9B3Q
 
 | | The structure of the human cardiac F-actin mutant A331P | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha cardiac muscle 1, ... | | 著者 | Doran, M.H, Sousa, D, Rynkiewicz, M.J, Lehman, W, Cammarato, A. | | 登録日 | 2024-03-20 | | 公開日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Structure of human cardiac actin
To Be Published
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9F4O
 | | UP1 in complex with Z991506900 | | 分子名称: | (3~{R})-3-methyl-1-(6-methylpyridin-2-yl)piperazine, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | | 著者 | Dunnett, L, Prischi, F. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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9FR2
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7C09
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9F4K
 | | UP1 in complex with ZINC72259689 | | 分子名称: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-(cyclobutylmethyl)-1,3-dimethyl-pyrazole-4-carboxamide | | 著者 | Dunnett, L, Prischi, F. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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9F55
 | | UP1 in complex with Z235361315 | | 分子名称: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-(3-azanyl-2-methyl-phenyl)propanamide | | 著者 | Dunnett, L, Prischi, F. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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8ZMN
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9BCB
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9EO8
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9IYK
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9EWQ
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9F52
 | | UP1 in complex with Z734147462 | | 分子名称: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, [4-(methylamino)oxan-4-yl]methanol | | 著者 | Dunnett, L, Prischi, F. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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9AYA
 | | Crystal structure of CRAF/MEK complex with NST-628 and active RAF dimer | | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide, ... | | 著者 | Quade, B, Huang, X. | | 登録日 | 2024-03-07 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | The Pan-RAF-MEK Nondegrading Molecular Glue NST-628 Is a Potent and Brain-Penetrant Inhibitor of the RAS-MAPK Pathway with Activity across Diverse RAS- and RAF-Driven Cancers.
Cancer Discov, 14, 2024
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9C4B
 | | Second BAF53a of the human TIP60 complex | | 分子名称: | Actin-like protein 6A | | 著者 | Yang, Z, Mameri, A, Florez Ariza, A.J, Cote, J, Nogales, E. | | 登録日 | 2024-06-03 | | 公開日 | 2024-08-14 | | 最終更新日 | 2024-09-11 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Structural insights into the human NuA4/TIP60 acetyltransferase and chromatin remodeling complex.
Science, 385, 2024
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8ZH6
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9EO5
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7KVI
 | | Human CYP3A4 bound to an inhibitor | | 分子名称: | Cytochrome P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Sevrioukova, I. | | 登録日 | 2020-11-28 | | 公開日 | 2021-01-20 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength.
Int J Mol Sci, 22, 2021
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8VM2
 | | Crystal Structure of NRAS Q61K bound to GTP | | 分子名称: | GTPase NRas, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Gebregiworgis, T, Chan, J.Y.L, Kuntz, D.A, Prive, G.G, Marshall, C.B, Ikura, M. | | 登録日 | 2024-01-12 | | 公開日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Crystal structure of NRAS Q61K with a ligand-induced pocket near switch II.
Eur J Cell Biol, 103, 2024
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8ZU2
 | | Crystal Structure of Human Myt1 Kinase domain Bounded with compound 8g | | 分子名称: | 2-azanyl-5-[2-(1,4-diazepan-1-yl)pyridin-4-yl]-3-(2,6-dimethyl-3-oxidanyl-phenyl)benzamide, GLYCINE, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase | | 著者 | Zhang, Z.M, Zhou, Z.Q. | | 登録日 | 2024-06-07 | | 公開日 | 2024-09-11 | | 最終更新日 | 2024-09-25 | | 実験手法 | X-RAY DIFFRACTION (1.79888582 Å) | | 主引用文献 | Structure-Based Drug Design of 2-Amino-[1,1'-biphenyl]-3-carboxamide Derivatives as Selective PKMYT1 Inhibitors for the Treatment of CCNE1 -Amplified Breast Cancer.
J.Med.Chem., 67, 2024
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8W7G
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6DH0
 | | Crystal structure of HIV-1 Protease NL4-3 I84V Mutant in complex with darunavir | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease | | 著者 | Lockbaum, G.J, Schiffer, C.A. | | 登録日 | 2018-05-18 | | 公開日 | 2018-12-26 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.899 Å) | | 主引用文献 | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
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9F4R
 | | UP1 in complex with Z802821712 | | 分子名称: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-ethyl-6-methylpyridazin-3-amine | | 著者 | Dunnett, L, Prischi, F. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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6DH8
 | | Crystal structure of HIV-1 Protease NL4-3 I50V Mutant in complex with UMass6 | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION | | 著者 | Lockbaum, G.J, Schiffer, C.A. | | 登録日 | 2018-05-18 | | 公開日 | 2018-12-26 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.951 Å) | | 主引用文献 | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
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9LPR
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9C1A
 | | Crystal structure of GDP-bound human M-RAS protein in crystal form I | | 分子名称: | GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Bester, S.M, Abrahamsen, R, Samora, L.R, Wu, W.-I, Mou, T.-C. | | 登録日 | 2024-05-28 | | 公開日 | 2024-09-11 | | 最終更新日 | 2024-09-18 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Crystal structure of the GDP-bound human M-RAS protein in two crystal forms.
Acta Crystallogr.,Sect.F, 80, 2024
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