4HCC
| The zinc ion bound form of crystal structure of E.coli ExoI-ssDNA complex | Descriptor: | DNA (5'-D(*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), Exodeoxyribonuclease I, ISOPROPYL ALCOHOL, ... | Authors: | Qiu, R, Wei, J, Lou, T, Liu, M, Ji, C, Gong, W. | Deposit date: | 2012-09-29 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | The structures of Escherichia coli exonuclease I in complex with the single strand DNA To be published
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4HCB
| The metal-free form of crystal structure of E.coli ExoI-ssDNA complex | Descriptor: | DNA (5'-D(*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), Exodeoxyribonuclease I, GLYCEROL, ... | Authors: | Qiu, R, Wei, J, Lou, T, Liu, M, Ji, C, Gong, W. | Deposit date: | 2012-09-29 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structures of Escherichia coli exonuclease I in complex with the single strand DNA To be published
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4R5Y
| The complex structure of Braf V600E kinase domain with a novel Braf inhibitor | Descriptor: | 5-({(1R,1aS,6bR)-1-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl}oxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one, Serine/threonine-protein kinase B-raf | Authors: | Feng, Y, Peng, H, Zhang, Y, Liu, Y, Wei, M. | Deposit date: | 2014-08-22 | Release date: | 2016-02-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | BGB-283, a Novel RAF Kinase and EGFR Inhibitor, Displays Potent Antitumor Activity in BRAF-Mutated Colorectal Cancers. Mol.Cancer Ther., 14, 2015
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8TXY
| X-ray crystal structure of JRD-SIK1/2i-3 bound to a MARK2-SIK2 chimera | Descriptor: | DI(HYDROXYETHYL)ETHER, N-[(5P,8R)-5-(2-cyano-5-{[(3R)-1-methylpyrrolidin-3-yl]methoxy}pyridin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide, SULFATE ION, ... | Authors: | Raymond, D.D, Lemke, C.T, Shaffer, P.L, Collins, B, Steele, R, Seierstad, M. | Deposit date: | 2023-08-24 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of highly selective SIK1/2 inhibitors that modulate innate immune activation and suppress intestinal inflammation. Proc.Natl.Acad.Sci.USA, 121, 2024
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7U8C
| Crystal structure of Mesothelin C-terminal peptide-MORAb 15B6 FAB complex | Descriptor: | MORab 15B6 Fab heavy chain, MORab 15B6 Fab light chain, Mesothelin, ... | Authors: | Zhan, J, Esser, L, Xia, D. | Deposit date: | 2022-03-08 | Release date: | 2022-06-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Highly active CAR T cells that bind to a juxtamembrane region of mesothelin and are not blocked by shed mesothelin. Proc.Natl.Acad.Sci.USA, 119, 2022
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8E2M
| Bruton's tyrosine kinase (BTK) with compound 13 | Descriptor: | (5P)-5-[4-methyl-6-(2-methylpropyl)pyridin-3-yl]-4-oxo-N-[(1R,2S)-2-propanamidocyclopentyl]-4,5-dihydro-3H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide, TRIETHYLENE GLYCOL, Tyrosine-protein kinase BTK | Authors: | Alexander, R, Milligan, C.M. | Deposit date: | 2022-08-15 | Release date: | 2022-11-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.904 Å) | Cite: | Discovery of JNJ-64264681: A Potent and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J.Med.Chem., 65, 2022
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5TVD
| Crystal structure of Tm16 | Descriptor: | Tm16 | Authors: | Asojo, O.A. | Deposit date: | 2016-11-08 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.734 Å) | Cite: | Identification, Characterization, and Structure of Tm16 from Trichuris muris. J Parasitol Res, 2017, 2017
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4YQH
| 2-[2-(4-Phenyl-1H-imidazol-2-yl)ethyl]quinoxaline (Sunovion Compound 14) co-crystallized with PDE10A | Descriptor: | 2-[2-(4-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline, MAGNESIUM ION, ZINC ION, ... | Authors: | Burdi, D, Herman, L, Wang, T. | Deposit date: | 2015-03-13 | Release date: | 2015-04-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.308 Å) | Cite: | Evolution and synthesis of novel orally bioavailable inhibitors of PDE10A. Bioorg.Med.Chem.Lett., 25, 2015
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4YS7
| Co-crystal structure of 2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3H-imidazo[4,5-f]quinoline (compound 39) with PDE10A | Descriptor: | 2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3H-imidazo[4,5-f]quinoline, MAGNESIUM ION, ZINC ION, ... | Authors: | Burdi, D.F, Herman, L, Wang, T. | Deposit date: | 2015-03-16 | Release date: | 2015-04-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | Evolution and synthesis of novel orally bioavailable inhibitors of PDE10A. Bioorg.Med.Chem.Lett., 25, 2015
