3GBK
| Crystal Structure of Human PPAR-gamma Ligand Binding Domain Complexed with a Potent and Selective Agonist | Descriptor: | 2-[(1-{3-[4-(biphenyl-4-ylcarbonyl)-2-propylphenoxy]propyl}-1,2,3,4-tetrahydroquinolin-5-yl)oxy]-2-methylpropanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Peng, Y.-H, Lin, C.-H, Hsieh, H.-P, Wu, S.-Y. | Deposit date: | 2009-02-19 | Release date: | 2009-12-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design and structural analysis of novel pharmacophores for potent and selective peroxisome proliferator-activated receptor gamma agonists J.Med.Chem., 52, 2009
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5EK3
| Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | Descriptor: | (1~{R})-1-cyclohexyl-2-[(5~{S})-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Peng, Y.H, Wu, J.S, Wu, S.Y. | Deposit date: | 2015-11-03 | Release date: | 2015-12-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.209 Å) | Cite: | Important Hydrogen Bond Networks in Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitor Design Revealed by Crystal Structures of Imidazoleisoindole Derivatives with IDO1 J.Med.Chem., 59, 2016
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5EK2
| Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | Descriptor: | 1-cyclohexyl-2-[(5~{S})-6-fluoranyl-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanone, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Peng, Y.H, Wu, J.S, Wu, S.Y. | Deposit date: | 2015-11-03 | Release date: | 2015-12-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Important Hydrogen Bond Networks in Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitor Design Revealed by Crystal Structures of Imidazoleisoindole Derivatives with IDO1 J.Med.Chem., 59, 2016
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3NOA
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4QPO
| Mechanistic basis of plasmid-specific DNA binding of the F plasmid regulatory protein, TraM | Descriptor: | PHOSPHATE ION, Relaxosome protein TraM | Authors: | Peng, Y, Lu, J, Wong, J, Edwards, R.A, Frost, L.S, Glover, J.N.M. | Deposit date: | 2014-06-24 | Release date: | 2014-09-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | Mechanistic Basis of Plasmid-Specific DNA Binding of the F Plasmid Regulatory Protein, TraM. J.Mol.Biol., 426, 2014
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4QPQ
| Mechanistic basis of plasmid-specific DNA binding of the F plasmid regulatory protein, TraM | Descriptor: | Relaxosome protein TraM, sbmA DNA1, sbmA DNA2 | Authors: | Peng, Y, Lu, J, Wong, J, Edwards, R.A, Frost, L.S, Glover, J.N.M. | Deposit date: | 2014-06-24 | Release date: | 2014-09-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.106 Å) | Cite: | Mechanistic Basis of Plasmid-Specific DNA Binding of the F Plasmid Regulatory Protein, TraM. J.Mol.Biol., 426, 2014
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3BGD
| Thiopurine S-Methyltransferase | Descriptor: | 9H-purine-6-thiol, S-ADENOSYL-L-HOMOCYSTEINE, Thiopurine S-methyltransferase | Authors: | Peng, Y, Yee, V.C. | Deposit date: | 2007-11-26 | Release date: | 2008-06-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis of Substrate Recognition in Thiopurine S-Methyltransferase Biochemistry, 47 (23), 6216 6225, 2008. 10.1021/bi800102x, 2008
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3BGI
| Thiopurine S-Methyltransferase | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, Thiopurine S-methyltransferase | Authors: | Peng, Y, Yee, V.C. | Deposit date: | 2007-11-26 | Release date: | 2008-06-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis of Substrate Recognition in Thiopurine S-Methyltransferase Biochemistry, 47 (23), 6216 6225, 2008. 10.1021/bi800102x, 2008
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2HWQ
| Structural basis for the structure-activity relationships of Peroxisome Proliferator-Activated Receptor agonists | Descriptor: | Peroxisome proliferator-activated receptor gamma, [(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}-1H-INDOL-5-YL)OXY]ACETIC ACID | Authors: | Peng, Y.H, Lu, I.L, Mahindroo, N, Lin, C.H, Hsieh, H.P, Wu, S.Y. | Deposit date: | 2006-08-01 | Release date: | 2007-08-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural basis for the structure-activity relationships of peroxisome proliferator-activated receptor agonists J.Med.Chem., 49, 2006
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2HWR
