8A68
 
 | | Small molecule stabilizer (compound 5) for C-RAF(pS259) and 14-3-3 | | 分子名称: | 14-3-3 protein sigma, MAGNESIUM ION, RAF proto-oncogene serine/threonine-protein kinase, ... | | 著者 | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | | 登録日 | 2022-06-16 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
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8A6F
 | | Small molecule stabilizer (compound 8) for C-RAF and 14-3-3 | | 分子名称: | 1-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanyl-piperidin-1-yl]-3-[2-(dimethylamino)ethyldisulfanyl]propan-1-one, 14-3-3 protein sigma, CHLORIDE ION, ... | | 著者 | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | | 登録日 | 2022-06-17 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
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7ZYM
 | | Crystal Structure of EGFR-T790M/C797S in Complex with Brigatinib | | 分子名称: | 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, Epidermal growth factor receptor | | 著者 | Niggenaber, J, Kleinboelting, S, Mueller, M.P, Rauh, D. | | 登録日 | 2022-05-25 | | 公開日 | 2023-05-03 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines.
Acs Med.Chem.Lett., 14, 2023
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3VQ6
 | | HIV-1 IN core domain in complex with (1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol | | 分子名称: | (1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol, CADMIUM ION, POL polyprotein, ... | | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | | 登録日 | 2012-03-20 | | 公開日 | 2013-01-30 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
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2WU6
 | | Crystal Structure of the Human CLK3 in complex with DKI | | 分子名称: | 1,2-ETHANEDIOL, 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, CHLORIDE ION, ... | | 著者 | Muniz, J.R.C, Fedorov, O, King, O, Filippakopoulos, P, Bullock, A.N, Philips, C, Heightman, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S. | | 登録日 | 2009-09-30 | | 公開日 | 2009-10-20 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Specific Clk Inhibitors from a Novel Chemotype for Regulation of Alternative Splicing.
Chem.Biol, 18, 2011
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7ZYP
 | | Crystal Structure of EGFR-T790M/C797S in Complex with Reversible Aminopyrimidine 9 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, propan-2-yl 2-[[4-(4-azanylpiperidin-1-yl)-2-methoxy-phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | | 著者 | Niggenaber, J, Kleinboelting, S, Mueller, M.P, Rauh, D. | | 登録日 | 2022-05-25 | | 公開日 | 2023-05-03 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines.
Acs Med.Chem.Lett., 14, 2023
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4MEZ
 | | Crystal structure of M68L/M69T double mutant TEM-1 | | 分子名称: | Beta-lactamase TEM, CHLORIDE ION, GLYCEROL, ... | | 著者 | Park, J, Gobeil, S, Pelletier, J.N, Berghuis, A.M. | | 登録日 | 2013-08-27 | | 公開日 | 2014-10-15 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.047 Å) | | 主引用文献 | The Structural Dynamics of Engineered beta-Lactamases Vary Broadly on Three Timescales yet Sustain Native Function.
Sci Rep, 9, 2019
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6NDD
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1JMH
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2X31
 | | Modelling of the complex between subunits BchI and BchD of magnesium chelatase based on single-particle cryo-EM reconstruction at 7.5 ang | | 分子名称: | MAGNESIUM-CHELATASE 38 KDA SUBUNIT, MAGNESIUM-CHELATASE 60 KDA SUBUNIT | | 著者 | Lunqvist, J, Elmlund, H, Peterson Wulff, R, Berglund, L, Elmlund, D, Emanuelsson, C, Hebert, H, Willows, R.D, Hansson, M, Lindahl, M, Al-Karadaghi, S. | | 登録日 | 2010-01-19 | | 公開日 | 2010-11-10 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (7.5 Å) | | 主引用文献 | ATP-Induced Conformational Dynamics in the Aaa+ Motor Unit of Magnesium Chelatase.
Structure, 18, 2010
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1JMI
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3VT1
 | | Crystal structure of Ct1,3Gal43A in complex with galactose | | 分子名称: | Ricin B lectin, beta-D-galactopyranose | | 著者 | Jiang, D, Fan, J, Wang, X, Zhao, Y, Huang, B, Zhang, X.C. | | 登録日 | 2012-05-18 | | 公開日 | 2012-12-05 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (3.187 Å) | | 主引用文献 | Crystal structure of 1,3Gal43A, an exo-beta-1,3-galactanase from Clostridium thermocellum
J.Struct.Biol., 180, 2012
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7ZYQ
 | | Crystal Structure of EGFR-T790M/V948R in Complex with Reversible Aminopyrimidine 13 | | 分子名称: | CHLORIDE ION, Epidermal growth factor receptor, SODIUM ION, ... | | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | | 登録日 | 2022-05-25 | | 公開日 | 2023-05-03 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines.