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6AGG
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5XOB
| Crystal structure of apo TiaS (tRNAIle2 agmatidine synthetase) | Descriptor: | MAGNESIUM ION, ZINC ION, tRNA(Ile2) 2-agmatinylcytidine synthetase TiaS | Authors: | Dong, J. | Deposit date: | 2017-05-27 | Release date: | 2018-08-29 | Last modified: | 2018-10-24 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structure of tRNA-Modifying Enzyme TiaS and Motions of Its Substrate Binding Zinc Ribbon. J. Mol. Biol., 430, 2018
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7DQZ
| Crystal structure of SARS 3C-like protease in apo form | Descriptor: | 3C-like proteinase | Authors: | Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J. | Deposit date: | 2020-12-24 | Release date: | 2021-09-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus. J.Virol., 96, 2022
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7EO7
| Crystal structure of HCoV-NL63 3C-like protease in complex with an inhibitor Shikonin | Descriptor: | 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase | Authors: | Gao, H.X, Zhang, Y.T, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J. | Deposit date: | 2021-04-21 | Release date: | 2021-10-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.24916625 Å) | Cite: | Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus. J.Virol., 96, 2022
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7EO8
| Crystal structure of SARS coronavirus main protease in complex with an inhibitor Shikonin | Descriptor: | 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase | Authors: | Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J. | Deposit date: | 2021-04-21 | Release date: | 2021-10-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2808516 Å) | Cite: | Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus. J.Virol., 96, 2022
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6AKW
| Crystal structure of RNA dioxygenase bound with an inhibitor | Descriptor: | 2-OXOGLUTARIC ACID, 2-[[2,6-bis(chloranyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]amino]benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO | Authors: | Yang, C.-G, Huang, Y, Gan, J. | Deposit date: | 2018-09-04 | Release date: | 2019-05-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Small-Molecule Targeting of Oncogenic FTO Demethylase in Acute Myeloid Leukemia. Cancer Cell, 35, 2019
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7MW4
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7MW6
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7MW5
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7MW2
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7MW3
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4ZDV
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7X2M
| Crystal structure of nanobody 1-2C7 with SARS-CoV-2 RBD | Descriptor: | 1-2C7, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-D-mannopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1 | Authors: | Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X. | Deposit date: | 2022-02-25 | Release date: | 2022-12-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses. Nat Commun, 13, 2022
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7X2L
| Crystal structure of nanobody 3-2A2-4 with SARS-CoV-2 RBD | Descriptor: | Nanobody 3-2A2-4, Spike protein S1, 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 | Authors: | Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X. | Deposit date: | 2022-02-25 | Release date: | 2022-12-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses. Nat Commun, 13, 2022
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7X2J
| Crystal structure of nanobody Nb70 with SARS-CoV RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Nb70, Spike protein S1 | Authors: | Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X. | Deposit date: | 2022-02-25 | Release date: | 2022-12-21 | Last modified: | 2023-06-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses. Nat Commun, 13, 2022
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7X2K
| Crystal structure of nanobody Nb70 with antibody 1F11 fab and SARS-CoV-2 RBD | Descriptor: | 1F11-H, 1F11-L, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X. | Deposit date: | 2022-02-25 | Release date: | 2022-12-21 | Last modified: | 2023-06-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses. Nat Commun, 13, 2022
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