5EXN
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![BU of 5exn by Molmil](/molmil-images/mine/5exn) | FACTOR XIA (C500S [C122S]) IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate | Authors: | Sheriff, S. | Deposit date: | 2015-11-23 | Release date: | 2016-04-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group Bioorg.Med.Chem., 24, 2016
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5EXL
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5EXM
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![BU of 5exm by Molmil](/molmil-images/mine/5exm) | |
5E2P
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![BU of 5e2p by Molmil](/molmil-images/mine/5e2p) | |
5E2O
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![BU of 5e2o by Molmil](/molmil-images/mine/5e2o) | |
1QT1
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![BU of 1qt1 by Molmil](/molmil-images/mine/1qt1) | |
8GW4
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![BU of 8gw4 by Molmil](/molmil-images/mine/8gw4) | SARS-CoV-2 Mpro 1-302/C145A in complex with peptide 8-1 | Descriptor: | Replicase polyprotein 1ab, peptide 8-1 | Authors: | Liu, M, Huang, H. | Deposit date: | 2022-09-16 | Release date: | 2023-08-23 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The S1'-S3' Pocket of the SARS-CoV-2 Main Protease Is Critical for Substrate Selectivity and Can Be Targeted with Covalent Inhibitors. Angew.Chem.Int.Ed.Engl., 62, 2023
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8GWS
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![BU of 8gws by Molmil](/molmil-images/mine/8gws) | SARS-CoV-2 Mpro 1-302 c145a in complex with peptide 4 | Descriptor: | Replicase polyprotein 1ab, VAL-LYS-LEU-GLN-ALA-ILE-PHE-ARG | Authors: | Liu, M, Fu, Z, Huang, H. | Deposit date: | 2022-09-17 | Release date: | 2023-08-23 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The S1'-S3' Pocket of the SARS-CoV-2 Main Protease Is Critical for Substrate Selectivity and Can Be Targeted with Covalent Inhibitors. Angew.Chem.Int.Ed.Engl., 62, 2023
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5TKT
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![BU of 5tkt by Molmil](/molmil-images/mine/5tkt) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((12E,15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,12,16(19)-HEXAEN-5-YL)CARBAMATE | Descriptor: | 1,2-ETHANEDIOL, Factor XIa (Light Chain), METHYL ((12E,15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2, ... | Authors: | Sheriff, S. | Deposit date: | 2016-10-07 | Release date: | 2017-03-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker. J. Med. Chem., 60, 2017
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5TKS
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![BU of 5tks by Molmil](/molmil-images/mine/5tks) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR ((15S)-18-CHLORO- 15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2- PROPENOYL)AMINO)-17,19-DIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE | Descriptor: | ((15S)-18-CHLORO- 15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2- PROPENOYL)AMINO)-17,19-DIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE, 1,2-ETHANEDIOL, Coagulation factor XI, ... | Authors: | Sheriff, S. | Deposit date: | 2016-10-07 | Release date: | 2017-03-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker. J. Med. Chem., 60, 2017
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5TKU
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![BU of 5tku by Molmil](/molmil-images/mine/5tku) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE | Descriptor: | 1,2-ETHANEDIOL, Factor XIa (Light Chain), METHYL ((15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]N ONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE, ... | Authors: | Sheriff, S. | Deposit date: | 2016-10-07 | Release date: | 2017-03-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker. J. Med. Chem., 60, 2017
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6THV
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![BU of 6thv by Molmil](/molmil-images/mine/6thv) | X-ray structure of the Danio rerio histone deacetylase 6 (HDAC6; catalytic domain 2) in complex with Tubastatin A | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-methyl-3,4-dihydro-1~{H}-pyrido[4,3-b]indol-5-yl)methyl]-~{N}-oxidanyl-benzamide, DI(HYDROXYETHYL)ETHER, ... | Authors: | Barinka, C, Motlova, L, Svoboda, M. | Deposit date: | 2019-11-21 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structural and in Vivo Characterization of Tubastatin A, a Widely Used Histone Deacetylase 6 Inhibitor. Acs Med.Chem.Lett., 11, 2020
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6ILP
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![BU of 6ilp by Molmil](/molmil-images/mine/6ilp) | Cryo-EM structure of full Echovirus 6 particle at PH 7.4 | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Gao, G.F, Liu, S, Zhao, X, Peng, R. | Deposit date: | 2018-10-19 | Release date: | 2019-05-15 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B. Cell, 177, 2019
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6ILN
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![BU of 6iln by Molmil](/molmil-images/mine/6iln) | Cryo-EM structure of full Echovirus 6 particle at PH 5.5 | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Gao, G.F, Liu, S, Zhao, X, Peng, R. | Deposit date: | 2018-10-19 | Release date: | 2019-05-15 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B. Cell, 177, 2019
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8JPQ
