5GW1
 
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7KID
 | | PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 72 | | 分子名称: | (1S,2R,3aR,4S,6aR)-4-[(2-amino-3,5-difluoroquinolin-7-yl)methyl]-2-(4-amino-5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydropentalene-1,6a(1H)-diol, 1,2-ETHANEDIOL, Methylosome protein 50, ... | | 著者 | Palte, R.L. | | 登録日 | 2020-10-23 | | 公開日 | 2021-04-21 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 64, 2021
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7KIC
 | | PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 34 | | 分子名称: | (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol, 1,2-ETHANEDIOL, Methylosome protein 50, ... | | 著者 | Palte, R.L. | | 登録日 | 2020-10-23 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 64, 2021
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7KIB
 | | PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 4 | | 分子名称: | (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Palte, R.L, Hayes, R.P. | | 登録日 | 2020-10-23 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 64, 2021
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7EU9
 | | Crystal structure of the selenomethionine(SeMet)-derived Cas12i1 R-loop complex before target DNA cleavage | | 分子名称: | CITRIC ACID, Cas12i1 D647A mutant, DNA (24-MER), ... | | 著者 | Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y. | | 登録日 | 2021-05-16 | | 公開日 | 2021-05-26 | | 最終更新日 | 2021-06-23 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1.
Nat Commun, 12, 2021
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5KIW
 | | p97 ND1-L198W in complex with VIMP | | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Selenoprotein S, ... | | 著者 | Tang, W.K, Xia, D. | | 登録日 | 2016-06-17 | | 公開日 | 2018-03-07 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.41 Å) | | 主引用文献 | Structural basis for nucleotide-modulated p97 association with the ER membrane.
Cell Discov, 3, 2017
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3THB
 | | Structure of PLK1 kinase domain in complex with a benzolactam-derived inhibitor | | 分子名称: | 9-chloro-2-({5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl}amino)-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazepine-6-thi one, Serine/threonine-protein kinase PLK1, ZINC ION | | 著者 | Sintchak, M.D. | | 登録日 | 2011-08-18 | | 公開日 | 2011-11-23 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Discovery of a Potent and Orally Bioavailable Benzolactam-Derived Inhibitor of Polo-Like Kinase 1 (MLN0905).
J.Med.Chem., 55, 2012
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6UXY
 | | PRMT5:MEP50 Complexed with Allosteric Inhibitor Compound 8 | | 分子名称: | (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one, 1,2-ETHANEDIOL, GLYCEROL, ... | | 著者 | Palte, R.L, Schneider, S.E. | | 登録日 | 2019-11-08 | | 公開日 | 2020-08-19 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | Allosteric Modulation of Protein Arginine Methyltransferase 5 (PRMT5).
Acs Med.Chem.Lett., 11, 2020
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6UXX
 | | PRMT5:MEP50 Complexed with Allosteric Inhibitor Compound 1a | | 分子名称: | (5R)-2-amino-5-(4-methoxyphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-yl]-3,5-dihydro-4H-imidazol-4-one, Methylosome protein 50, Protein arginine N-methyltransferase 5 | | 著者 | Palte, R.L, Schneider, S.E. | | 登録日 | 2019-11-08 | | 公開日 | 2020-08-19 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Allosteric Modulation of Protein Arginine Methyltransferase 5 (PRMT5).
Acs Med.Chem.Lett., 11, 2020
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6VYA
 | | Crystal structure of NotF in complex with brevianamide F and DMSPP | | 分子名称: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, DIMETHYLALLYL S-THIOLODIPHOSPHATE, Deoxybrevianamide E synthase notF | | 著者 | Dan, Q, Smith, J.L. | | 登録日 | 2020-02-25 | | 公開日 | 2021-02-03 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Data Science-Driven Analysis of Substrate-Permissive Diketopiperazine Reverse Prenyltransferase NotF: Applications in Protein Engineering and Cascade Biocatalytic Synthesis of (-)-Eurotiumin A.
J.Am.Chem.Soc., 144, 2022
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6VY9
 | | Crystal structure of NotF prenyltransferase | | 分子名称: | Deoxybrevianamide E synthase notF | | 著者 | Dan, Q, Smith, J.L. | | 登録日 | 2020-02-25 | | 公開日 | 2021-02-03 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (3.19 Å) | | 主引用文献 | Data Science-Driven Analysis of Substrate-Permissive Diketopiperazine Reverse Prenyltransferase NotF: Applications in Protein Engineering and Cascade Biocatalytic Synthesis of (-)-Eurotiumin A.
J.Am.Chem.Soc., 144, 2022
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2LKP
 | | solution structure of apo-NmtR | | 分子名称: | HTH-type transcriptional regulator NmtR | | 著者 | Lee, C, Giedroc, D. | | 登録日 | 2011-10-18 | | 公開日 | 2012-04-18 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution Structure of Mycobacterium tuberculosis NmtR in the Apo State: Insights into Ni(II)-Mediated Allostery.
Biochemistry, 51, 2012
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6NKI
 | | Structure of PhqB Reductase Domain from Penicillium fellutanum | | 分子名称: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NRPS | | 著者 | Dan, Q, Newmister, S.A, Smith, J.L, Sherman, D.H. | | 登録日 | 2019-01-07 | | 公開日 | 2019-10-09 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase.
Nat.Chem., 11, 2019
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6NKM
 | | Structure of PhqE D166N Reductase/Diels-Alderase from Penicillium fellutanum in complex with NADP+ and substrate | | 分子名称: | 3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-8H-pyrrolo[1,2-a]pyrazin-5-ium-1-olate, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase | | 著者 | Newmister, S.A, Dan, Q, Smith, J.L, Sherman, D.H. | | 登録日 | 2019-01-07 | | 公開日 | 2019-10-09 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.896 Å) | | 主引用文献 | Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase.
Nat.Chem., 11, 2019
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7B3E
 | | Crystal structure of myricetin covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 | | 分子名称: | 1,2-ETHANEDIOL, 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, CHLORIDE ION, ... | | 著者 | Costanzi, E, Demitri, N, Giabbai, B, Storici, P. | | 登録日 | 2020-11-30 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Identification of Inhibitors of SARS-CoV-2 3CL-Pro Enzymatic Activity Using a Small Molecule in Vitro Repurposing Screen.
Acs Pharmacol Transl Sci, 4, 2021
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8PO2
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8PO0
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8PO3
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8PO1
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8PO4
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8PNZ
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2QJ0
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4ON3
 | | Crystal structure of human sorting nexin 10 (SNX10) | | 分子名称: | NITRATE ION, PENTAETHYLENE GLYCOL, SODIUM ION, ... | | 著者 | Xu, T, Xu, J, Wang, Q, Liu, J. | | 登録日 | 2014-01-28 | | 公開日 | 2014-09-24 | | 最終更新日 | 2014-12-03 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure of human SNX10 reveals insights into its role in human autosomal recessive osteopetrosis.
Proteins, 82, 2014
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2QIZ
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3L59
 | | Structure of BACE Bound to SCH710413 | | 分子名称: | (2Z)-3-(3-chlorobenzyl)-2-imino-5,5-dimethylimidazolidin-4-one, Beta-secretase 1, D(-)-TARTARIC ACID | | 著者 | Strickland, C, Zhu, Z. | | 登録日 | 2009-12-21 | | 公開日 | 2010-02-16 | | 最終更新日 | 2018-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
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