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7F03
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BU of 7f03 by Molmil
Cytochrome c-type biogenesis protein CcmABCD from E. coli in complex with ANP
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, Cytochrome c biogenesis ATP-binding export protein CcmA, Heme exporter protein B, ...
著者Li, J, Zheng, W, Gu, M, Zhang, K, Zhu, J.P.
登録日2021-06-03
公開日2022-11-09
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献Structures of the CcmABCD heme release complex at multiple states.
Nat Commun, 13, 2022
7VFP
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BU of 7vfp by Molmil
Cytochrome c-type biogenesis protein CcmABCD from E. coli in complex with heme and single ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cytochrome c biogenesis ATP-binding export protein CcmA, Heme exporter protein B, ...
著者Li, J, Zheng, W, Gu, M, Zhang, K, Zhu, J.P.
登録日2021-09-13
公開日2022-11-09
実験手法ELECTRON MICROSCOPY (4.03 Å)
主引用文献Structures of the CcmABCD heme release complex at multiple states.
Nat Commun, 13, 2022
7VFJ
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BU of 7vfj by Molmil
Cytochrome c-type biogenesis protein CcmABCD
分子名称: Cytochrome c biogenesis ATP-binding export protein CcmA, Heme exporter protein B, Heme exporter protein C, ...
著者Zhu, J.P, Zhang, K, Li, J, Zheng, W, Gu, M.
登録日2021-09-13
公開日2022-11-09
実験手法ELECTRON MICROSCOPY (3.98 Å)
主引用文献Structures of the CcmABCD heme release complex at multiple states.
Nat Commun, 13, 2022
7WCC
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BU of 7wcc by Molmil
Oxidase ChaP-D49L/Q91C mutant
分子名称: ChaP, FE (III) ION
著者Sun, M.X, Zheng, W, Wang, Y.S, Zhu, J.P, Tan, R.X.
登録日2021-12-19
公開日2023-05-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Oxidase ChaP-D49L/Q91C mutant
To Be Published
7WB2
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BU of 7wb2 by Molmil
Oxidase ChaP-D49L/Y109F mutant
分子名称: ChaP, FE (III) ION
著者Zong, Y, Zheng, W, Wang, Y, Zhu, J, Tan, R.
登録日2021-12-15
公開日2022-05-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Alteration of the Catalytic Reaction Trajectory of a Vicinal Oxygen Chelate Enzyme by Directed Evolution.
Angew.Chem.Int.Ed.Engl., 61, 2022
7W5E
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BU of 7w5e by Molmil
Oxidase ChaP D49L mutant
分子名称: ChaP, FE (III) ION
著者Wang, Y, Zheng, W, Meng, Z, Jin, Y, Zhu, J, Tan, R.
登録日2021-11-30
公開日2022-10-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Alteration of the Catalytic Reaction Trajectory of a Vicinal Oxygen Chelate Enzyme by Directed Evolution.
Angew.Chem.Int.Ed.Engl., 61, 2022
4FGY
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BU of 4fgy by Molmil
Identification of a unique PPAR ligand with an unexpected binding mode and antibetic activity
分子名称: (4R,6S,8S,12R,14R,16Z,18R,19R,20S,21S)-19,21-dihydroxy-22-{(2S,2'R,5S,5'S)-5'-[(1R)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9,11-dioxodocos-16-enoic acid, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
著者Wang, R, Li, Y.
登録日2012-06-05
公開日2013-03-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Identification of the antibiotic ionomycin as an unexpected peroxisome proliferator-activated receptor Gamma (PPAR-gamma) ligand with a unique binding mode and effective glucose-lowering activity in a mouse model of diabetes.
Diabetologia, 56, 2013
4H12
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BU of 4h12 by Molmil
The crystal structure of methyltransferase domain of human SET domain-containing protein 2 in complex with S-adenosyl-L-homocysteine
分子名称: CHLORIDE ION, Histone-lysine N-methyltransferase SETD2, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Amaya, M.F, Dong, A, Zeng, H, Mackenzie, F, Bunnage, M, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
登録日2012-09-10
公開日2012-10-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Sinefungin Derivatives as Inhibitors and Structure Probes of Protein Lysine Methyltransferase SETD2.
J.Am.Chem.Soc., 134, 2012
7LF6
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BU of 7lf6 by Molmil
Structure of lysosomal membrane protein
分子名称: Endosomal/lysosomal potassium channel TMEM175
著者Shen, C, Fu, T.M, Wang, L.F, Rawson, S, Wu, H.
登録日2021-01-15
公開日2022-01-26
最終更新日2023-08-09
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献pH regulates potassium conductance and drives a constitutive proton current in human TMEM175.
Sci Adv, 8, 2022
5F1M
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BU of 5f1m by Molmil
Crystal structure of Serine/threonine phosphatase Stp1 from Staphylococcus aureus
分子名称: MANGANESE (II) ION, Phosphorylated protein phosphatase
著者Zheng, W.H, Wang, T, Li, Z.G.
登録日2015-11-30
公開日2016-08-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.322 Å)
主引用文献Structure-Based Identification of a Potent Inhibitor Targeting Stp1-Mediated Virulence Regulation in Staphylococcus aureus
Cell Chem Biol, 23, 2016
5H43
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BU of 5h43 by Molmil
Structural and mechanistical studies of the nuclear import by Importin-alpha
分子名称: Histone acetyltransferase KAT8, Importin subunit alpha-1
著者Wang, R, Li, Y.
