4MQ2
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![BU of 4mq2 by Molmil](/molmil-images/mine/4mq2) | The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, PENTAETHYLENE GLYCOL, SULFATE ION, ... | Authors: | Lukacs, C.M, Janson, C.A, Garvie, C, Liang, L. | Deposit date: | 2013-09-15 | Release date: | 2013-12-11 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Pyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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4MQ1
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![BU of 4mq1 by Molmil](/molmil-images/mine/4mq1) | The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, N-(5-{[(1R)-3-amino-1-(3-chlorophenyl)propyl]carbamoyl}-2-chlorophenyl)-2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide, PENTAETHYLENE GLYCOL, ... | Authors: | Lukacs, C.M, Janson, C.A, Garvie, C, Liang, L. | Deposit date: | 2013-09-15 | Release date: | 2013-12-11 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Pyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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3OXC
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![BU of 3oxc by Molmil](/molmil-images/mine/3oxc) | Wild Type HIV-1 Protease with Antiviral Drug Saquinavir | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, FORMIC ACID, Protease, ... | Authors: | Kovalevsky, A.Y, Wang, Y.-F, Tie, Y, Weber, I.T. | Deposit date: | 2010-09-21 | Release date: | 2010-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir Proteins, 67, 2007
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2IEN
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![BU of 2ien by Molmil](/molmil-images/mine/2ien) | Crystal structure analysis of HIV-1 protease with a potent non-peptide inhibitor (UIC-94017) | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETIC ACID, CHLORIDE ION, ... | Authors: | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Manna, D, Hussain, A.K, Leshchenko, S, Ghosh, A.K, Louis, J.M, Harrison, R.W, Weber, I.T. | Deposit date: | 2006-09-19 | Release date: | 2006-10-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | High Resolution Crystal Structures of HIV-1 Protease with a Potent Non-Peptide Inhibitor (Uic-94017) Active Against Multi-Drug-Resistant Clinical Strains. J.Mol.Biol., 338, 2004
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3LE6
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![BU of 3le6 by Molmil](/molmil-images/mine/3le6) | The structure of cyclin dependent kinase 2 (CKD2) with a pyrazolobenzodiazepine inhibitor | Descriptor: | 5-(2-chlorophenyl)-3-methyl-7-nitropyrazolo[3,4-b][1,4]benzodiazepine, Cell division protein kinase 2 | Authors: | Lukacs, C.M, Swain, A, Crowther, R.L, Kammlott, R.U, Liu, J.J. | Deposit date: | 2010-01-14 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Pyrazolobenzodiazepines: part I. Synthesis and SAR of a potent class of kinase inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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6Y67
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![BU of 6y67 by Molmil](/molmil-images/mine/6y67) | |
6Y60
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![BU of 6y60 by Molmil](/molmil-images/mine/6y60) | Structure of Human Polyomavirus 12 VP1 in complex with 3'-Sialyllactosamine | Descriptor: | Capsid protein VP1, N-acetyl-alpha-neuraminic acid, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ... | Authors: | Stroh, L.J, Rustmeier, N.H, Stehle, T. | Deposit date: | 2020-02-26 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Structural Basis and Evolution of Glycan Receptor Specificities within the Polyomavirus Family. Mbio, 11, 2020
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6Y64
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![BU of 6y64 by Molmil](/molmil-images/mine/6y64) | Structure of Sheep Polyomavirus VP1 in complex with 6'-Sialyllactosamine | Descriptor: | 1,2-ETHANEDIOL, Capsid protein VP1, GLYCEROL, ... | Authors: | Stroh, L.J, Rustmeier, N.H, Stehle, T. | Deposit date: | 2020-02-26 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Basis and Evolution of Glycan Receptor Specificities within the Polyomavirus Family. Mbio, 11, 2020
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6Y63
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![BU of 6y63 by Molmil](/molmil-images/mine/6y63) | Structure of Sheep Polyomavirus VP1 in complex with 3'-Sialyllactosamine | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Capsid protein VP1, MAGNESIUM ION, ... | Authors: | Stroh, L.J, Rustmeier, N.H, Stehle, T. | Deposit date: | 2020-02-26 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.651 Å) | Cite: | Structural Basis and Evolution of Glycan Receptor Specificities within the Polyomavirus Family. Mbio, 11, 2020
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6Y5Z
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6Y5Y
