7YIM
 
 | | Cryo-EM structure of human Alpha-fetoprotein | | 分子名称: | Alpha-fetoprotein | | 著者 | Liu, N, Liu, K, Wu, C, Liu, Z, Li, M, Wang, J, Wang, H.W. | | 登録日 | 2022-07-17 | | 公開日 | 2023-01-18 | | 最終更新日 | 2023-01-25 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | Uniform thin ice on ultraflat graphene for high-resolution cryo-EM.
Nat.Methods, 20, 2023
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6FCK
 | | CHK1 KINASE IN COMPLEX WITH COMPOUND 13 | | 分子名称: | 2-phenyl-4-[[(3~{S})-piperidin-3-yl]amino]-1~{H}-indole-7-carboxamide, SULFATE ION, Serine/threonine-protein kinase Chk1 | | 著者 | Read, J.A, Breed, J. | | 登録日 | 2017-12-20 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Adventures in Scaffold Morphing: Discovery of Fused Ring Heterocyclic Checkpoint Kinase 1 (CHK1) Inhibitors.
J. Med. Chem., 61, 2018
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7AK5
 | | Cryo-EM structure of respiratory complex I in the deactive state from Mus musculus at 3.2 A | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ADENOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Yin, Z, Bridges, H.R, Grba, D, Hirst, J. | | 登録日 | 2020-09-29 | | 公開日 | 2021-02-03 | | 最終更新日 | 2021-02-10 | | 実験手法 | ELECTRON MICROSCOPY (3.17 Å) | | 主引用文献 | Structural basis for a complex I mutation that blocks pathological ROS production.
Nat Commun, 12, 2021
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6GBF
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7AQT
 | | NMR2 structure of BRD4-BD2 in complex with iBET-762 | | 分子名称: | 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide, Bromodomain-containing protein 4 | | 著者 | Orts, J, Torres, F, Milbradt, A.G, Walser, R. | | 登録日 | 2020-10-23 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-06-19 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR Molecular Replacement Provides New Insights into Binding Modes to Bromodomains of BRD4 and TRIM24.
J.Med.Chem., 65, 2022
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1NSG
 | | THE STRUCTURE OF THE IMMUNOPHILIN-IMMUNOSUPPRESSANT FKBP12-RAPAMYCIN COMPLEX INTERACTING WITH HUMAN FRAP | | 分子名称: | C49-METHYL RAPAMYCIN, FK506-BINDING PROTEIN, FKBP-RAPAMYCIN ASSOCIATED PROTEIN (FRAP) | | 著者 | Liang, J, Choi, J, Clardy, J. | | 登録日 | 1997-07-01 | | 公開日 | 1998-03-18 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Refined structure of the FKBP12-rapamycin-FRB ternary complex at 2.2 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
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7APX
 | | yeast THO-Sub2 complex | | 分子名称: | ATP-dependent RNA helicase SUB2, Protein TEX1, THO complex subunit 2,Tho2, ... | | 著者 | Schuller, S.K, Schuller, J.M, Prabu, R.J, Baumgartner, M, Bonneau, F, basquin, J, Conti, E. | | 登録日 | 2020-10-20 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Structural insights into the nucleic acid remodeling mechanisms of the yeast THO-Sub2 complex.
Elife, 9, 2020
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4C4I
 | | Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 | | 分子名称: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, tert-butyl 6-{[2-chloro-4-(dimethylcarbamoyl)phenyl]amino}-2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate | | 著者 | Naud, S, Westwood, I.M, Faisal, A, Sheldrake, P, Bavetsias, V, Atrash, B, Liu, M, Hayes, A, Schmitt, J, Wood, A, Choi, V, Boxall, K, Mak, G, Gurden, M, Valenti, M, de Haven Brandon, A, Henley, A, Baker, R, McAndrew, C, Matijssen, B, Burke, R, Eccles, S.A, Raynaud, F.I, Linardopoulos, S, van Montfort, R, Blagg, J. | | 登録日 | 2013-09-05 | | 公開日 | 2013-12-04 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1).
J.Med.Chem., 56, 2013
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1UVY
 | | HEME-LIGAND TUNNELING IN GROUP I TRUNCATED HEMOGLOBINS | | 分子名称: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, XENON | | 著者 | Milani, M, Pesce, A, Ouellet, Y, Dewilde, S, Friedman, J, Ascenzi, P, Guertin, M, Bolognesi, M. | | 登録日 | 2004-01-27 | | 公開日 | 2004-03-18 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Heme-Ligand Tunneling in Group I Truncated Hemoglobins
J.Biol.Chem., 279, 2004
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3LKR
 | | Crystal Structure of HLA B*3501 in complex with influenza NP418 epitope from 2009 H1N1 swine origin strain | | 分子名称: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ... | | 著者 | Gras, S, Kedzierski, L, Valkenburg, S.A, Liu, Y.C, Denholm, J, Richards, M, Rimmelzwaan, G.F, Doherty, P.C, Turner, S.J, Rossjohn, J, Kedzierska, K. | | 登録日 | 2010-01-27 | | 公開日 | 2010-07-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Cross-reactive CD8+ T-cell immunity between the pandemic H1N1-2009 and H1N1-1918 influenza A viruses.
