8KHU
 
 | | Hepatitis B virus core protein Y132A mutant in complex with THPP derivatives 48 | | 分子名称: | (6~{S},7~{R})-6,7-dimethyl-3-(2-oxidanylidenepyrrolidin-1-yl)-~{N}-[3,4,5-tris(fluoranyl)phenyl]-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-5-carboxamide, Capsid protein, GLYCEROL, ... | | 著者 | Zhou, Z, Xu, Z.H. | | 登録日 | 2023-08-22 | | 公開日 | 2023-10-25 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of 4,5,6,7-Tetrahydropyrazolo[1.5-a]pyrizine Derivatives as Core Protein Allosteric Modulators (CpAMs) for the Inhibition of Hepatitis B Virus.
J.Med.Chem., 66, 2023
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8JU9
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8HTV
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3a | | 分子名称: | 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-sulfanyl-ethanone, 3C-like proteinase | | 著者 | Su, H.X, Nie, T.Q, Li, M.J, Xu, Y.C. | | 登録日 | 2022-12-21 | | 公開日 | 2023-08-30 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Discovery and Mechanism Study of SARS-CoV-2 3C-like Protease Inhibitors with a New Reactive Group.
J.Med.Chem., 66, 2023
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3MJG
 | | The structure of a platelet derived growth factor receptor complex | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-type platelet-derived growth factor receptor, ... | | 著者 | Shim, A.H.R, He, X. | | 登録日 | 2010-04-12 | | 公開日 | 2010-06-16 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structures of a platelet-derived growth factor/propeptide complex and a platelet-derived growth factor/receptor complex.
Proc.Natl.Acad.Sci.USA, 107, 2010
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5XOB
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5ZZ8
 | | Structure of the Herpes simplex virus type 2 C-capsid with capsid-vertex-specific component | | 分子名称: | Major capsid protein, UL17, UL25, ... | | 著者 | Wang, J.L, Yuan, S, Zhu, D.J, Tang, H, Wang, N, Chen, W.Y, Gao, Q, Li, Y.H, Wang, J.Z, Liu, H.R, Zhang, X.Z, Rao, Z.H, Wang, X.X. | | 登録日 | 2018-05-31 | | 公開日 | 2018-10-10 | | 最終更新日 | 2019-11-06 | | 実験手法 | ELECTRON MICROSCOPY (3.75 Å) | | 主引用文献 | Structure of the herpes simplex virus type 2 C-capsid with capsid-vertex-specific component.
Nat Commun, 9, 2018
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3PS0
 | | The structure of the CRISPR-associated protein, csa2, from Sulfolobus solfataricus | | 分子名称: | CRISPR-Associated protein, CSA2 | | 著者 | Lintner, N.G, Sdano, M, Young, M.J, Lawrence, C.M. | | 登録日 | 2010-11-30 | | 公開日 | 2011-04-20 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural and functional characterization of an archaeal clustered regularly interspaced short palindromic repeat (CRISPR)-associated complex for antiviral defense (CASCADE).
J.Biol.Chem., 286, 2011
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3PV1
 | | Crystal structure of the USP15 DUSP-UBL domains | | 分子名称: | ACETATE ION, Ubiquitin carboxyl-terminal hydrolase 15 | | 著者 | Elliott, P.R, Urbe, S, Clague, M.J, Barsukov, I.L. | | 登録日 | 2010-12-06 | | 公開日 | 2011-11-16 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural variability of the ubiquitin specific protease DUSP-UBL double domains.
