3P8F
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3OK9
| Crystal structure of wild-type HIV-1 protease with new oxatricyclic designed inhibitor GRL-0519A | 分子名称: | (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, GLYCEROL, ... | 著者 | Wang, Y.-F, Agniswamy, J, Weber, I.T. | 登録日 | 2010-08-24 | 公開日 | 2010-09-22 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | 主引用文献 | Probing Multidrug-Resistance and Protein-Ligand Interactions with Oxatricyclic Designed Ligands in HIV-1 Protease Inhibitors. Chemmedchem, 5, 2010
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4EK1
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4AHG
| S28N - Angiogenin mutants and amyotrophic lateral sclerosis - a biochemical and biological analysis | 分子名称: | ANGIOGENIN, D(-)-TARTARIC ACID | 著者 | Thiyagarajan, N, Ferguson, R, Saha, S, Pham, T, Subramanian, V, Acharya, K.R. | 登録日 | 2012-02-06 | 公開日 | 2012-10-10 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.448 Å) | 主引用文献 | Structural and Molecular Insights Into the Mechanism of Action of Human Angiogenin-Als Variants in Neurons. Nat.Commun., 3, 2012
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4ABA
| Fragments bound to bovine trypsin for the SAMPL challenge | 分子名称: | 1,2-ETHANEDIOL, 1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine, CALCIUM ION, ... | 著者 | Newman, J, Peat, T.S. | 登録日 | 2011-12-08 | 公開日 | 2012-02-08 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. J.Comput.Aided Mol.Des., 26, 2012
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3GI4
| Crystal structure of protease inhibitor, KB60 in complex with wild type HIV-1 protease | 分子名称: | 5S)-N-[(1S,2R)-3-[(1,3-Benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-2-oxo-3-[3-(tr ifluoromethyl)phenyl]-5-oxazolidinecarboxamide, ACETATE ION, PHOSPHATE ION, ... | 著者 | Nalam, M.N.L, Schiffer, C.A. | 登録日 | 2009-03-05 | 公開日 | 2010-03-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Evaluating the substrate-envelope hypothesis: structural analysis of novel HIV-1 protease inhibitors designed to be robust against drug resistance. J.Virol., 84, 2010
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3GCT
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3GBQ
| SOLUTION NMR STRUCTURE OF THE GRB2 N-TERMINAL SH3 DOMAIN COMPLEXED WITH A TEN-RESIDUE PEPTIDE DERIVED FROM SOS DIRECT REFINEMENT AGAINST NOES, J-COUPLINGS, AND 1H AND 13C CHEMICAL SHIFTS, MINIMIZED AVERAGE STRUCTURE | 分子名称: | GRB2, SOS-1 | 著者 | Wittekind, M, Mapelli, C, Lee, V, Goldfarb, V, Friedrichs, M.S, Meyers, C.A, Mueller, L. | 登録日 | 1996-12-23 | 公開日 | 1997-09-04 | 最終更新日 | 2024-10-09 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of the Grb2 N-terminal SH3 domain complexed with a ten-residue peptide derived from SOS: direct refinement against NOEs, J-couplings and 1H and 13C chemical shifts. J.Mol.Biol., 267, 1997
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3GCH
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3GF1
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3WH3
| human Mincle, ligand free form | 分子名称: | C-type lectin domain family 4 member E, CALCIUM ION | 著者 | Furukawa, A, Kamishikiryo, J, Mori, D, Toyonaga, K, Okabe, Y, Toji, A, Kanda, R, Miyake, Y, Ose, T, Yamasaki, S, Maenaka, K. | 登録日 | 2013-08-21 | 公開日 | 2013-10-23 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | 主引用文献 | Structural analysis for glycolipid recognition by the C-type lectins Mincle and MCL Proc.Natl.Acad.Sci.USA, 110, 2013
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4EGL
| Crystal structure of two tandem RNA recognition motifs of Human antigen R | 分子名称: | ELAV-like protein 1, GLYCEROL, SULFATE ION | 著者 | