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7CMW
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BU of 7cmw by Molmil
Complex structure of PARP1 catalytic domain with pamiparib
分子名称: (2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one, GLYCEROL, Poly [ADP-ribose] polymerase 1
著者Feng, Y.C, Peng, H, Hong, Y, Liu, Y.
登録日2020-07-29
公開日2020-12-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of Pamiparib (BGB-290), a Potent and Selective Poly (ADP-ribose) Polymerase (PARP) Inhibitor in Clinical Development.
J.Med.Chem., 63, 2020
6D1W
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BU of 6d1w by Molmil
human PKD2 F604P mutant
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Polycystin-2
著者Zheng, W, Yang, X, Bulkley, D, Chen, X.Z, Cao, E.
登録日2018-04-12
公開日2018-06-27
最終更新日2025-05-21
実験手法ELECTRON MICROSCOPY (3.54 Å)
主引用文献Hydrophobic pore gates regulate ion permeation in polycystic kidney disease 2 and 2L1 channels.
Nat Commun, 9, 2018
8E22
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BU of 8e22 by Molmil
VPS37A_21-148
分子名称: Vacuolar protein sorting-associated protein 37A
著者Tian, F, Ye, Y.S.
登録日2022-08-12
公開日2023-08-09
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Identification of membrane curvature sensing motifs essential for VPS37A phagophore recruitment and autophagosome closure.
Commun Biol, 7, 2024
6JME
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BU of 6jme by Molmil
Crystal structure of human DHODH in complex with inhibitor 0946
分子名称: 3-[3,5-bis(fluoranyl)-4-(2-fluorophenyl)phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
著者Yu, Y, Chen, Q.
登録日2019-03-08
公開日2020-03-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production.
J.Med.Chem., 63, 2020
8HF8
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BU of 8hf8 by Molmil
Human PPAR delta ligand binding domain in complex with a synthetic agonist V1
分子名称: 2-[4-[[2,5-bis(oxidanylidene)-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor delta, octyl beta-D-glucopyranoside
著者Dai, L, Sun, H.B, Yuan, H.L, Feng, Z.Q.
登録日2022-11-09
公開日2023-09-06
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Discovery of the First Subnanomolar PPAR alpha / delta Dual Agonist for the Treatment of Cholestatic Liver Diseases.
J.Med.Chem., 66, 2023
6JQH
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BU of 6jqh by Molmil
Crystal structure of MaDA
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, MaDA
著者Du, X.X, Lei, X.G.
登録日2019-03-31
公開日2020-04-08
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献FAD-dependent enzyme-catalysed intermolecular [4+2] cycloaddition in natural product biosynthesis.
Nat.Chem., 12, 2020
6WVR
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BU of 6wvr by Molmil
Tubulin dimers from a 13-protofilament, Taxol stabilized microtubule
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Debs, G.E, Cha, M, Huehn, A.R, Sindelar, C.V.
登録日2020-05-06
公開日2020-05-20
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Dynamic and asymmetric fluctuations in the microtubule wall captured by high-resolution cryoelectron microscopy.
Proc.Natl.Acad.Sci.USA, 117, 2020
7XTV
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BU of 7xtv by Molmil
The structure of MHET-bound TfCut S130A
分子名称: 4-(2-hydroxyethyloxycarbonyl)benzoic acid, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2022-05-18
公開日2023-03-29
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
7XTU
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BU of 7xtu by Molmil
The structure of TfCut S130A
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2022-05-18
公開日2023-03-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
7XTS
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BU of 7xts by Molmil
The apo structure of the engineered TfCut S130A
分子名称: SODIUM ION, alpha/beta hydrolase
著者Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2022-05-18
公開日2023-03-29
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
7XTT
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BU of 7xtt by Molmil
The structure of engineered TfCut S130A in complex with MHET
分子名称: 1,2-ETHANEDIOL, 4-(2-hydroxyethyloxycarbonyl)benzoic acid, SODIUM ION, ...
著者Yang, Y, Jiang, P.C, Huang, J.W, Chen, C.-C, Guo, R.-T.
登録日2022-05-18
公開日2023-03-29
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
7XTW
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BU of 7xtw by Molmil
The structure of IsPETase in complex with MHET
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-hydroxyethyloxycarbonyl)benzoic acid, GLYCEROL, ...
著者Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2022-05-18
公開日2023-03-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
7XTR
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BU of 7xtr by Molmil
The apo structure of the engineered TfCut
分子名称: GLYCEROL, LITHIUM ION, SULFATE ION, ...
著者Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2022-05-18
公開日2023-03-29
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
6WVM
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BU of 6wvm by Molmil
High curvature lateral interaction within a 13-protofilament, Taxol stabilized microtubule
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Debs, G.E, Cha, M, Huehn, A.R, Sindelar, C.V.
登録日2020-05-06
公開日2020-05-20
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Dynamic and asymmetric fluctuations in the microtubule wall captured by high-resolution cryoelectron microscopy.
Proc.Natl.Acad.Sci.USA, 117, 2020
5HZR
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BU of 5hzr by Molmil
Crystal structure of MtSnf2
分子名称: 3-(1-methylpiperidinium-1-yl)propane-1-sulfonate, SNF2-family ATP dependent chromatin remodeling factor like protein, SODIUM ION, ...
著者Chen, Z.C, Xia, X.