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![BU of 8jpq by Molmil](/molmil-images/mine/8jpq) | SARS-CoV-2 Mpro in complex with D-5-96 | Descriptor: | ACETIC ACID, ALANINE, ISOLEUCINE, ... | Authors: | Liu, M, Huang, H. | Deposit date: | 2023-06-12 | Release date: | 2023-08-23 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The S1'-S3' Pocket of the SARS-CoV-2 Main Protease Is Critical for Substrate Selectivity and Can Be Targeted with Covalent Inhibitors. Angew.Chem.Int.Ed.Engl., 62, 2023
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7SZQ
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![BU of 7szq by Molmil](/molmil-images/mine/7szq) | Human P300 complexed with an azaindazole inhibitor | Descriptor: | 1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-1H-pyrazolo[4,3-b]pyridin-5-yl-D-prolinamide, Histone acetyltransferase p300 | Authors: | Shewchuk, L.M, Reid, R.A. | Deposit date: | 2021-11-29 | Release date: | 2022-11-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of Proline-Based p300/CBP Inhibitors Using DNA-Encoded Library Technology in Combination with High-Throughput Screening. J.Med.Chem., 65, 2022
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7SSK
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![BU of 7ssk by Molmil](/molmil-images/mine/7ssk) | Human P300 complexed with a glycine-based inhibitor | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Histone acetyltransferase p300, ... | Authors: | Shewchuk, L.M, Reid, R.A. | Deposit date: | 2021-11-11 | Release date: | 2022-11-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Discovery of Proline-Based p300/CBP Inhibitors Using DNA-Encoded Library Technology in Combination with High-Throughput Screening. J.Med.Chem., 65, 2022
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7SS8
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![BU of 7ss8 by Molmil](/molmil-images/mine/7ss8) | Human P300 complexed with a proline-based inhibitor | Descriptor: | 1,2-ETHANEDIOL, 1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-{[3-(methylcarbamoyl)phenyl]methyl}-D-prolinamide, Histone acetyltransferase p300, ... | Authors: | Shewchuk, L.M, Reid, R.A. | Deposit date: | 2021-11-10 | Release date: | 2022-11-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of Proline-Based p300/CBP Inhibitors Using DNA-Encoded Library Technology in Combination with High-Throughput Screening. J.Med.Chem., 65, 2022
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6ILK
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![BU of 6ilk by Molmil](/molmil-images/mine/6ilk) | Cryo-EM structure of Echovirus 6 complexed with its attachment receptor CD55 at PH 7.4 | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Gao, G.F, Liu, S, Zhao, X, Peng, R. | Deposit date: | 2018-10-18 | Release date: | 2019-05-15 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B. Cell, 177, 2019
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6ILM
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![BU of 6ilm by Molmil](/molmil-images/mine/6ilm) | Cryo-EM structure of Echovirus 6 complexed with its uncoating receptor FcRn at PH 7.4 | Descriptor: | Beta-2-microglobulin, Capsid protein VP1, Capsid protein VP2, ... | Authors: | Gao, G.F, Liu, S, Zhao, X, Peng, R. | Deposit date: | 2018-10-19 | Release date: | 2019-05-15 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B. Cell, 177, 2019
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6ILO
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![BU of 6ilo by Molmil](/molmil-images/mine/6ilo) | Cryo-EM structure of empty Echovirus 6 particle at PH 7.4 | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3 | Authors: | Gao, G.F, Liu, S, Zhao, X, Peng, R. | Deposit date: | 2018-10-19 | Release date: | 2019-05-15 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B. Cell, 177, 2019
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6ILL
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![BU of 6ill by Molmil](/molmil-images/mine/6ill) | Cryo-EM structure of Echovirus 6 complexed with its uncoating receptor FcRn at PH 5.5 | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Gao, G.F, Liu, S, Zhao, X, Peng, R. | Deposit date: | 2018-10-19 | Release date: | 2019-05-15 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B. Cell, 177, 2019
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6ILJ
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![BU of 6ilj by Molmil](/molmil-images/mine/6ilj) | Cryo-EM structure of Echovirus 6 complexed with its attachment receptor CD55 at PH 5.5 | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Gao, G.F, Liu, S, Zhao, X, Peng, R. | Deposit date: | 2018-10-18 | Release date: | 2019-05-15 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B. Cell, 177, 2019
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1TBN
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![BU of 1tbn by Molmil](/molmil-images/mine/1tbn) | NMR STRUCTURE OF A PROTEIN KINASE C-G PHORBOL-BINDING DOMAIN, MINIMIZED AVERAGE STRUCTURE | Descriptor: | PROTEIN KINASE C, GAMMA TYPE, ZINC ION | Authors: | Xu, R.X, Pawelczyk, T, Xia, T, Brown, S.C. | Deposit date: | 1997-04-15 | Release date: | 1998-04-29 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR structure of a protein kinase C-gamma phorbol-binding domain and study of protein-lipid micelle interactions. Biochemistry, 36, 1997
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1TBO
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![BU of 1tbo by Molmil](/molmil-images/mine/1tbo) | NMR STRUCTURE OF A PROTEIN KINASE C-G PHORBOL-BINDING DOMAIN, 30 STRUCTURES | Descriptor: | PROTEIN KINASE C, GAMMA TYPE, ZINC ION | Authors: | Xu, R.X, Pawelczyk, T, Xia, T, Brown, S.C. | Deposit date: | 1997-04-15 | Release date: | 1998-04-29 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR structure of a protein kinase C-gamma phorbol-binding domain and study of protein-lipid micelle interactions. Biochemistry, 36, 1997
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