3E01
| HIV-RT with non-nucleoside inhibitor annulated pyrazole 2 | Descriptor: | 3-[2-bromo-4-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile, Gag-Pol polyprotein | Authors: | Harris, S.F, Villasenor, A. | Deposit date: | 2008-07-30 | Release date: | 2008-11-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Design of annulated pyrazoles as inhibitors of HIV-1 reverse transcriptase J.Med.Chem., 51, 2008
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7T98
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7T97
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4IH5
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6VBN
| Crystal Structure of hTDO2 bound to inhibitor GNE1 | Descriptor: | 1,5-anhydro-2,3-dideoxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-D-threo-pentitol, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase | Authors: | Harris, S.F, Oh, A. | Deposit date: | 2019-12-19 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors. Acs Med.Chem.Lett., 11, 2020
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4ZFG
| Dual-specificity Fab 5A12 in complex with Angiopoietin 2 | Descriptor: | Angiopoietin-2, CALCIUM ION, Fragment antigen binding 5A12 heavy chain, ... | Authors: | Harris, S.F, Wu, P. | Deposit date: | 2015-04-21 | Release date: | 2015-07-01 | Last modified: | 2015-09-16 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Deep Sequencing-guided Design of a High Affinity Dual Specificity Antibody to Target Two Angiogenic Factors in Neovascular Age-related Macular Degeneration. J.Biol.Chem., 290, 2015
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6W4G
| Hepatitis C virus polymerase NS5B with RO inhibitor for SAR studies | Descriptor: | 5-[[(2~{S})-4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-~{tert}-butyl-3-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]methyl]-2-fluoranyl-benzenecarbonitrile, NS5B | Authors: | Harris, S.F. | Deposit date: | 2020-03-10 | Release date: | 2020-11-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Identification of Noncompetitive Protein-Ligand Interactions for Structural Optimization. J.Chem.Inf.Model., 60, 2020
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4IH6
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4IH7
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4ZFF
| Dual-acting Fab 5A12 in complex with VEGF | Descriptor: | Fragment antigen binding (Fab) 5A12 Heavy chain, Fragment antigen binding (Fab) 5A12 Light chain, SULFATE ION, ... | Authors: | Harris, S.F, Wu, P. | Deposit date: | 2015-04-21 | Release date: | 2015-07-01 | Last modified: | 2015-09-16 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Deep Sequencing-guided Design of a High Affinity Dual Specificity Antibody to Target Two Angiogenic Factors in Neovascular Age-related Macular Degeneration. J.Biol.Chem., 290, 2015
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5CEO
| DLK in complex with inhibitor 2-((6-(3,3-difluoropyrrolidin-1-yl)-4-(1-(oxetan-3-yl)piperidin-4-yl)pyridin-2-yl)amino)isonicotinonitrile | Descriptor: | 2-[[6-[3,3-bis(fluoranyl)pyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-yl]amino]pyridine-4-carbonitrile, Mitogen-activated protein kinase kinase kinase 12 | Authors: | HARRIS, S.F, YIN, J. | Deposit date: | 2015-07-07 | Release date: | 2015-10-14 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12). J.Med.Chem., 58, 2015
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5CEN
| Crystal structure of DLK (kinase domain) | Descriptor: | Mitogen-activated protein kinase kinase kinase 12 | Authors: | HARRIS, S.F, YIN, J. | Deposit date: | 2015-07-07 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12). J.Med.Chem., 58, 2015
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5CEP
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5CEQ
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5CVM
| USP46~ubiquitin BEA covalent complex | Descriptor: | Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 46, ZINC ION | Authors: | Harris, S.F, Yin, J. | Deposit date: | 2015-07-27 | Release date: | 2015-10-07 | Last modified: | 2015-11-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Insights into WD-Repeat 48 Activation of Ubiquitin-Specific Protease 46. Structure, 23, 2015
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5CVL
| WDR48 (UAF-1), residues 2-580 | Descriptor: | GOLD ION, PHOSPHATE ION, WD repeat-containing protein 48 | Authors: | HARRIS, S.F, YIN, J. | Deposit date: | 2015-07-27 | Release date: | 2015-10-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Insights into WD-Repeat 48 Activation of Ubiquitin-Specific Protease 46. Structure, 23, 2015
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5DFW
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5CVN
| WDR48 (2-580):USP46~ubiquitin ternary complex | Descriptor: | Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 46, WD repeat-containing protein 48, ... | Authors: | Harris, S.F, Yin, J. | Deposit date: | 2015-07-27 | Release date: | 2015-10-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.36 Å) | Cite: | Structural Insights into WD-Repeat 48 Activation of Ubiquitin-Specific Protease 46. Structure, 23, 2015
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5DFV
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5CVO
| WDR48:USP46~ubiquitin ternary complex | Descriptor: | Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 46, WD repeat-containing protein 48, ... | Authors: | Harris, S.F, Yin, J. | Deposit date: | 2015-07-27 | Release date: | 2015-10-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.885 Å) | Cite: | Structural Insights into WD-Repeat 48 Activation of Ubiquitin-Specific Protease 46. Structure, 23, 2015
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5VO2
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2GQ0
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5VO1
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3NBP
| HIV-1 reverse transcriptase with aminopyrimidine inhibitor 2 | Descriptor: | 4-(4-{[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino}piperidin-1-yl)benzenesulfonamide, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ... | Authors: | Harris, S.F, Villasenor, A.G. | Deposit date: | 2010-06-03 | Release date: | 2010-08-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Discovery of piperidin-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-benzyl derivatives with broad potency against resistant mutant viruses. Bioorg.Med.Chem.Lett., 20, 2010
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3DI6
| HIV-1 RT with pyridazinone non-nucleoside inhibitor | Descriptor: | 6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2H)-one, Reverse transcriptase/ribonuclease H, p51 RT | Authors: | Harris, S.F, Villasenor, A, Dunten, P. | Deposit date: | 2008-06-19 | Release date: | 2008-08-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery and optimization of pyridazinone non-nucleoside inhibitors of HIV-1 reverse transcriptase. Bioorg.Med.Chem.Lett., 18, 2008
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