Febs Lett., 585, 2011
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5J7A
 | | Bacteriorhodopsin ground state structure obtained with Serial Femtosecond Crystallography | | 分子名称: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL | | 著者 | Nogly, P, Panneels, V, Nelson, G, Gati, C, Kimura, T, Milne, C, Milathianaki, D, Kubo, M, Wu, W, Conrad, C, Coe, J, Bean, R, Zhao, Y, Bath, P, Dods, R, Harimoorthy, R, Beyerlein, K.R, Rheinberger, J, James, D, DePonte, D, Li, C, Sala, L, Williams, G, Hunter, M, Koglin, J.E, Berntsen, P, Nango, E, Iwata, S, Chapman, H.N, Fromme, P, Frank, M, Abela, R, Boutet, S, Barty, A, White, T.A, Weierstall, U, Spence, J, Neutze, R, Schertler, G, Standfuss, J. | | 登録日 | 2016-04-06 | | 公開日 | 2016-08-31 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Lipidic cubic phase injector is a viable crystal delivery system for time-resolved serial crystallography.
Nat Commun, 7, 2016
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7KS6
 | | STRUCTURE OF TETRASACCHARIDE BUILDING BLOCK OF A SULFATED FUCAN FROM LYTECHINUS VARIEGATUS | | 分子名称: | 4-O-sulfo-alpha-L-fucopyranose-(1-3)-2,4-di-O-sulfo-alpha-L-fucopyranose-(1-3)-2-O-sulfo-alpha-L-fucopyranose-(1-3)-2-O-sulfo-alpha-L-fucopyranose | | 著者 | Kim, S.B, Thara, R, Aderibigbe, A.O, Doerksen, R.J, Pomin, V.H. | | 登録日 | 2020-11-21 | | 公開日 | 2020-12-16 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Conformational properties of l-fucose and the tetrasaccharide building block of the sulfated l-fucan from Lytechinus variegatus.
J.Struct.Biol., 209, 2020
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3ZC4
 | | The structure of Csa5 from Sulfolobus solfataricus. | | 分子名称: | DI(HYDROXYETHYL)ETHER, SSO1398 | | 著者 | Reeks, J, Anderson, L, White, M.F, Naismith, J.H. | | 登録日 | 2012-11-15 | | 公開日 | 2013-02-20 | | 最終更新日 | 2013-07-31 | | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | | 主引用文献 | Structure of the Archaeal Cascade Subunit Csa5: Relating the Small Subunits of Crispr Effector Complexes.
RNA Biol., 10, 2013
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4AI4
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4AI5
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5DH3
 | | Crystal structure of MST2 in complex with XMU-MP-1 | | 分子名称: | 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, CHLORIDE ION, SULFATE ION, ... | | 著者 | Kong, L.L, Yun, C.H. | | 登録日 | 2015-08-29 | | 公開日 | 2016-08-31 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.468 Å) | | 主引用文献 | Pharmacological targeting of kinases MST1 and MST2 augments tissue repair and regeneration
Sci Transl Med, 8, 2016
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7LJE
 | | Discovery of Spirohydantoins as Selective, Orally Bioavailable Inhibitors of p300/CBP Histone Acetyltransferases | | 分子名称: | 2-[4-[(3'R,4S)-3'-fluoro-1-[2-[(4-fluorophenyl)methyl-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]amino]-2-oxo-ethyl]-2,5-dioxo-spiro[imidazolidine-4,1'-indane]-5'-yl]pyrazol-1-yl]-N-methyl-acetamide, Histone acetyltransferase p300 | | 著者 | Jakob, C.G. | | 登録日 | 2021-01-29 | | 公開日 | 2021-03-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.607 Å) | | 主引用文献 | Discovery of spirohydantoins as selective, orally bioavailable inhibitors of p300/CBP histone acetyltransferases.
