8TXH
 
 | | Crystal structure of KRAS G12D in complex with GDP and compound 14 | | 分子名称: | (4P)-2-amino-4-{4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Chen, P, Irimia, A, Yang, Z. | | 登録日 | 2023-08-23 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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7YW4
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7YPE
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7YW2
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8TXE
 | | Crystal structure of KRAS G12D in complex with GDP and compound 5 | | 分子名称: | (6M)-6-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Chen, P, Irimia, A, Yang, Z. | | 登録日 | 2023-08-23 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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7YPF
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6LNT
 | | Cryo-EM structure of immature Zika virus in complex with human antibody DV62.5 Fab | | 分子名称: | Envelope protein, Fab DV62.5 heavy-chain variable region, Fab DV62.5 light-chain variable region, ... | | 著者 | Tan, T.Y, Fibriansah, G, Kostyuchenko, V.A, Ng, T.S, Lim, X.X, Lim, X.N, Shi, J, Morais, M.C, Corti, D, Lok, S.M. | | 登録日 | 2020-01-02 | | 公開日 | 2020-02-26 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (8 Å) | | 主引用文献 | Capsid protein structure in Zika virus reveals the flavivirus assembly process.
Nat Commun, 11, 2020
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6LUI
 | | Crystal structure of the SAMD1 WH domain and DNA complex | | 分子名称: | Atherin, DNA (5'-D(*AP*CP*CP*TP*GP*CP*GP*CP*AP*CP*CP*AP*T)-3'), DNA (5'-D(*AP*TP*GP*GP*TP*GP*CP*GP*CP*AP*GP*GP*T)-3') | | 著者 | Zhou, Y, Cao, Y, Wang, Z. | | 登録日 | 2020-01-29 | | 公開日 | 2021-02-03 | | 最終更新日 | 2021-07-07 | | 実験手法 | X-RAY DIFFRACTION (1.781 Å) | | 主引用文献 | The SAM domain-containing protein 1 (SAMD1) acts as a repressive chromatin regulator at unmethylated CpG islands.
Sci Adv, 7, 2021
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6LUJ
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3R4N
 | | Optimization of Potent, Selective, and Orally Bioavailable Pyrrolodinopyrimidine-containing Inhibitors of Heat Shock Protein 90. Identification of Development Candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide | | 分子名称: | 4-[2-chloro-6-(4,4,4-trifluorobutoxy)phenyl]-6-methylpyrimidin-2-amine, Heat shock protein HSP 90-alpha | | 著者 | Gajiwala, K.S. | | 登録日 | 2011-03-17 | | 公開日 | 2011-04-27 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.
J.Med.Chem., 54, 2011
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7YW5
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8HL4
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3R4O
 | | Optimization of Potent, Selective, and Orally Bioavailable Pyrrolodinopyrimidine-containing Inhibitors of Heat Shock Protein 90. Identification of Development Candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide | | 分子名称: | 2-amino-N-cyclobutyl-4-[2,4-dichloro-6-(4,4,4-trifluorobutoxy)phenyl]-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide, Heat shock protein HSP 90-alpha | | 著者 | Gajiwala, K.S. | | 登録日 | 2011-03-17 | | 公開日 | 2011-04-27 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.
J.Med.Chem., 54, 2011
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7EIB
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3RYT
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4R5S
 | | Crystal structure of EGFR 696-1022 L858R in complex with FIIN-3 | | 分子名称: | Epidermal growth factor receptor, N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide | | 著者 | Zhu, S.J, Yun, C.H. | | 登録日 | 2014-08-22 | | 公開日 | 2014-11-12 | | 最終更新日 | 2022-08-24 | | 実験手法 | X-RAY DIFFRACTION (3.001 Å) | | 主引用文献 | Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014
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6PBT
 | | Pseudopaline Dehydrogenase with (R)-Pseudopaline Soaked 2 hours | | 分子名称: | 1,2-ETHANEDIOL, N-[(3S)-3-amino-3-carboxypropyl]-L-histidine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | McFarlane, J.S, Lamb, A.L. | | 登録日 | 2019-06-14 | | 公開日 | 2019-10-30 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Staphylopine and pseudopaline dehydrogenase from bacterial pathogens catalyze reversible reactions and produce stereospecific metallophores.
J.Biol.Chem., 294, 2019
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6V97
 | | Kindlin-3 double deletion mutant short form | | 分子名称: | Fermitin family homolog 3 | | 著者 | Xu, Z, Zhang, T.L, Xu, Z, Sun, J.J, Ding, J.P, Ma, Y.Q. | | 登録日 | 2019-12-13 | | 公開日 | 2020-07-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.381 Å) | | 主引用文献 | Structure basis of the FERM domain of kindlin-3 in supporting integrin alpha IIb beta 3 activation in platelets.
Blood Adv, 4, 2020
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6V9G
 | | Kindlin-3 double deletion mutant long form | | 分子名称: | Fermitin family homolog 3 | | 著者 | Xu, Z, Zhang, T.L, Xu, Z, Sun, J.J, Ding, J.P, Ma, Y.Q. | | 登録日 | 2019-12-13 | | 公開日 | 2020-07-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structure basis of the FERM domain of kindlin-3 in supporting integrin alpha IIb beta 3 activation in platelets.
Blood Adv, 4, 2020
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8FQ7
 | | Nanobody with WIW inserted in CDR3 loop to Inhibit Growth of Alzheimer's Tau fibrils | | 分子名称: | GLYCEROL, Nanobody with WIW insert in CDR3 loop to target tau fibrils | | 著者 | Abskharon, R, Sawaya, M.R, Cascio, D.C, Eisenberg, D.S. | | 登録日 | 2023-01-05 | | 公開日 | 2023-10-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structure-based design of nanobodies that inhibit seeding of Alzheimer's patient-extracted tau fibrils.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8HL1
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4QQC
 | | Crystal Structure of FGF Receptor (FGFR) 4 Kinase Domain in Complex with FIIN-2, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR Kinase Gate-Keeper Mutations | | 分子名称: | Fibroblast growth factor receptor 4, N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide, SULFATE ION | | 著者 | Huang, Z, Mohammadi, M. | | 登録日 | 2014-06-27 | | 公開日 | 2014-10-29 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014
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6PBN
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5Y2G
 | | Structure of MBP tagged GBS CAMP | | 分子名称: | Maltose-binding periplasmic protein,Protein B, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | 著者 | Jin, T, Li, Y. | | 登録日 | 2017-07-25 | | 公開日 | 2019-02-27 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structure determination of the CAMP factor of Streptococcus agalactiae with the aid of an MBP tag and insights into membrane-surface attachment.
Acta Crystallogr D Struct Biol, 75, 2019
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5Y8Z
 | | Crystal Structure Analysis of the BRD4 | | 分子名称: | 1,2-ETHANEDIOL, 5-bromanyl-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide, Bromodomain-containing protein 4, ... | | 著者 | Xu, Y, Zhang, Y, Song, M, Wang, C. | | 登録日 | 2017-08-22 | | 公開日 | 2018-06-13 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | 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
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