8KGM
 
 | | Structure of African swine fever virus topoisomerase II in complex with dsDNA | | 分子名称: | DNA (38-MER), DNA topoisomerase 2 | | 著者 | Cong, J, Xin, Y, Li, X, Chen, Y. | | 登録日 | 2023-08-19 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-08-14 | | 実験手法 | ELECTRON MICROSCOPY (4.8 Å) | | 主引用文献 | Structural insights into the DNA topoisomerase II of the African swine fever virus.
Nat Commun, 15, 2024
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8KGN
 | | Structure of African swine fever virus topoisomerase II in complex with dsDNA | | 分子名称: | DNA (38-MER), DNA topoisomerase 2 | | 著者 | Cong, J, Xin, Y, Li, X, Chen, Y. | | 登録日 | 2023-08-19 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-08-14 | | 実験手法 | ELECTRON MICROSCOPY (5.9 Å) | | 主引用文献 | Structural insights into the DNA topoisomerase II of the African swine fever virus.
Nat Commun, 15, 2024
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8WHB
 | | Structure of nucleosome core particle of Arabidopsis thaliana | | 分子名称: | DNA (antisense strand), DNA (sense strand), Histone H2A.6, ... | | 著者 | Liu, Y, Zhang, Z, Du, J. | | 登録日 | 2023-09-23 | | 公開日 | 2024-04-17 | | 実験手法 | ELECTRON MICROSCOPY (3.17 Å) | | 主引用文献 | Molecular basis of chromatin remodelling by DDM1 involved in plant DNA methylation.
Nat.Plants, 10, 2024
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8WH8
 | | Structure of DDM1-nucleosome complex in ADP state | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase DDM1, DNA (antisense strand), ... | | 著者 | Liu, Y, Zhang, Z, Du, J. | | 登録日 | 2023-09-22 | | 公開日 | 2024-04-17 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Molecular basis of chromatin remodelling by DDM1 involved in plant DNA methylation.
Nat.Plants, 10, 2024
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5Q0E
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4S,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,5,6,7,8,10-octahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | 著者 | Sheriff, S. | | 登録日 | 2017-05-01 | | 公開日 | 2017-07-12 | | 最終更新日 | 2018-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
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5Q0H
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4R,5E,8S)-11-chloro-8-[(2,6-difluoro-4-methylbenzene-1-carbonyl)amino]-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | 著者 | Sheriff, S. | | 登録日 | 2017-05-01 | | 公開日 | 2017-07-12 | | 最終更新日 | 2018-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
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5Q0D
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate | | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | 著者 | Sheriff, S. | | 登録日 | 2017-05-01 | | 公開日 | 2017-07-12 | | 最終更新日 | 2018-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
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5Q0F
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4R,5E,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, MET-ASP-ASP-ASP-ASP-LYS-MET-ASP-ASN-GLU-CYS-THR-THR-LYS-ILE-LYS-PRO-ARG, ... | | 著者 | Sheriff, S. | | 登録日 | 2017-05-01 | | 公開日 | 2017-07-12 | | 最終更新日 | 2018-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
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8UAC
 | | CATHEPSIN L IN COMPLEX WITH AC1115 | | 分子名称: | Cathepsin L, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide | | 著者 | Chao, A, DuPrez, K.T, Han, F.Q. | | 登録日 | 2023-09-20 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-08-21 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Olgotrelvir, a dual inhibitor of SARS-CoV-2 M pro and cathepsin L, as a standalone antiviral oral intervention candidate for COVID-19.
Med, 5, 2024
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5OEP
 | | Mycobacterium tuberculosis DprE1 in complex with inhibitor TCA481 | | 分子名称: | Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | | 著者 | Futterer, K, Batt, S.M, Besra, G.S. | | 登録日 | 2017-07-09 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5OEL
 | | Mycobacterium tuberculosis DprE1 mutant Y314C in complex with TCA1 | | 分子名称: | Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ethyl ({2-[(1,3-benzothiazol-2-ylcarbonyl)amino]thiophen-3-yl}carbonyl)carbamate | | 著者 | Futterer, K, Batt, S.M, Besra, G.S. | | 登録日 | 2017-07-08 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5OEQ
 | | Mycobacterium tuberculosis DprE1 in complex with inhibitor TCA020 | | 分子名称: | Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | | 著者 | Futterer, K, Batt, S.M, Besra, G.S. | | 登録日 | 2017-07-09 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5Q0G
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-ethyl-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate | | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | 著者 | Sheriff, S. | | 登録日 | 2017-05-01 | | 公開日 | 2017-07-12 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
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7YOT
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7YOU
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7YOV
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6LOX
 | | Crystal Structure of human glutaminase with macrocyclic inhibitor | | 分子名称: | (E)-15,22-Dioxa-4,11-diaza-5(2,5)-thiadiazola-10(3,6)-pyridazina-1,14(1,3)-dibenzenacyclodocosaphan-18-ene-3,12-dione, Glutaminase kidney isoform, mitochondrial | | 著者 | Bian, J, Li, Z, Xu, X, Wang, J, Li, L. | | 登録日 | 2020-01-07 | | 公開日 | 2021-01-13 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structure-Enabled Discovery of Novel Macrocyclic Inhibitors Targeting Glutaminase 1 Allosteric Binding Site.
J.Med.Chem., 64, 2021
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4X6M
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4X6N
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4X6O
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4X6P
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5YU9
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7MBO
 | | FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR Milvexian (BMS-986177), IUPAC NAME:(6R,10S)-10-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6- oxopyrimidin-1(6H)-yl}-1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-15,11- (metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6H)-one | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, Milvexian | | 著者 | Sheriff, S. | | 登録日 | 2021-04-01 | | 公開日 | 2021-09-15 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (0.924 Å) | | 主引用文献 | Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy.
J.Med.Chem., 65, 2022
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4Y05
 | | KIF2C short Loop2 construct | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF2C, MAGNESIUM ION, ... | | 著者 | Wang, W, Knossow, M, Gigant, B. | | 登録日 | 2015-02-05 | | 公開日 | 2015-06-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | New Insights into the Coupling between Microtubule Depolymerization and ATP Hydrolysis by Kinesin-13 Protein Kif2C.
J.Biol.Chem., 290, 2015
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6W7G
 | | Structure of EED bound to inhibitor 1056 | | 分子名称: | 8-(2,6-dimethylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, FORMIC ACID, Polycomb protein EED, ... | | 著者 | Petrunak, E.M, Stuckey, J.A. | | 登録日 | 2020-03-19 | | 公開日 | 2020-07-08 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development.
J.Med.Chem., 63, 2020
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