Bioorg.Med.Chem.Lett., 39, 2021
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4AIA
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4B7X
 | | Crystal structure of hypothetical protein PA1648 from Pseudomonas aeruginosa. | | 分子名称: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROBABLE OXIDOREDUCTASE | | 著者 | Alphey, M.S, McMahon, S.A, Duthie, F, Naismith, J.H. | | 登録日 | 2012-08-24 | | 公開日 | 2013-01-09 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery
Acta Crystallogr.,Sect.F, 69, 2013
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4B7C
 | | Crystal structure of hypothetical protein PA1648 from Pseudomonas aeruginosa. | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PROBABLE OXIDOREDUCTASE | | 著者 | Alphey, M.S, McMahon, S.A, Duthie, F.G, Naismith, J.H. | | 登録日 | 2012-08-17 | | 公開日 | 2013-01-09 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery
Acta Crystallogr.,Sect.F, 69, 2013
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4B9E
 | | Structure of a putative epoxide hydrolase from Pseudomonas aeruginosa, with bound MFA. | | 分子名称: | GLYCEROL, PROBABLE EPOXIDE HYDROLASE, SULFATE ION, ... | | 著者 | Schmidberger, J.W, Schnell, R, Schneider, G. | | 登録日 | 2012-09-04 | | 公開日 | 2013-02-06 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery.
Acta Crystallogr.,Sect.F, 69, 2013
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4B9A
 | | Structure of a putative epoxide hydrolase from Pseudomonas aeruginosa. | | 分子名称: | GLYCEROL, PROBABLE EPOXIDE HYDROLASE, SULFATE ION | | 著者 | Schmidberger, J.W, Schnell, R, Schneider, G. | | 登録日 | 2012-09-03 | | 公開日 | 2013-02-06 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery.
Acta Crystallogr.,Sect.F, 69, 2013
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7ETT
 | | The FK1 domain of FKBP51 in complex with peptide-inhibitor hit QFPFV | | 分子名称: | Peptidyl-prolyl cis-trans isomerase FKBP5, peptide-inhibitor hit | | 著者 | Han, J.T, Zhu, Y.C, Pan, D.B, Xue, H.X, Wang, S, Liu, H.X, He, Y.X, Yao, X.J. | | 登録日 | 2021-05-14 | | 公開日 | 2022-02-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Discovery of pentapeptide-inhibitor hits targeting FKBP51 by combining computational modeling and X-ray crystallography.
Comput Struct Biotechnol J, 19, 2021
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7ETV
 | | The FK1 domain of FKBP51 in complex with peptide-inhibitor hit DFPFV | | 分子名称: | Peptidyl-prolyl cis-trans isomerase FKBP5, peptide-inhibitor hit | | 著者 | Han, J.T, Zhu, Y.C, Pan, D.B, Xue, H.X, Wang, S, Liu, H.X, He, Y.X, Yao, X.J. | | 登録日 | 2021-05-14 | | 公開日 | 2022-02-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Discovery of pentapeptide-inhibitor hits targeting FKBP51 by combining computational modeling and X-ray crystallography.
Comput Struct Biotechnol J, 19, 2021
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7ETU
 | | The FK1 domain of FKBP51 in complex with peptide-inhibitor hit SFPFT | | 分子名称: | Peptidyl-prolyl cis-trans isomerase FKBP5, peptide-inhibitor hit | | 著者 | Han, J.T, Zhu, Y.C, Pan, D.B, Xue, H.X, Wang, S, Liu, H.X, He, Y.X, Yao, X.J. | | 登録日 | 2021-05-14 | | 公開日 | 2022-02-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Discovery of pentapeptide-inhibitor hits targeting FKBP51 by combining computational modeling and X-ray crystallography.
Comput Struct Biotechnol J, 19, 2021
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7F7H
 | | SARS-CoV-2 S protein RBD in complex with A8-1 Fab | | 分子名称: | Heavy chain of A8-1 Fab, Light chain of A8-1 Fab, Spike glycoprotein S1 | | 著者 | Dou, Y, Wang, X, Wang, K, Liu, P, Lu, B. | | 登録日 | 2021-06-29 | | 公開日 | 2022-06-15 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.19 Å) | | 主引用文献 | High throughput isolation of potent neutralizing antibodies from convalescent COVID-19 patients.
To Be Published
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7F70
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