6WBW
 
 | | Structure of Human HDAC2 in complex with an ethyl ketone inhibitor | | 分子名称: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ... | | 著者 | Klein, D.J, Yu, W. | | 登録日 | 2020-03-27 | | 公開日 | 2020-05-06 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Discovery of ethyl ketone-based HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 30, 2020
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8WE0
 | | SARS-CoV-2 Omicron XBB RBD complexed with human ACE2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | 著者 | Li, W, Xie, Y. | | 登録日 | 2023-09-16 | | 公開日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Key mechanistic features of the trade-off between antibody escape and host cell binding in the SARS-CoV-2 Omicron variant spike proteins.
Embo J., 43, 2024
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3DQQ
 | | The crystal structure of the putative tRNA synthase from Salmonella typhimurium LT2 | | 分子名称: | Putative tRNA synthase | | 著者 | Zhang, R, Gu, M, Zhou, M, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2008-07-09 | | 公開日 | 2008-07-22 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | The crystal structure of the putative tRNA synthase from Salmonella typhimurium LT2
To be Published, 2008
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8WDR
 | | Crystal structure of BQ.1.1 RBD complexed with human ACE2 | | 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, Angiotensin-converting enzyme 2, ... | | 著者 | Li, W, Xie, Y. | | 登録日 | 2023-09-16 | | 公開日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (3.47 Å) | | 主引用文献 | Key mechanistic features of the trade-off between antibody escape and host cell binding in the SARS-CoV-2 Omicron variant spike proteins.
Embo J., 43, 2024
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3DSX
 | | Crystal structure of RabGGTase(DELTA LRR; DELTA IG)in complex with di-prenylated peptide Ser-Cys(GG)-Ser-Cys(GG) derivated from Rab7 | | 分子名称: | CALCIUM ION, GERAN-8-YL GERAN, Geranylgeranyl transferase type-2 subunit alpha, ... | | 著者 | Guo, Z, Yu, S, Goody, R.S, Alexandrov, K, Blankenfeldt, W. | | 登録日 | 2008-07-14 | | 公開日 | 2008-09-09 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structures of RabGGTase-substrate/product complexes provide insights into the evolution of protein prenylation
Embo J., 27, 2008
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3DTX
 | | Crystal structure of HLA-B*2705 complexed with the double citrullinated vasoactive intestinal peptide type 1 receptor (VIPR) peptide (residues 400-408) | | 分子名称: | Beta-2-microglobulin, Double citrullinated vasoactive intestinal polypeptide receptor, MHC class I antigen (Fragment) | | 著者 | Beltrami, A, Gabdulkhakov, A, Rossmann, M, Ziegler, A, Uchanska-Ziegler, B, Saenger, W. | | 登録日 | 2008-07-16 | | 公開日 | 2009-05-05 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Citrullination-and mhc polymorphism-dependent conformational changes of a self peptide
To be Published
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1RYQ
 | | Putative DNA-directed RNA polymerase, subunit e'' from Pyrococcus Furiosus Pfu-263306-001 | | 分子名称: | DNA-directed RNA polymerase, subunit e'', ZINC ION | | 著者 | Liu, Z.-J, Chen, L, Tempel, W, Shah, A, Arendall III, W.B, Rose, J.P, Brereton, P.S, Izumi, M, Jenney Jr, F.E, Lee, H.S, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Richardson, D.C, Richardson, J.S, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | 登録日 | 2003-12-22 | | 公開日 | 2004-08-10 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Parameter-space screening: a powerful tool for high-throughput crystal structure determination.
Acta Crystallogr.,Sect.D, 61, 2005
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3DWD
 | | Crystal structure of the ArfGAP domain of human ARFGAP1 | | 分子名称: | ADP-ribosylation factor GTPase-activating protein 1, UNKNOWN ATOM OR ION, ZINC ION | | 著者 | Nedyalkova, L, Tong, Y, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Wilkstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | 登録日 | 2008-07-22 | | 公開日 | 2008-08-05 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal structure of the ArfGAP domain of human ARFGAP1
To be Published
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6XV1
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6XDF
 | | Crystal structure of IRE1a in complex with G-4100 | | 分子名称: | 4-amino-N-(6-chloro-2-fluoro-3-{[(pyrrolidin-1-yl)sulfonyl]amino}phenyl)quinazoline-8-carboxamide, SODIUM ION, Serine/threonine-protein kinase/endoribonuclease IRE1 | | 著者 | Steinbacher, S, Wang, W. | | 登録日 | 2020-06-10 | | 公開日 | 2021-04-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | | 主引用文献 | Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1 alpha Inhibitory Activity.