| Structural basis for the structure-activity relationships of Peroxisome Proliferator-Activated Receptor agonists | Descriptor: | 2-[(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}-1H-INDOL-4-YL)OXY]-2-METHYLPROPANOIC ACID, Peroxisome proliferator-activated receptor gamma | Authors: | Peng, Y.H, Lu, I.L, Mahindroo, N, Lin, C.H, Hsieh, H.P, Wu, S.Y. | Deposit date: | 2006-08-01 | Release date: | 2007-08-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structural basis for the structure-activity relationships of peroxisome proliferator-activated receptor agonists J.Med.Chem., 49, 2006
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2QFX
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2QFY
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2QFV
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2QFW
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2L5P
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8GUF
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3ROD
| Methyltransferase | Descriptor: | NICOTINAMIDE, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Peng, Y, Yee, V.C. | Deposit date: | 2011-04-25 | Release date: | 2011-09-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Structural basis of substrate recognition in human nicotinamide N-methyltransferase. Biochemistry, 50, 2011
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8HLK
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8JBR
| Structure of McyA2-CAPCP | Descriptor: | 4'-PHOSPHOPANTETHEINE, ADENOSINE-5'-TRIPHOSPHATE, McyA protein | Authors: | Peng, Y.J. | Deposit date: | 2023-05-09 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of McyA2-CAPCP To Be Published
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4JQ7
| Crystal structure of EGFR kinase domain in complex with compound 2a | Descriptor: | (2S)-2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol, Epidermal growth factor receptor | Authors: | Peng, Y.H, Wu, J.S. | Deposit date: | 2013-03-20 | Release date: | 2013-06-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Protein Kinase Inhibitor Design by Targeting the Asp-Phe-Gly (DFG) Motif: The Role of the DFG Motif in the Design of Epidermal Growth Factor Receptor Inhibitors J.Med.Chem., 56, 2013
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4JRV
| Crystal structure of EGFR kinase domain in complex with compound 4c | Descriptor: | 4-(dimethylamino)-N-[3-(4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]butanamide, Epidermal growth factor receptor | Authors: | Peng, Y.H, Wu, J.S. | Deposit date: | 2013-03-22 | Release date: | 2013-06-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Protein Kinase Inhibitor Design by Targeting the Asp-Phe-Gly (DFG) Motif: The Role of the DFG Motif in the Design of Epidermal Growth Factor Receptor Inhibitors J.Med.Chem., 56, 2013
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4JQ8
| Crystal structure of EGFR kinase domain in complex with compound 4b | Descriptor: | Epidermal growth factor receptor, N-[3-(4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]-N~3~,N~3~-dimethyl-beta-alaninamide | Authors: | Peng, Y.H, Wu, J.S. | Deposit date: | 2013-03-20 | Release date: | 2013-06-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Protein Kinase Inhibitor Design by Targeting the Asp-Phe-Gly (DFG) Motif: The Role of the DFG Motif in the Design of Epidermal Growth Factor Receptor Inhibitors J.Med.Chem., 56, 2013
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4JR3
| Crystal structure of EGFR kinase domain in complex with compound 3g | Descriptor: | Epidermal growth factor receptor, N-[3-(4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]acetamide | Authors: | Peng, Y.H, Wu, J.S. | Deposit date: | 2013-03-21 | Release date: | 2013-06-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Protein Kinase Inhibitor Design by Targeting the Asp-Phe-Gly (DFG) Motif: The Role of the DFG Motif in the Design of Epidermal Growth Factor Receptor Inhibitors J.Med.Chem., 56, 2013
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4LA1
| Crystal structure of SjTGR (thioredoxin glutathione reductase from Schistosoma japonicumi)complex with FAD | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | Authors: | Peng, Y, Wu, Q, Huang, F, Chen, J, Li, X, Zhou, X, Fan, X. | Deposit date: | 2013-06-18 | Release date: | 2014-07-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.348 Å) | Cite: | Crystal structure of SjTGR complex with FAD To be Published
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7CDZ
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