登録日2016-10-28
公開日2017-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural insights into the nuclear import of the histone acetyltransferase males-absent-on-the-first by importin alpha 1
Traffic, 19, 2018
5IAW
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BU of 5iaw by Molmil
Novel natural FXR modulator with a unique binding mode
分子名称: (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxybenzoate, Bile acid receptor, Peptide from Nuclear receptor coactivator 2
著者Lu, Y, Li, Y.
登録日2016-02-22
公開日2017-03-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献A Novel Class of Natural FXR Modulators with a Unique Mode of Selective Co-regulator Assembly
Chembiochem, 18, 2017
5ICK
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BU of 5ick by Molmil
A unique binding model of FXR LBD with feroline
分子名称: (1S,2S,3Z,5S,8Z)-5-hydroxy-5,9-dimethyl-2-(propan-2-yl)cyclodeca-3,8-dien-1-yl 4-hydroxybenzoate, Bile acid receptor, Nuclear receptor coactivator 2
著者Lu, Y, Li, Y.
登録日2016-02-23
公開日2017-03-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献A Novel Class of Natural FXR Modulators with a Unique Mode of Selective Co-regulator Assembly
Chembiochem, 18, 2017
5Z12
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BU of 5z12 by Molmil
A structure of FXR/RXR
分子名称: (9cis)-retinoic acid, 1-methylethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate, Bile acid receptor, ...
著者Lu, Y, Li, Y.
登録日2017-12-23
公開日2018-07-04
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural insights into the heterodimeric complex of the nuclear receptors FXR and RXR
J. Biol. Chem., 293, 2018
4FIA
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BU of 4fia by Molmil
Crystal Structure of Human CYP46A1 P450 with bicalutamide Bound
分子名称: Cholesterol 24-hydroxylase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Stout, C.D, Pikuleva, I.A, Mast, N.
登録日2012-06-08
公開日2013-01-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Binding of a cyano- and fluoro-containing drug bicalutamide to cytochrome P450 46A1: unusual features and spectral response.
J.Biol.Chem., 288, 2013
6ZGC
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BU of 6zgc by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound Saracatinib (AZD0530)
分子名称: Activin receptor type I, N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE, PHOSPHATE ION, ...
著者Williams, E.P, Galan Bartual, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2020-06-18
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Saracatinib is an efficacious clinical candidate for fibrodysplasia ossificans progressiva.
JCI Insight, 6, 2021
6GMS
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BU of 6gms by Molmil
Solution NMR structure of the major type IV pilin PpdD from enterohemorrhagic Escherichia coli (EHEC)
分子名称: Prepilin peptidase-dependent protein D
著者Amorim, G.C, Bardiaux, B, Luna-Rico, A, Zeng, W, Guilvout, I, Egelman, E, Nilges, M, Francetic, O, Izadi-Pruneyre, N.
登録日2018-05-28
公開日2019-05-15
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structure and Assembly of the Enterohemorrhagic Escherichia coli Type 4 Pilus.
Structure, 27, 2019
4WVD
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BU of 4wvd by Molmil
Identification of a novel FXR ligand that regulates metabolism
分子名称: (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, Bile acid receptor, FORMIC ACID, ...
著者Wang, R, Li, Y.
登録日2014-11-05
公開日2015-02-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The antiparasitic drug ivermectin is a novel FXR ligand that regulates metabolism.
Nat Commun, 4, 2013
6M63
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BU of 6m63 by Molmil
Crystal structure of a cAMP sensor G-Flamp1.
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Chimera of Cyclic nucleotide-gated potassium channel mll3241 and Yellow fluorescent protein
著者Zhou, Z, Chen, S, Wang, L, Chu, J.
登録日2020-03-12
公開日2021-09-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A high-performance genetically encoded fluorescent indicator for in vivo cAMP imaging.
Nat Commun, 13, 2022
6QCJ
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Human Sirt6 in complex with ADP-ribose and the inhibitor catechin gallate
分子名称: (2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate, 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-6, ...
著者You, W, Steegborn, C.
登録日2018-12-28
公開日2019-12-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives.
Sci Rep, 9, 2019
6QCD
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BU of 6qcd by Molmil
Human Sirt6 in complex with ADP-ribose and the activator quercetin
分子名称: 1,2-ETHANEDIOL, 3,5,7,3',4'-PENTAHYDROXYFLAVONE, NAD-dependent protein deacetylase sirtuin-6, ...
著者You, W, Steegborn, C.
登録日2018-12-27
公開日2019-12-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives.
Sci Rep, 9, 2019
6QCN
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Human Sirt2 in complex with ADP-ribose and the inhibitor quercetin
分子名称: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ...
著者Riemer, S, You, W, Steegborn, C.
登録日2018-12-29
公開日2019-12-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives.
Sci Rep, 9, 2019
6QCE
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Human Sirt6 in complex with ADP-ribose and the activator isoquercetin
分子名称: 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-6, SULFATE ION, ...
著者You, W, Steegborn, C.
登録日2018-12-27
公開日2019-12-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives.
Sci Rep, 9, 2019
6QCH
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Human Sirt6 in complex with ADP-ribose and the activator cyanidin
分子名称: 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-6, SULFATE ION, ...
著者You, W, Steegborn, C.
登録日2018-12-28
公開日2019-12-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives.
Sci Rep, 9, 2019
6PWW
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BU of 6pww by Molmil
Cryo-EM structure of MLL1 in complex with RbBP5 and WDR5 bound to the nucleosome
分子名称: DNA (146-MER), Histone H2A type 1, Histone H2B 1.1, ...
著者Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U.
登録日2019-07-23
公開日2019-12-18
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Cryo-EM structure of the human MLL1 core complex bound to the nucleosome.
Nat Commun, 10, 2019

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