialdehyde reductase activity.
Biochimie, 104, 2014
3PEF
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BU of 3pef by Molmil
Crystal structure of gamma-hydroxybutyrate dehydrogenase from Geobacter metallireducens in complex with NADP+
分子名称: 1,2-ETHANEDIOL, 6-phosphogluconate dehydrogenase, NAD-binding, ...
著者Zhang, Y, Garavito, R.M.
登録日2010-10-26
公開日2011-12-07
最終更新日2016-06-01
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural characterization of a beta-hydroxyacid dehydrogenase from Geobacter sulfurreducens and Geobacter metallireducens with succinic semialdehyde reductase activity.
Biochimie, 104, 2014
5IO1
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BU of 5io1 by Molmil
CRYSTAL STRUCTURE OF RECOMBINANT HUMAN Z ALPHA-1-ANTITRYPSIN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-1-antitrypsin
著者Zhou, A.
登録日2016-03-08
公開日2016-06-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.34 Å)
主引用文献Molecular Mechanism of Z alpha 1-Antitrypsin Deficiency
J. Biol. Chem., 291, 2016
5INW
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BU of 5inw by Molmil
Structure of reaction loop cleaved lamprey angiotensinogen
分子名称: C-terminal peptide of Putative angiotensinogen, Putative angiotensinogen, SULFATE ION
著者Wei, H, Zhou, A.
登録日2016-03-08
公開日2016-10-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Heparin Binds Lamprey Angiotensinogen and Promotes Thrombin Inhibition through a Template Mechanism
J.Biol.Chem., 291, 2016
6D06
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BU of 6d06 by Molmil
Human ADAR2d E488Y mutant complexed with dsRNA containing an abasic site opposite the edited base
分子名称: Double-stranded RNA-specific editase 1, INOSITOL HEXAKISPHOSPHATE, RNA (5'-R(*CP*AP*GP*AP*GP*CP*CP*CP*CP*CP*NP*AP*GP*CP*AP*UP*CP*GP*CP*GP*AP*GP*C)-3'), ...
著者Matthews, M.M, Fisher, A.J, Beal, P.A.
登録日2018-04-10
公開日2019-02-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献A Bump-Hole Approach for Directed RNA Editing.
Cell Chem Biol, 26, 2019
2H35
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BU of 2h35 by Molmil
Solution structure of Human normal adult hemoglobin
分子名称: Hemoglobin alpha subunit, Hemoglobin beta subunit, PROTOPORPHYRIN IX CONTAINING FE
著者Fan, J.S, Yang, D.
登録日2006-05-22
公開日2006-11-14
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献A new strategy for structure determination of large proteins in solution without deuteration
Nat.Methods, 3, 2006
2L8L
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BU of 2l8l by Molmil
Structure of an engineered splicing intein mutant based on Mycobacterium tuberculosis RecA
分子名称: Endonuclease PI-MtuI
著者Du, Z, Wang, C.
登録日2011-01-19
公開日2012-01-04
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献pK(a) coupling at the intein active site: implications for the coordination mechanism of protein splicing with a conserved aspartate.
J.Am.Chem.Soc., 133, 2011
5XFZ
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BU of 5xfz by Molmil
Crystal structure of a novel PET hydrolase R103G/S131A mutant from Ideonella sakaiensis 201-F6
分子名称: GLYCEROL, Poly(ethylene terephthalate) hydrolase, SULFATE ION
著者Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
登録日2017-04-11
公開日2017-12-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural insight into catalytic mechanism of PET hydrolase
Nat Commun, 8, 2017
5XH2
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BU of 5xh2 by Molmil
Crystal structure of a novel PET hydrolase R103G/S131A mutant in complex with pNP from Ideonella sakaiensis 201-F6
分子名称: P-NITROPHENOL, Poly(ethylene terephthalate) hydrolase, SULFATE ION
著者Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
登録日2017-04-19
公開日2017-12-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural insight into catalytic mechanism of PET hydrolase
Nat Commun, 8, 2017

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