登録日2016-02-02
公開日2016-07-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structure of chromatin remodeler Swi2/Snf2 in the resting state
Nat.Struct.Mol.Biol., 23, 2016
8HCM
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BU of 8hcm by Molmil
zebrafish IRF-11 DBD complex with DNA
分子名称: DNA (5'-D(P*GP*CP*TP*TP*TP*CP*AP*CP*TP*TP*TP*CP*TP*A)-3'), DNA (5'-D(P*TP*AP*GP*AP*AP*AP*GP*TP*GP*AP*AP*AP*GP*C)-3'), Interferon regulatory factor
著者Wang, Z.X, Zhang, Y.A, Ouyang, S.Y.
登録日2022-11-02
公開日2024-05-15
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Crystal Structures of DNA-bound Fish IRF10 and IRF11 Reveal the Determinants of IFN Regulation.
J Immunol., 213, 2024
8HCL
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BU of 8hcl by Molmil
zebrafish IRF-10 DBD complex with DNA
分子名称: DNA (5'-D(P*AP*CP*TP*TP*TP*CP*AP*CP*TP*TP*CP*A)-3'), DNA (5'-D(P*TP*GP*AP*AP*GP*TP*GP*AP*AP*AP*GP*T)-3'), Interferon regulatory factor 10
著者Wang, Z.X, Zhang, Y.A, Ouyang, S.Y.
登録日2022-11-01
公開日2024-05-15
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Crystal Structures of DNA-bound Fish IRF10 and IRF11 Reveal the Determinants of IFN Regulation.
J Immunol., 213, 2024
8HCS
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BU of 8hcs by Molmil
zebrafish IRF-11 DBD
分子名称: Interferon regulatory factor
著者Wang, Z.X, Zhang, Y.A, Ouyang, S.Y.
登録日2022-11-03
公開日2024-05-15
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal Structures of DNA-bound Fish IRF10 and IRF11 Reveal the Determinants of IFN Regulation.
J Immunol., 213, 2024
6JMD
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BU of 6jmd by Molmil
Crystal structure of human DHODH in complex with inhibitor 1223
分子名称: 3-[3,5-bis(fluoranyl)-4-[3-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
著者Yu, Y, Chen, Q.
登録日2019-03-08
公開日2020-03-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.781 Å)
主引用文献Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production.
J.Med.Chem., 63, 2020
6K5M
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BU of 6k5m by Molmil
The crystal structure of a serotonin N-acetyltransferase from Oryza Sativa (Rice)
分子名称: Serotonin N-acetyltransferase 1, chloroplastic
著者Zhou, Y.Z, Liao, L.J, Liu, X.K, Guo, Y, Zhao, Y.C, Zeng, Z.X.
登録日2019-05-29
公開日2020-06-03
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.793 Å)
主引用文献Structural and Molecular Dynamics Analysis of Plant Serotonin N-Acetyltransferase Reveal an Acid/Base-Assisted Catalysis in Melatonin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
6KHO
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BU of 6kho by Molmil
Crystal structure of Oryza sativa TDC with PLP
分子名称: ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Zhou, Y.Z, Liao, L.J, Liu, X.K, Guo, Y, Zhao, Y.C, Zeng, Z.X.
登録日2019-07-16
公開日2020-07-15
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (1.972 Å)
主引用文献Crystal structure ofOryza sativaTDC reveals the substrate specificity for TDC-mediated melatonin biosynthesis.
J Adv Res, 24, 2020
6KHN
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BU of 6khn by Molmil
Crystal structure of Oryza sativa TDC with PLP and SEROTONIN
分子名称: ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Zhou, Y.Z, Liao, L.J, Liu, X.K, Guo, Y, Zhao, Y.C, Zeng, Z.X.
登録日2019-07-16
公開日2020-07-15
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (2.293 Å)
主引用文献Crystal structure ofOryza sativaTDC reveals the substrate specificity for TDC-mediated melatonin biosynthesis.
J Adv Res, 24, 2020
6KHP
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BU of 6khp by Molmil
Crystal structure of Oryza sativa TDC with PLP and tryptamine
分子名称: 2-(1H-INDOL-3-YL)ETHANAMINE, ACETATE ION, CALCIUM ION, ...
著者Zhou, Y.Z, Liao, L.J, Liu, X.K, Guo, Y, Zhao, Y.C, Zeng, Z.X.
登録日2019-07-16
公開日2020-07-15
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献Crystal structure ofOryza sativaTDC reveals the substrate specificity for TDC-mediated melatonin biosynthesis.
J Adv Res, 24, 2020
8RZ3
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BU of 8rz3 by Molmil
Structures of Se- glycosyltransferase SenB from Variovorax paradoxus
分子名称: TIGR04348 family glycosyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
著者Ma, Y.Y, Gao, Y, Xu, S.H.
登録日2024-02-12
公開日2024-09-11
最終更新日2024-09-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structures of SenB and SenA enzymes from Variovorax paradoxus provide insights into carbon-selenium bond formation in selenoneine biosynthesis.
Heliyon, 10, 2024
5GPO
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BU of 5gpo by Molmil
The sensor domain structure of the zinc-responsive histidine kinase CzcS from Pseudomonas Aeruginosa
分子名称: SULFATE ION, Sensor protein CzcS, ZINC ION
著者Wang, D, Chen, W.Z, Huang, S.Q, Liu, X.C, Hu, Q.Y, Wei, T.B, Gan, J.H, Chen, H.
登録日2016-08-03
公開日2017-08-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Structural basis of Zn(II) induced metal detoxification and antibiotic resistance by histidine kinase CzcS in Pseudomonas aeruginosa
PLoS Pathog., 13, 2017

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