5R9U
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5RA8
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2ZR1
| Agglutinin from Abrus Precatorius | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Agglutinin-1 chain A, Agglutinin-1 chain B | 著者 | Cheng, J, Lu, T.H, Liu, C.L, Lin, J.Y. | 登録日 | 2008-08-22 | 公開日 | 2009-08-25 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | A biophysical elucidation for less toxicity of Agglutinin than Abrin-a from the Seeds of Abrus Precatorius in consequence of crystal structure J.Biomed.Sci., 17, 2010
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4JWS
| Crystal structure of Cytochrome P450cam-putidaredoxin complex | 分子名称: | 1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione, CALCIUM ION, Camphor 5-monooxygenase, ... | 著者 | Tripathi, S.M, Li, H, Poulos, T.L. | 登録日 | 2013-03-27 | 公開日 | 2013-06-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structural basis for effector control and redox partner recognition in cytochrome P450. Science, 340, 2013
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4J6U
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4J8T
| Engineered Digoxigenin binder DIG10.2 | 分子名称: | DIGOXIGENIN, Engineered Digoxigenin binder protein DIG10.2 | 著者 | Stoddard, B.L, Doyle, L.A. | 登録日 | 2013-02-14 | 公開日 | 2013-06-26 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Computational design of ligand-binding proteins with high affinity and selectivity. Nature, 501, 2013
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5R90
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5R9J
| PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N14231a in complex with MAP kinase p38-alpha | 分子名称: | 3-ethyl-1-[(1~{R},8~{S},9~{S},10~{S})-10-oxidanyl-11-oxatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-9-yl]imidazolidine-2,4-dione, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | De Nicola, G.F, Nichols, C.E. | 登録日 | 2020-03-04 | 公開日 | 2020-07-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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5RA4
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5R92
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5A5J
| Cytochrome 2C9 P450 inhibitor complex | 分子名称: | CYTOCHROME P450 2C9, N-[4-(3-chloranyl-4-cyano-phenoxy)-3,5-dimethoxy-phenyl]-1,1,1-tris(fluoranyl)methanesulfonamide, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Skerratt, S.E, de Groot, M.J, Phillips, C. | 登録日 | 2015-06-18 | 公開日 | 2016-08-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery of a Novel Binding Pocket for Cyp 2C9 Inhibitors: Crystallography, Pharmacophore Modelling and Inhibitor Sar. To be Published
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5R9I
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5R9W
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5AD4
| Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-(2-(Dimethylamino)ethyl)phenoxy)methyl)quinolin-2- amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2015-08-20 | 公開日 | 2015-10-28 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.981 Å) | 主引用文献 | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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5ADD
| Structure of rat neuronal nitric oxide synthase d597n m336v mutant heme domain in complex with 7-((3-(methylamino)methyl) phenoxy)methyl)quinolin-2-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2015-08-20 | 公開日 | 2015-10-28 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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5ADL
| Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((3-(Methylamino)methyl)phenoxy)methyl)quinolin-2- amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2015-08-20 | 公開日 | 2015-10-28 | 最終更新日 | 2015-11-25 | 実験手法 | X-RAY DIFFRACTION (2.205 Å) | 主引用文献 | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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5ADJ
| Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((3-(2-(Methylamino)ethyl)phenoxy)methyl)quinolin-2- amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2015-08-20 | 公開日 | 2015-10-28 | 最終更新日 | 2015-11-25 | 実験手法 | X-RAY DIFFRACTION (2.217 Å) | 主引用文献 | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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5R8W
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5R9C
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5R9R
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5RA7
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2X34
| Structure of a polyisoprenoid binding domain from Saccharophagus degradans implicated in plant cell wall breakdown | 分子名称: | CELLULOSE-BINDING PROTEIN, X158, Ubiquinone-8 | 著者 | Vincent, F, Dal Molin, D, Weiner, R.M, Bourne, Y, Henrissat, B. | 登録日 | 2010-01-19 | 公開日 | 2010-03-23 | 最終更新日 | 2018-03-07 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure of a Polyisoprenoid Binding Domain from Saccharophagus Degradans Implicated in Plant Cell Wall Breakdown FEBS Lett., 584, 2010
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4ZYJ
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5TV5
| BioW from Aquifex aeoulicus | 分子名称: | 6-carboxyhexanoate--CoA ligase | 著者 | Estrada, P, Manandhar, M, Dong, S.-H, Deveryshetty, J, Agarwal, V, Cronan, J.E, Nair, S.K. | 登録日 | 2016-11-08 | 公開日 | 2016-12-07 | 最終更新日 | 2017-05-31 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The pimeloyl-CoA synthetase BioW defines a new fold for adenylate-forming enzymes. Nat. Chem. Biol., 13, 2017
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5R97
| PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13662a in complex with MAP kinase p38-alpha | 分子名称: | 4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | De Nicola, G.F, Nichols, C.E. | 登録日 | 2020-03-04 | 公開日 | 2020-07-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.438 Å) | 主引用文献 | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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