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7DG4
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BU of 7dg4 by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 6
Descriptor: 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-10
Release date:2021-11-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DH9
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BU of 7dh9 by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 7
Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridin-4-yl]methanol
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-13
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHC
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BU of 7dhc by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 10
Descriptor: 4-[bis(fluoranyl)methyl]-2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-13
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.592 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHH
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BU of 7dhh by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 19
Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [9-(azetidin-3-ylmethylsulfanyl)-2,7-dimethoxy-acridin-4-yl]methanol
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-14
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.486 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHN
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BU of 7dhn by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 20
Descriptor: 7-methoxy-2-methylsulfanyl-9-(piperidin-4-ylmethylsulfanyl)-[1,3]thiazolo[5,4-b]quinoline, Dual specificity tyrosine-phosphorylation-regulated kinase 2
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-16
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHK
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BU of 7dhk by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 13
Descriptor: 2-methoxy-7-phenylmethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-16
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.341 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHV
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BU of 7dhv by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 8
Descriptor: 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine-4-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 2
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-17
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.679 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHO
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BU of 7dho by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 14
Descriptor: 2-methoxy-9-(piperidin-4-ylmethylsulfanyl)-7-propan-2-yloxy-acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-16
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DJO
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BU of 7djo by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 17
Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-20
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DKH
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BU of 7dkh by Molmil
Crystal structure of the Ctr9/Paf1/Cdc73/Rtf1 quaternary complex
Descriptor: Cell division control protein 73, RNA polymerase II-associated protein 1, RNA polymerase-associated protein CTR9, ...
Authors:Chen, F.L, Liu, B.B, Guo, L, Li, D.F, Zhou, H, Long, J.F.
Deposit date:2020-11-24
Release date:2021-11-24
Last modified:2022-01-05
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of the Core Module of the Yeast Paf1 Complex.
J.Mol.Biol., 434, 2021
7DL6
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BU of 7dl6 by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 18
Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3R)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-26
Release date:2021-12-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.648 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
5WFE
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BU of 5wfe by Molmil
Cas1-Cas2-IHF-DNA holo-complex
Descriptor: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (28-MER), ...
Authors:Wright, A.V, Liu, J.J, Nogales, E, Doudna, J.A.
Deposit date:2017-07-11
Release date:2017-08-02
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Structures of the CRISPR genome integration complex.
Science, 357, 2017
5WH8
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BU of 5wh8 by Molmil
Cellulase Cel5C_n
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PENTAETHYLENE GLYCOL, ...
Authors:Koropatkin, N.M, Pope, P.B, Naas, A.E.
Deposit date:2017-07-15
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:"Candidatus Paraporphyromonas polyenzymogenes" encodes multi-modular cellulases linked to the type IX secretion system.
Microbiome, 6, 2018
7E57
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BU of 7e57 by Molmil
Crystal structure of murine GITR-GITRL complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 18, Tumor necrosis factor receptor superfamily member 18, ...
Authors:Zhao, M, Tan, S, Fu, L, Chai, Y, Qi, J, Gao, G.F.
Deposit date:2021-02-18
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.302 Å)
Cite:Atypical TNF-TNFR superfamily binding interface in the GITR-GITRL complex for T cell activation.
Cell Rep, 36, 2021
7DXL
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BU of 7dxl by Molmil
Fragment-based Lead Discovery of Indazole-based Compounds as AXL Kinase Inhibitors
Descriptor: 3-[4-[6-chloranyl-5-[[(3R)-pyrrolidin-3-yl]amino]-1H-indazol-3-yl]pyrazol-1-yl]benzenecarbonitrile, Tyrosine-protein kinase Mer
Authors:Anantharajan, J, Baburajendran, N.
Deposit date:2021-01-19
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.146 Å)
Cite:Fragment-based lead discovery of indazole-based compounds as AXL kinase inhibitors.
Bioorg.Med.Chem., 49, 2021
5XYA
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BU of 5xya by Molmil
Crystal structure of a serine protease from Streptococcus species
Descriptor: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, CALCIUM ION, Chemokine protease C, ...
Authors:Jobichen, C, Sivaraman, J.
