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
 | | 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
 | | 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
 | | 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
 | | 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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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
 | | 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
 | | 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
 | | 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
 | | 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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6Y5X
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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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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