Acs Med.Chem.Lett., 11, 2020
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6XDD
 | | Crystal structure of IRE1 in complex with G-3053 | | 分子名称: | 4-[(trans-4-aminocyclohexyl)amino]-N-(6-chloro-3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)thieno[3,2-d]pyrimidine-7-carboxamide, Serine/threonine-protein kinase/endoribonuclease IRE1 | | 著者 | Ackerly-Wallweber, H, Wang, W. | | 登録日 | 2020-06-10 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1 alpha Inhibitory Activity.
Acs Med.Chem.Lett., 11, 2020
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6XO2
 | | Structural Characterization of Beta Cyanoalanine Synthase from Tetranychus Urticae (two-spotted spider mite) | | 分子名称: | ACETATE ION, Beta-cyanoalanine synthase, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Daneshian, L, Schlachter, C, Dermauw, W, Wybouw, N, Van Leeuwen, T, Chruszcz, M. | | 登録日 | 2020-07-06 | | 公開日 | 2021-05-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural and functional characterization of beta-cyanoalanine synthase from Tetranychus urticae.
Insect Biochem.Mol.Biol., 142, 2022
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3DJ7
 | | Crystal structure of the mouse Aurora-A catalytic domain (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with Compound 130. | | 分子名称: | 1-(5-{2-[(6-amino-5-bromopyrimidin-4-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea, serine/threonine kinase 6 | | 著者 | Elling, R.A, Yang, W, Erlanson, D.A, Tangonan, B.T, Hansen, S.K, Romanowski, M.J. | | 登録日 | 2008-06-22 | | 公開日 | 2009-05-05 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | New fragment-based drug discovery
To be Published
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3DL9
 | | Crystal structure of CYP2R1 in complex with 1-alpha-hydroxy-vitamin D2 | | 分子名称: | (1S,3R,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraene-1,3-diol, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Cytochrome P450 2R1, ... | | 著者 | Strushkevich, N.V, Tempel, W, Gilep, A.A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Wilkstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | 登録日 | 2008-06-26 | | 公開日 | 2008-08-05 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.721 Å) | | 主引用文献 | Crystal structure of CYP2R1 in complex with 1-alpha-hydroxy-vitamin D2.
To be Published
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3JUO
 | | Crystal Structure of PhzA/B from Burkholderia cepacia R18194 in complex with (R)-5-bromo-2-(piperidin-3-ylamino)benzoic acid | | 分子名称: | 5-bromo-2-[(3R)-piperidin-3-ylamino]benzoic acid, Phenazine biosynthesis protein A/B | | 著者 | Mentel, M, Jain, I.H, Breinbauer, R, Blankenfeldt, W. | | 登録日 | 2009-09-15 | | 公開日 | 2009-09-29 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The Active Site of an Enzyme Can Host Both Enantiomers of a Racemic Ligand Simultaneously
Angew.Chem.Int.Ed.Engl., 48, 2009
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3DH8
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6RZV
 | | Structure of s-Mgm1 decorating the inner surface of tubulated lipid membranes | | 分子名称: | Putative mitochondrial dynamin protein | | 著者 | Faelber, K, Dietrich, L, Noel, J.K, Sanchez, R, Kudryashev, M, Kuelbrandt, W, Daumke, O. | | 登録日 | 2019-06-13 | | 公開日 | 2019-07-24 | | 最終更新日 | 2020-11-18 | | 実験手法 | ELECTRON MICROSCOPY (20.6 Å) | | 主引用文献 | Structure and assembly of the mitochondrial membrane remodelling GTPase Mgm1.
