PDB: 222415 件ウェブページステータス検索Chemie searchBIRD

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7RBQ	Co-crystal structure of human PRMT9 in complex with MT556 inhibitor 分子名称: 1,2-ETHANEDIOL, 7-[5-S-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Protein arginine N-methyltransferase 9, ... 著者 Zeng, H, Dong, A, Hutchinson, A, Seitova, A, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) 登録日 2021-07-06 公開日 2021-08-11 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Co-crystal structure of human PRMT9 in complex with MT556 inhibitor To Be Published
7RN0	Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun9-57-3R 分子名称: (2R)-2-{acetyl[4-(1H-pyrrol-1-yl)phenyl]amino}-N-[(1S)-1-phenylethyl]-2-(pyridin-3-yl)acetamide, 3C-like proteinase, GLYCEROL 著者 Sacco, M, Chen, Y. 登録日 2021-07-28 公開日 2021-08-11 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity. J.Am.Chem.Soc., 143, 2021
4W9X	Crystal Structure of BMP-2-inducible kinase in complex with baricitinib 分子名称: 1,2-ETHANEDIOL, BMP-2-inducible protein kinase, Baricitinib 著者 Sorrell, F.J, Elkins, J.M, Krojer, T, Williams, E, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2014-08-28 公開日 2014-09-10 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.14 Å) 主引用文献 Family-wide Structural Analysis of Human Numb-Associated Protein Kinases. Structure, 24, 2016
7RT0	1.80 A resolution structure of MAO from P. nicotinovorans in complex with FAD 分子名称: 4-methylaminobutanoate oxidase (methylamine-forming), FLAVIN-ADENINE DINUCLEOTIDE, TETRAETHYLENE GLYCOL 著者 Lovell, S, Bowman, A, Battaile, K.P, Deay, D.O. 登録日 2021-08-12 公開日 2021-08-25 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 To be determined To be published
4WAA	Crystal structure of Nix LIR-fused human LC3B_2-119 分子名称: Microtubule-associated proteins 1A/1B light chain 3B 著者 Suzuki, H, Ravichandran, A.C, Dobson, R.C.J, Novak, I, Wakatsuki, S. 登録日 2014-08-29 公開日 2015-09-09 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Phosphorylation of the mitochondrial autophagy receptor Nix enhances its interaction with LC3 proteins. Sci Rep, 7, 2017
4WAG	Phosphatidylinositol 4-kinase III beta crystallized with MI103 inhibitor 分子名称: 6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta 著者 Chalupska, D, Boura, E. 登録日 2014-08-29 公開日 2015-05-20 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (3.407 Å) 主引用文献 Highly Selective Phosphatidylinositol 4-Kinase III beta Inhibitors and Structural Insight into Their Mode of Action. J.Med.Chem., 58, 2015
7LXP	Collagen Mimetic Peptide with an Xaa-position Aza-proline 分子名称: Collagen mimetic peptide 著者 Melton, S.D, Harris, T, Chenoweth, D.M. 登録日 2021-03-04 公開日 2022-03-16 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Collagen Mimetic Peptide with an Xaa-position Aza-proline To Be Published
4WAS	STRUCTURE OF THE ETR1P/NADP/CROTONYL-COA COMPLEX 分子名称: CROTONYL COENZYME A, Enoyl-[acyl-carrier-protein] reductase [NADPH, B-specific] 1, ... 著者 Quade, N, Voegeli, B, Rosenthal, R, Capitani, G, Erb, T.J. 登録日 2014-08-31 公開日 2015-03-18 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 The use of ene adducts to study and engineer enoyl-thioester reductases. Nat.Chem.Biol., 11, 2015
5DJ8	Fc Heterodimer Design 7.7 D399M/Y407A + T366V/K409I 分子名称: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose 著者 Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Secrist, E, Demarest, S.J, Kuhlman, B. 登録日 2015-09-01 公開日 2016-03-30 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure, 24, 2016
4WDZ	JC Polyomavirus VP1 five-fold pore mutant N221W 分子名称: 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein VP1 著者 Stroh, L.J, Stehle, T. 登録日 2014-09-09 公開日 2015-02-18 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Modulation of a Pore in the Capsid of JC Polyomavirus Reduces Infectivity and Prevents Exposure of the Minor Capsid Proteins. J.Virol., 89, 2015
7LZ3	Computational design of constitutively active cGAS 分子名称: Cyclic GMP-AMP synthase, GLYCEROL, ZINC ION 著者 Dowling, Q, Volkman, H.E, Gray, E.E, Ovchinnikov, S, Cambier, S, Bera, A.K, Bick, M, Kang, A, Stetson, D.B, King, N.P. 登録日 2021-03-08 公開日 2022-03-16 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 Computational design of constitutively active cGAS. Nat.Struct.Mol.Biol., 30, 2023
7REE	High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to YM2-059 分子名称: Tyrosine-protein kinase JAK2, [3-(4-{2-[3,5-difluoro-4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)-1-(ethanesulfonyl)azetidin-3-yl]acetonitrile 著者 Karim, M.R, Schonbrunn, E. 登録日 2021-07-12 公開日 2021-09-01 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.38 Å) 主引用文献 High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to YM2-059. To Be Published
5DJC	Fc Heterodimer Design 8.1 L368V/Y407A + T366V/K409F 分子名称: Fc-III peptide, IODIDE ION, Ig gamma-1 chain C region, ... 著者 Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Secrist, E, Demarest, S.J, Kuhlman, B. 登録日 2015-09-01 公開日 2016-03-30 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure, 24, 2016