Deposit date:2017-07-06
Release date:2018-08-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of ScpC, a virulence protease fromStreptococcus pyogenes, reveals the functional domains and maturation mechanism.
Biochem. J., 475, 2018
5Y65
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BU of 5y65 by Molmil
Phosphoglycerate mutase 1 complexed with a small molecule inhibitor KH2
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Phosphoglycerate mutase 1, ...
Authors:Jiang, L.L, Zhou, L.
Deposit date:2017-08-10
Release date:2018-12-05
Method:X-RAY DIFFRACTION (2.554 Å)
Cite:Phosphoglycerate mutase 1 complexed with a small molecule inhibitor KH2
To Be Published
5YEM
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BU of 5yem by Molmil
CATPO mutant - T188F
Descriptor: CALCIUM ION, Catalase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yuzugullu Karakus, Y, Balci, S, Goc, G, Pearson, A.R, Yorke, B.
Deposit date:2017-09-18
Release date:2018-07-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Investigation of how gate residues in the main channel affect the catalytic activity of Scytalidium thermophilum catalase.
Acta Crystallogr D Struct Biol, 80, 2024
7EAX
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BU of 7eax by Molmil
Crystal complex of p53-V272M and antimony ion
Descriptor: ANTIMONY (III) ION, Cellular tumor antigen p53, ZINC ION
Authors:Lu, M, Tang, Y.
Deposit date:2021-03-08
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Repurposing antiparasitic antimonials to noncovalently rescue temperature-sensitive p53 mutations.
Cell Rep, 39, 2022
5WKC
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BU of 5wkc by Molmil
Saccharomyces cerevisiae acetohydroxyacid synthase in complex with the herbicide penoxsulam
Descriptor: (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide, 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(1~{S})-1-(dioxidanyl)-1-oxidanyl-ethyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, ...
Authors:Guddat, W.L, Lonhienne, G.T.
Deposit date:2017-07-25
Release date:2018-02-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.334 Å)
Cite:Structural insights into the mechanism of inhibition of AHAS by herbicides.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5Y8Y
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BU of 5y8y by Molmil
Crystal Structure Analysis of the BRD4
Descriptor: 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ...
Authors:Xu, Y, Zhang, Y, Song, M, Wang, C.
Deposit date:2017-08-21
Release date:2018-06-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
7DYS
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BU of 7dys by Molmil
CryoEM structure of full length mouse TRPML2
Descriptor: Mucolipin-2
Authors:Song, X.J, Li, J, Duan, J.J, Zhang, J.
Deposit date:2021-01-22
Release date:2022-03-23
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Cryo-EM structure of mouse TRPML2 in lipid nanodiscs.
J.Biol.Chem., 298, 2022
5WQL
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BU of 5wql by Molmil
Structure of a PDZ-protease bound to a substrate-binding adaptor
Descriptor: ALA-ALA-ALA-ALA, ALA-ALA-ALA-ALA-ALA-ALA, LEU-SER-ARG-SER, ...
Authors:Su, M.Y, Chang, C.I.
Deposit date:2016-11-27
Release date:2017-11-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of adaptor-mediated protein degradation by the tail-specific PDZ-protease Prc
Nat Commun, 8, 2017
7ELM
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BU of 7elm by Molmil
Structure of Csy-AcrIF24
Descriptor: AcrIF24, CRISPR type I-F/YPEST-associated protein Csy2, CRISPR-associated protein Csy3, ...
Authors:Zhang, L, Feng, Y.
Deposit date:2021-04-12
Release date:2022-04-20
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Insights into the inhibition of type I-F CRISPR-Cas system by a multifunctional anti-CRISPR protein AcrIF24.
Nat Commun, 13, 2022
7ELN
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BU of 7eln by Molmil
Structure of Csy-AcrIF24-dsDNA
Descriptor: 54-MER DNA, AcrIF24, CRISPR type I-F/YPEST-associated protein Csy2, ...
Authors:Zhang, L, Feng, Y.
Deposit date:2021-04-12
Release date:2022-04-20
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Insights into the inhibition of type I-F CRISPR-Cas system by a multifunctional anti-CRISPR protein AcrIF24.
Nat Commun, 13, 2022

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数据于2024-07-10公开中

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