6IMJ
 
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7DCN
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7DCM
 | | Crystal structure of CITX | | 分子名称: | Probable apo-citrate lyase phosphoribosyl-dephospho-CoA transferase, ZINC ION | | 著者 | Xu, H, Wang, B, Su, X.D. | | 登録日 | 2020-10-26 | | 公開日 | 2021-11-03 | | 最終更新日 | 2023-05-17 | | 実験手法 | X-RAY DIFFRACTION (2.495 Å) | | 主引用文献 | Co-evolution-based prediction of metal-binding sites in proteomes by machine learning.
Nat.Chem.Biol., 19, 2023
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2PKG
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7KHF
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7KFK
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7V61
 | | ACE2 -Targeting Monoclonal Antibody as Potent and Broad-Spectrum Coronavirus Blocker | | 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, 3E8, ... | | 著者 | Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q. | | 登録日 | 2021-08-18 | | 公開日 | 2022-06-22 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | ACE2-targeting monoclonal antibody as potent and broad-spectrum coronavirus blocker.
Signal Transduct Target Ther, 6, 2021
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8HGW
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8HGV
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6LLN
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8TUC
 | | Unphosphorylated CaMKK2 in complex with CC-8977 | | 分子名称: | (4M)-2-cyclopentyl-4-(7-ethoxyquinazolin-4-yl)benzoic acid, 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase kinase 2, ... | | 著者 | Bernard, S.M, Shanmugasundaram, V, D'Agostino, L. | | 登録日 | 2023-08-16 | | 公開日 | 2023-12-13 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Identification of Small Molecule Inhibitors and Ligand Directed Degraders of Calcium/Calmodulin Dependent Protein Kinase Kinase 1 and 2 (CaMKK1/2).
J.Med.Chem., 66, 2023
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8ZC6
 | | SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with D1F6 Fab, head-to-head aggregate | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, ... | | 著者 | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-29 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (6.85 Å) | | 主引用文献 | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
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8ZC1
 | | SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with D1F6 Fab, focused refinement of RBD region | | 分子名称: | Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, Spike protein S1 | | 著者 | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (4.17 Å) | | 主引用文献 | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
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4WD5
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5D8Z
 | | Structrue of a lucidum protein | | 分子名称: | beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, endoglucanase | | 著者 | Guo, R, Li, Q, Shang, N, Liu, G, Ko, T.P, Chen, C.C, Liu, W. | | 登録日 | 2015-08-18 | | 公開日 | 2016-06-29 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Functional and structural analyses of a 1,4-beta-endoglucanase from Ganoderma lucidum.
Enzyme.Microb.Technol., 86, 2016
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8XZ7
 | | FGFR1 kinase domain with a covalent inhibitor 10h | | 分子名称: | 5-azanyl-3-[2-[4,6-bis(fluoranyl)-2-methyl-3~{H}-benzimidazol-5-yl]ethynyl]-1-[[3-(prop-2-enoylamino)phenyl]methyl]pyrazole-4-carboxamide, Fibroblast growth factor receptor 1, SULFATE ION | | 著者 | Chen, X.J, Chen, Y.H. | | 登録日 | 2024-01-20 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Design, synthesis and biological evaluation of 5-amino-1H-pyrazole-4-carboxamide derivatives as pan-FGFR covalent inhibitors.
Eur.J.Med.Chem., 275, 2024
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8Y22
 | | FGFR1 kinase domain with a covalent inhibitor 9g | | 分子名称: | Fibroblast growth factor receptor 1, SULFATE ION, ~{N}-[4-[[4-azanyl-3-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]propanamide | | 著者 | Chen, X.J, Chen, Y.H. | | 登録日 | 2024-01-25 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.792 Å) | | 主引用文献 | Design, synthesis and biological evaluation of 5-amino-1H-pyrazole-4-carboxamide derivatives as pan-FGFR covalent inhibitors.
Eur.J.Med.Chem., 275, 2024
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6YYE
 | | TREM2 extracellular domain (19-131) in complex with single-chain variable fragment (scFv-2) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, TREM2 Single chain variable 2, Triggering receptor expressed on myeloid cells 2 | | 著者 | Szykowska, A, Preger, C, Krojer, T, Mukhopadhyay, S.M.M, McKinley, G, Graslund, S, Wigren, E, Persson, H, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Di Daniel, E, Burgess-Brown, N, Bullock, A. | | 登録日 | 2020-05-04 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.36 Å) | | 主引用文献 | Selection and structural characterization of anti-TREM2 scFvs that reduce levels of shed ectodomain.
Structure, 29, 2021
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6LGW
 | | Structure of Rabies virus glycoprotein in complex with neutralizing antibody 523-11 at acidic pH | | 分子名称: | Glycoprotein, scFv 523-11 | | 著者 | Yang, F.L, Lin, S, Ye, F, Yang, J, Qi, J.X, Chen, Z.J, Lin, X, Wang, J.C, Yue, D, Cheng, Y.W, Chen, Z.M, Chen, H, You, Y, Zhang, Z.L, Yang, Y, Yang, M, Sun, H.L, Li, Y.H, Cao, Y, Yang, S.Y, Wei, Y.Q, Gao, G.F, Lu, G.W. | | 登録日 | 2019-12-06 | | 公開日 | 2020-02-19 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.9037 Å) | | 主引用文献 | Structural Analysis of Rabies Virus Glycoprotein Reveals pH-Dependent Conformational Changes and Interactions with a Neutralizing Antibody.
Cell Host Microbe, 27, 2020
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4W8D
 | | Crystal structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06454589). | | 分子名称: | 5-(1-methyl-1H-pyrazol-4-yl)-4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine, Serine/threonine-protein kinase 24 36 kDa subunit | | 著者 | Jasti, J, Song, X, Griffor, M, Kurumbail, R.G. | | 登録日 | 2014-08-24 | | 公開日 | 2015-03-18 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor.
J.Med.Chem., 58, 2015
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4W8E
 | | Structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06645342) | | 分子名称: | 3-{4-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Serine/threonine-protein kinase 24 36 kDa subunit | | 著者 | Jasti, J, Song, X, Griffor, M, Kurumbail, R.G. | | 登録日 | 2014-08-24 | | 公開日 | 2015-03-18 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor.
J.Med.Chem., 58, 2015
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5VZ3
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6DUN
 | | Crystal Structure Analysis of PIN1 | | 分子名称: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, TRIHYDROXYARSENITE(III) | | 著者 | Seo, H.-S, Dhe-Paganon, S. | | 登録日 | 2018-06-21 | | 公開日 | 2019-03-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Arsenic targets Pin1 and cooperates with retinoic acid to inhibit cancer-driving pathways and tumor-initiating cells.
Nat Commun, 9, 2018
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5VFC
 | | WDR5 bound to inhibitor MM-589 | | 分子名称: | 1,2-ETHANEDIOL, N-{(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-(N'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide, SULFATE ION, ... | | 著者 | Stuckey, J.A. | | 登録日 | 2017-04-07 | | 公開日 | 2017-06-28 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction.
J. Med. Chem., 60, 2017
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7LVA
 | | Solution structure of the HIV-1 PBS-segment | | 分子名称: | RNA (103-MER) | | 著者 | Heng, X, Song, Z. | | 登録日 | 2021-02-24 | | 公開日 | 2021-03-17 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR, SOLUTION SCATTERING | | 主引用文献 | The three-way junction structure of the HIV-1 PBS-segment binds host enzyme important for viral infectivity.
Nucleic Acids Res., 49, 2021
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