Proc.Natl.Acad.Sci.USA, 107, 2010
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6UOT
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4CBL
 | | Pestivirus NS3 helicase | | 分子名称: | SERINE PROTEASE NS3 | | 著者 | Tortorici, M.A, Duquerroy, S, Kwok, J, Vonrhein, C, Perez, J, Lamp, B, Bricogne, G, Rumenapf, T, Vachette, P, Rey, F.A. | | 登録日 | 2013-10-14 | | 公開日 | 2015-01-21 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | X-Ray Structure of the Pestivirus Ns3 Helicase and its Conformation in Solution.
J.Virol., 89, 2015
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6S7D
 | | Self-complementary duplex DNA containing an internucleoside phosphoroselenolate | | 分子名称: | BARIUM ION, CHLORIDE ION, DNA (5'-D(*GP*(XCI)P*CP*CP*CP*GP*GP*GP*AP*C)-3'), ... | | 著者 | Conlon, P.F, Steinhogl, J, Vyle, J.S, Hall, J.P. | | 登録日 | 2019-07-04 | | 公開日 | 2019-11-06 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Solid-phase synthesis and structural characterisation of phosphoroselenolate-modified DNA: a backbone analogue which does not impose conformational bias and facilitates SAD X-ray crystallography.
Chem Sci, 10, 2019
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2AOC
 | | Crystal structure analysis of HIV-1 protease mutant I84V with a substrate analog P2-NC | | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T. | | 登録日 | 2005-08-12 | | 公開日 | 2006-01-17 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs.
Febs J., 272, 2005
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7Y72
 | | SARS-CoV-2 spike glycoprotein trimer complexed with Fab fragment of anti-RBD antibody E7 (focused refinement on Fab-RBD interface) | | 分子名称: | Fab E7 heavy chain, Fab E7 light chain, Spike glycoprotein | | 著者 | Chia, W.N, Tan, C.W, Tan, A.W.K, Young, B, Starr, T.N, Lopez, E, Fibriansah, G, Barr, J, Cheng, S, Yeoh, A.Y.Y, Yap, W.C, Lim, B.L, Ng, T.S, Sia, W.R, Zhu, F, Chen, S, Zhang, J, Greaney, A.J, Chen, M, Au, G.G, Paradkar, P, Peiris, M, Chung, A.W, Bloom, J.D, Lye, D, Lok, S.M, Wang, L.F. | | 登録日 | 2022-06-21 | | 公開日 | 2023-08-02 | | 最終更新日 | 2023-08-09 | | 実験手法 | ELECTRON MICROSCOPY (4.03 Å) | | 主引用文献 | Potent pan huACE2-dependent sarbecovirus neutralizing monoclonal antibodies isolated from a BNT162b2-vaccinated SARS survivor.
Sci Adv, 9, 2023
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4C4J
 | | Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 | | 分子名称: | DUAL SPECIFICITY PROTEIN KINASE TTK, tert-butyl 6-{[2-chloro-4-(1-methyl-1H-imidazol-5-yl)phenyl]amino}-2-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate | | 著者 | Naud, S, Westwood, I.M, Faisal, A, Sheldrake, P, Bavetsias, V, Atrash, B, Liu, M, Hayes, A, Schmitt, J, Wood, A, Choi, V, Boxall, K, Mak, G, Gurden, M, Valenti, M, de Haven Brandon, A, Henley, A, Baker, R, McAndrew, C, Matijssen, B, Burke, R, Eccles, S.A, Raynaud, F.I, Linardopoulos, S, van Montfort, R, Blagg, J. | | 登録日 | 2013-09-05 | | 公開日 | 2013-12-04 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1).
J.Med.Chem., 56, 2013
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3LKQ
 | | Crystal Structure of HLA B*3501 in complex with influenza NP418 epitope from 1977 strain | | 分子名称: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ... | | 著者 | Gras, S, Kedzierski, L, Valkenburg, S.A, Liu, Y.C, Denholm, J, Richards, M, Rimmelzwaan, G.F, Doherty, P.C, Turner, S.J, Rossjohn, J, Kedzierska, K. | | 登録日 | 2010-01-27 | | 公開日 | 2010-07-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Cross-reactive CD8+ T-cell immunity between the pandemic H1N1-2009 and H1N1-1918 influenza A viruses.
Proc.Natl.Acad.Sci.USA, 107, 2010
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4CBI
 | | Pestivirus NS3 helicase | | 分子名称: | SERINE PROTEASE NS3 | | 著者 | Tortorici, M.A, Duquerroy, S, Kwok, J, Vonrhein, C, Perez, J, Lamp, B, Bricogne, G, Rumenapf, T, Vachette, P, Rey, F.A. | | 登録日 | 2013-10-14 | | 公開日 | 2015-01-21 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | X-Ray Structure of the Pestivirus Ns3 Helicase and its Conformation in Solution.
J.Virol., 89, 2015
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4NXG
 | | Crystal structure of iLOV-I486z(2LT) at pH 9.0 | | 分子名称: | FLAVIN MONONUCLEOTIDE, Phototropin-2 | | 著者 | Wang, J, Liu, X, Li, J. | | 登録日 | 2013-12-09 | | 公開日 | 2014-09-24 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Significant expansion of fluorescent protein sensing ability through the genetic incorporation of superior photo-induced electron-transfer quenchers.
J.Am.Chem.Soc., 136, 2014
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2GP4
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7Y71
 | | SARS-CoV-2 spike glycoprotein trimer complexed with Fab fragment of anti-RBD antibody E7 | | 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, Fab E7 heavy chain, ... | | 著者 | Chia, W.N, Tan, C.W, Tan, A.W.K, Young, B, Starr, T.N, Lopez, E, Fibriansah, G, Barr, J, Cheng, S, Yeoh, A.Y.Y, Yap, W.C, Lim, B.L, Ng, T.S, Sia, W.R, Zhu, F, Chen, S, Zhang, J, Greaney, A.J, Chen, M, Au, G.G, Paradkar, P, Peiris, M, Chung, A.W, Bloom, J.D, Lye, D, Lok, S.M, Wang, L.F. | | 登録日 | 2022-06-21 | | 公開日 | 2023-08-02 | | 最終更新日 | 2023-08-09 | | 実験手法 | ELECTRON MICROSCOPY (3.12 Å) | | 主引用文献 | Potent pan huACE2-dependent sarbecovirus neutralizing monoclonal antibodies isolated from a BNT162b2-vaccinated SARS survivor.
Sci Adv, 9, 2023
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4NP9
 | | Structure of Rabphilin C2A domain bound to IP3 | | 分子名称: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Rabphilin-3A, SULFATE ION | | 著者 | Guillen, J, Ferrer-Orta, C, Buxaderas, M, Perez-Sanchez, D, Guerrero-Valero, M, Luengo-Gil, G, Pous, J, Guerra, P, Gomez-Fernandez, J.C, Verdaguer, N, Corbalan-Garcia, S. | | 登録日 | 2013-11-21 | | 公開日 | 2013-12-25 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Structural insights into the Ca2+ and PI(4,5)P2 binding modes of the C2 domains of rabphilin 3A and synaptotagmin 1.
Proc.Natl.Acad.Sci.USA, 110, 2013
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6CTY
 | | Crystal structure of dihydroorotase pyrC from Yersinia pestis in complex with zinc and malate at 2.4 A resolution | | 分子名称: | D-MALATE, Dihydroorotase, ZINC ION | | 著者 | Lipowska, J, Shabalin, I.G, Winsor, J, Woinska, M, Cooper, D.R, Kwon, K, Shuvalova, L, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2018-03-23 | | 公開日 | 2018-04-04 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Pyrimidine biosynthesis in pathogens - Structures and analysis of dihydroorotases from Yersinia pestis and Vibrio cholerae.
Int.J.Biol.Macromol., 136, 2019
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5TVC
 | | Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica (Ac-AChBP) containing loop C from the human alpha 3 nicotinic acetylcholine receptor in complex with (E,2S)-N-methyl-5-(5-phenoxy-3-pyridyl)pent-4-en-2-amine (TI-5312) | | 分子名称: | (E,2S)-N-methyl-5-(5-phenoxy-3-pyridyl)pent-4-en-2-amine, PENTAETHYLENE GLYCOL, SULFATE ION, ... | | 著者 | Bobango, J, Wu, J, Talley, I.T, Talley, T.T. | | 登録日 | 2016-11-08 | | 公開日 | 2016-11-30 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.926 Å) | | 主引用文献 | Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica (Ac-AChBP) containing loop C from the human alpha 3 nicotinic acetylcholine receptor in complex with (E,2S)-N-methyl-5-(5-phenoxy-3-pyridyl)pent-4-en-2-amine (TI-5312)
To Be Published
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7VLQ
 | | Crystal structure of SARS-Cov-2 main protease in complex with PF07321332 in spacegroup P212121 | | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | 著者 | Zhou, X.L, Zhong, F.L, Lin, C, Zhang, J, Li, J. | | 登録日 | 2021-10-05 | | 公開日 | 2022-04-06 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.939106 Å) | | 主引用文献 | Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
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