Nature, 571, 2019
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6XN8
 | | Crystal Structure of 2-hydroxyacyl CoA lyase (HACL) from Rhodospirillales bacterium URHD0017 | | 分子名称: | 2-hydroxyacyl-CoA lyase 1, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ... | | 著者 | Miller, M.D, Xu, W, Olmos Jr, J.L, Chou, A, Clomburg, J.M, Gonzalez, R, Philips Jr, G.N. | | 登録日 | 2020-07-02 | | 公開日 | 2021-07-07 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Crystal Structure of 2-hydroxyacyl CoA lyase (HACL) from Rhodospirillales bacterium URHD0017
To Be Published
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6XOW
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3DSW
 | | Crystal structure of RabGGTase(DELTA LRR; DELTA IG)in complex with mono-prenylated peptide Ser-Cys(GG)-Ser-Cys derivated from Rab7 | | 分子名称: | CALCIUM ION, GERAN-8-YL GERAN, Geranylgeranyl transferase type-2 subunit alpha, ... | | 著者 | Guo, Z, Yu, S, Goody, R.S, Alexandrov, K, Blankenfeldt, W. | | 登録日 | 2008-07-14 | | 公開日 | 2008-09-09 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structures of RabGGTase-substrate/product complexes provide insights into the evolution of protein prenylation
Embo J., 27, 2008
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3DJ6
 | | Crystal structure of the mouse Aurora-A catalytic domain (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with Compound 823. | | 分子名称: | 4-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide, serine/threonine kinase 6 | | 著者 | Elling, R.A, Erlanson, D.A, Yang, W, Tangonan, B.T, Hansen, S.K, Romanowski, M.J. | | 登録日 | 2008-06-22 | | 公開日 | 2009-05-05 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | New fragment-based drug discovery
To be Published
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3K26
 | | Complex structure of EED and trimethylated H3K4 | | 分子名称: | HISTONE PEPTIDE, Polycomb protein EED | | 著者 | Bian, C.B, Xu, C, Qiu, W, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2009-09-29 | | 公開日 | 2009-12-15 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Binding of different histone marks differentially regulates the activity and specificity of polycomb repressive complex 2 (PRC2).
Proc.Natl.Acad.Sci.USA, 107, 2010
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3DJ5
 | | Crystal structure of the mouse Aurora-A catalytic domain (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with Compound 290. | | 分子名称: | 3-({3-[(6-amino-5-bromopyrimidin-4-yl)sulfanyl]propanoyl}amino)-4-methoxy-N-phenylbenzamide, serine/threonine kinase 6 | | 著者 | Elling, R.A, Erlanson, D.A, Yang, W, Tangonan, B.T, Hansen, S.K, Romanowski, M.J. | | 登録日 | 2008-06-22 | | 公開日 | 2009-05-05 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | New fragment-based drug discovery
To be Published
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6WQA
 | | 2.0A angstrom A2a adenosine receptor structure using XFEL data collected in helium atmosphere. | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | | 著者 | Lee, M.-Y, Geiger, J, Ishchenko, A, Han, G.W, Barty, A, White, T.A, Gati, C, Batyuk, A, Hunter, M.S, Aquila, A, Boutet, S, Weierstall, U, Cherezov, V, Liu, W. | | 登録日 | 2020-04-28 | | 公開日 | 2020-11-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Harnessing the power of an X-ray laser for serial crystallography of membrane proteins crystallized in lipidic cubic phase
Iucrj, 7, 2020
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3DST
 | | Crystal structure of RabGGTase(DELTA LRR; DELTA IG)in complex with geranylgeranyl pyrophosphate | | 分子名称: | CALCIUM ION, GERANYLGERANYL DIPHOSPHATE, Geranylgeranyl transferase type-2 subunit alpha, ... | | 著者 | Guo, Z, Yu, S, Goody, R.S, Alexandrov, K, Blankenfeldt, W. | | 登録日 | 2008-07-14 | | 公開日 | 2008-09-09 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structures of RabGGTase-substrate/product complexes provide insights into the evolution of protein prenylation
Embo J., 27, 2008
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