7LXQ	Collagen Mimetic Peptide with a Yaa-position Aza-proline 分子名称: Collagen mimetic peptide 著者 Melton, S.D, Harris, T, Chenoweth, D.M. 登録日 2021-03-04 公開日 2022-03-16 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Collagen Mimetic Peptide with a Yaa-position Aza-proline To Be Published
7RRY	Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-20 分子名称: (1S,2R,4S,5S,6S)-5,6-bis(4-hydroxyphenyl)-N-{4-[3-(piperidin-1-yl)propoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide, CHLORIDE ION, Estrogen receptor 著者 Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. 登録日 2021-08-10 公開日 2021-09-08 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Dual-mechanism estrogen receptor inhibitors. Proc.Natl.Acad.Sci.USA, 118, 2021
7RN1	Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun9-62-2R 分子名称: 3C-like proteinase, GLYCEROL, N-([1,1'-biphenyl]-4-yl)-2-chloro-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]acetamide, ... 著者 Sacco, M, Chen, Y. 登録日 2021-07-28 公開日 2021-09-08 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity. J.Am.Chem.Soc., 143, 2021
7LO8	NorA in complex with Fab36 分子名称: Fab36 Heavy Chain, Fab36 Light Chain, Quinolone resistance protein NorA 著者 Brawley, D.N, Sauer, D.B, Song, J.M, Koide, A, Koide, S, Traaseth, N.J, Wang, D.N. 登録日 2021-02-09 公開日 2022-04-20 最終更新日 2022-07-13 実験手法 ELECTRON MICROSCOPY (3.16 Å) 主引用文献 Structural basis for inhibition of the drug efflux pump NorA from Staphylococcus aureus. Nat.Chem.Biol., 18, 2022
4W8L	Structure of GH10 from Paenibacillus barcinonensis 分子名称: CALCIUM ION, Endo-1,4-beta-xylanase C, GLYCEROL 著者 Sainz-Polo, M.A, Sanz-Aparicio, J. 登録日 2014-08-25 公開日 2015-06-03 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 Exploring Multimodularity in Plant Cell Wall Deconstruction: STRUCTURAL AND FUNCTIONAL ANALYSIS OF Xyn10C CONTAINING THE CBM22-1-CBM22-2 TANDEM. J.Biol.Chem., 290, 2015
4W8R	Crystal structure of hemolysin A Y134F from P. mirabilis at 1.5 Angstroms resolution 分子名称: Hemolysin 著者 Novak, W.R.P, Glasgow, E, Thompson, J.R, Weaver, T.M. 登録日 2014-08-26 公開日 2015-10-07 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.519 Å) 主引用文献 Crystal structure of hemolysin A Y134F from P. mirabilis at 1.5 Angstroms resolution To Be Published
7LO7	NorA in complex with Fab25 分子名称: Fab25 Heavy Chain, Fab25 Light Chain, Quinolone resistance protein NorA 著者 Brawley, D.N, Sauer, D.B, Song, J.M, Koide, A, Koide, S, Traaseth, N.J, Wang, D.N. 登録日 2021-02-09 公開日 2022-04-20 最終更新日 2022-07-13 実験手法 ELECTRON MICROSCOPY (3.74 Å) 主引用文献 Structural basis for inhibition of the drug efflux pump NorA from Staphylococcus aureus. Nat.Chem.Biol., 18, 2022
4W8X	Crystal Structure of Cmr1 from Pyrococcus furiosus bound to a nucleotide 分子名称: CRISPR system Cmr subunit Cmr1-1, GUANOSINE-3'-MONOPHOSPHATE, PHOSPHATE ION 著者 Benda, C, Ebert, J, Baumgaertner, M, Conti, E. 登録日 2014-08-26 公開日 2014-10-15 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Structural Model of a CRISPR RNA-Silencing Complex Reveals the RNA-Target Cleavage Activity in Cmr4. Mol.Cell, 56, 2014
7RRZ	Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-30 分子名称: (1S,2R,4S,5R,6S)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-{4-[3-(piperidin-1-yl)propoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide, Estrogen receptor 著者 Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. 登録日 2021-08-10 公開日 2021-09-08 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Dual-mechanism estrogen receptor inhibitors. Proc.Natl.Acad.Sci.USA, 118, 2021
7LO1	FAD-dependent monooxygenase AfoD from A. nidulans 分子名称: FAD-dependent monooxygenase afoD, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION 著者 Rodriguez Benitez, A, Smith, J.L, Narayan, A.R.H. 登録日 2021-02-08 公開日 2022-04-27 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Deciphering the evolution of flavin-dependent monooxygenase stereoselectivity using ancestral sequence reconstruction. Proc.Natl.Acad.Sci.USA, 120, 2023
4W91	Crystal structure of a cysteine desulfurase SufS from Brucella suis bound to PLP 分子名称: Aminotransferase, CHLORIDE ION 著者 Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2014-08-26 公開日 2014-10-08 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Crystal structure of a cysteine desulfurase SufS from Brucella suis bound to PLP To Be Published
6KJ1	200kV MicroED structure of FUS (37-42) SYSGYS solved from merged datasets at 0.65 A 分子名称: RNA-binding protein FUS 著者 Zhou, H, Luo, F, Luo, Z, Li, D, Liu, C, Li, X. 登録日 2019-07-20 公開日 2019-10-02 最終更新日 2024-03-27 実験手法 ELECTRON CRYSTALLOGRAPHY (0.65 Å) 主引用文献 Programming Conventional Electron Microscopes for Solving Ultrahigh-Resolution Structures of Small and Macro-Molecules. Anal.Chem., 91, 2019

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