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![BU of 6y5y by Molmil](/molmil-images/mine/6y5y) | Structure of New Jersey Polyomavirus VP1 in complex with 3'-Sialyllactose | Descriptor: | GLYCEROL, MAGNESIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, ... | Authors: | Stroh, L.J, Rustmeier, N.H, Stehle, T. | Deposit date: | 2020-02-26 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis and Evolution of Glycan Receptor Specificities within the Polyomavirus Family. Mbio, 11, 2020
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6Y9I
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6Y65
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![BU of 6y65 by Molmil](/molmil-images/mine/6y65) | Structure of apo Goose Hemorrhagic Polyomavirus VP1 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Capsid protein VP1, ... | Authors: | Stroh, L.J, Rustmeier, N.H, Stehle, T. | Deposit date: | 2020-02-26 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural Basis and Evolution of Glycan Receptor Specificities within the Polyomavirus Family. Mbio, 11, 2020
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6Y61
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![BU of 6y61 by Molmil](/molmil-images/mine/6y61) | |
6Y5X
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6Y6A
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![BU of 6y6a by Molmil](/molmil-images/mine/6y6a) | Structure of Finch Polyomavirus VP1 in complex with 2-O-Methyl-5-N-acetyl-alpha-D-neuraminic acid | Descriptor: | CHLORIDE ION, Capsid protein VP1, MAGNESIUM ION, ... | Authors: | Stroh, L.J, Rustmeier, N.H, Stehle, T. | Deposit date: | 2020-02-26 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural Basis and Evolution of Glycan Receptor Specificities within the Polyomavirus Family. Mbio, 11, 2020
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6Y66
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![BU of 6y66 by Molmil](/molmil-images/mine/6y66) | Structure of Goose Hemorrhagic Polyomavirus VP1 in complex with 2-O-Methyl-5-N-acetyl-alpha-D-neuraminic acid | Descriptor: | 1,2-ETHANEDIOL, 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid, Capsid protein VP1, ... | Authors: | Stroh, L.J, Rustmeier, N.H, Stehle, T. | Deposit date: | 2020-02-26 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Basis and Evolution of Glycan Receptor Specificities within the Polyomavirus Family. Mbio, 11, 2020
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1T3W
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![BU of 1t3w by Molmil](/molmil-images/mine/1t3w) | Crystal Structure of the E.coli DnaG C-terminal domain (residues 434 to 581) | Descriptor: | ACETIC ACID, DNA primase | Authors: | Oakley, A.J, Loscha, K.V, Schaeffer, P.M, Liepinsh, E, Wilce, M.C.J, Otting, G, Dixon, N.E. | Deposit date: | 2004-04-28 | Release date: | 2004-11-02 | Last modified: | 2016-09-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal and solution structures of the helicase-binding domain of Escherichia coli primase J.Biol.Chem., 280, 2005
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7N9G
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![BU of 7n9g by Molmil](/molmil-images/mine/7n9g) | Crystal structure of the Abl 1b Kinase domain in complex with Dasatinib and Imatinib | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, PHOSPHATE ION, ... | Authors: | Miller, D.J, Xie, T. | Deposit date: | 2021-06-17 | Release date: | 2022-04-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Imatinib can act as an Allosteric Activator of Abl Kinase. J.Mol.Biol., 434, 2022
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6CH3
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6CH1
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6CH2
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![BU of 6ch2 by Molmil](/molmil-images/mine/6ch2) | Crystal structure of the cytoplasmic domain of FlhA and FliT-FliD complex | Descriptor: | Flagellar biosynthesis protein FlhA, Flagellar hook-associated protein 2,Flagellar protein FliT, GLYCEROL | Authors: | Xing, Q, Shi, K, Kalodimos, C.G. | Deposit date: | 2018-02-21 | Release date: | 2018-05-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structures of chaperone-substrate complexes docked onto the export gate in a type III secretion system. Nat Commun, 9, 2018
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2N47
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![BU of 2n47 by Molmil](/molmil-images/mine/2n47) | EC-NMR Structure of Synechocystis sp. PCC 6803 Slr1183 Determined by Combining Evolutionary Couplings (EC) and Sparse NMR Data. Northeast Structural Genomics Consortium target SgR145 | Descriptor: | Slr1183 protein | Authors: | Tang, Y, Huang, Y.J, Hopf, T.A, Sander, C, Marks, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2015-06-17 | Release date: | 2015-07-01 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Protein structure determination by combining sparse NMR data with evolutionary couplings. Nat.Methods, 12, 2015
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6T6I
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6T6E
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![BU of 6t6e by Molmil](/molmil-images/mine/6t6e) | |