Acs Med.Chem.Lett., 14, 2023
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6NO5
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6NFD
 | | beta-lactamase SHV-11 from Klebsiella pneumoniae strain NTUH-K2044 | | 分子名称: | 1,2-ETHANEDIOL, PHOSPHATE ION, beta-lactamase SHV-11 | | 著者 | Osipiuk, J, Welk, L, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2018-12-19 | | 公開日 | 2018-12-26 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | | 主引用文献 | beta-lactamase SHV-11 from Klebsiella pneumoniae strain NTUH-K2044
to be published
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7ZN1
 | | Avidin + Biotin-Tempo | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)hexanamide, ... | | 著者 | Milani, J, Lau, K, Pojer, F, Ansermet, J.P, Saenz, F. | | 登録日 | 2022-04-20 | | 公開日 | 2023-05-10 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Avidin + Biotin-Tempo
To Be Published
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4GLN
 | | Crystal Structure of Chemically Synthesized Heterochiral {D-Protein Antagonist plus VEGF-A} Protein Complex in space group P21/n | | 分子名称: | D-RFX001, Vascular endothelial growth factor A | | 著者 | Mandal, K, Uppalapati, M, Ault-Riche, D, Kenney, J, Lowitz, J, Sidhu, S, Kent, S.B.H. | | 登録日 | 2012-08-14 | | 公開日 | 2012-09-05 | | 最終更新日 | 2019-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Chemical synthesis and X-ray structure of a heterochiral {D-protein antagonist plus vascular endothelial growth factor} protein complex by racemic crystallography.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3VQC
 | | HIV-1 IN core domain in complex with (5-METHYL-3-PHENYL-1,2-OXAZOL-4-YL)METHANOL | | 分子名称: | (5-methyl-3-phenyl-1,2-oxazol-4-yl)methanol, CADMIUM ION, POL polyprotein, ... | | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | | 登録日 | 2012-03-21 | | 公開日 | 2013-01-30 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
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6NR9
 | | hTRiC-hPFD Class5 | | 分子名称: | Prefoldin subunit 1, Prefoldin subunit 2, Prefoldin subunit 3, ... | | 著者 | Gestaut, D, Roh, S.H, Ma, B, Pintilie, G, Joachimiak, L.A, Leitner, A, Walzthoeni, T, Aebersold, R, Chiu, W, Frydman, J. | | 登録日 | 2019-01-23 | | 公開日 | 2019-06-19 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (8.5 Å) | | 主引用文献 | The Chaperonin TRiC/CCT Associates with Prefoldin through a Conserved Electrostatic Interface Essential for Cellular Proteostasis.
Cell, 177, 2019
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6NTF
 | | Crystal structure of a computationally optimized H5 influenza hemagglutinin | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Huang, J, Bar-Peled, Y, Mousa, J.J. | | 登録日 | 2019-01-29 | | 公開日 | 2019-09-18 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural and antigenic characterization of a computationally-optimized H5 hemagglutinin influenza vaccine.
Vaccine, 37, 2019
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4D25
 | | Crystal structure of the Bombyx mori Vasa helicase (E339Q) in complex with RNA and AMPPNP | | 分子名称: | 5'-R(*UP*GP*AP*CP*AP*UP)-3', BMVLG PROTEIN, GLYCEROL, ... | | 著者 | Spinelli, P, Pillai, R.S, Kadlec, J, Cusack, S. | | 登録日 | 2014-05-07 | | 公開日 | 2014-06-18 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | RNA Clamping by Vasa Assembles a Pirna Amplifier Complex on Transposon Transcripts.
Cell(Cambridge,Mass.), 157, 2014
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4D55
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7SQQ
 | | 201Phi2-1 Chimallin Cubic (O, 24mer) assembly | | 分子名称: | Chimallin | | 著者 | Laughlin, T.G, Deep, A, Prichard, A.M, Seitz, C, Gu, Y, Enustun, E, Suslov, S, Khanna, K, Birkholz, E.A, Amaro, R.E, Pogliano, J, Corbett, K.D, Villa, E. | | 登録日 | 2021-11-06 | | 公開日 | 2022-07-27 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | | 主引用文献 | Architecture and self-assembly of the jumbo bacteriophage nuclear shell.
Nature, 608, 2022
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6NHJ
 | | Atomic structures and deletion mutant reveal different capsid-binding patterns and functional significance of tegument protein pp150 in murine and human cytomegaloviruses with implications for therapeutic development | | 分子名称: | Major capsid protein, Minor capsid protein, Small capsomere-interacting protein, ... | | 著者 | Liu, W, Dai, X.H, Jih, J, Chan, K, Trang, P, Yu, X.K, Balogun, R, Mei, Y, Liu, F.Y, Zhou, Z.H. | | 登録日 | 2018-12-22 | | 公開日 | 2019-03-06 | | 最終更新日 | 2019-11-27 | | 実験手法 | ELECTRON MICROSCOPY (5 Å) | | 主引用文献 | Atomic structures and deletion mutant reveal different capsid-binding patterns and functional significance of tegument protein pp150 in murine and human cytomegaloviruses with implications for therapeutic development.
PLoS Pathog., 15, 2019
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7SQR
 | | 201phi2-1 Chimallin localized tetramer reconstruction | | 分子名称: | Chimallin | | 著者 | Laughlin, T.G, Deep, A, Prichard, A.M, Seitz, C, Gu, Y, Enustun, E, Suslov, S, Khanna, K, Birkholz, E.A, Amaro, R.E, Pogliano, J, Corbett, K.D, Villa, E. | | 登録日 | 2021-11-06 | | 公開日 | 2022-07-27 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Architecture and self-assembly of the jumbo bacteriophage nuclear shell.
Nature, 608, 2022
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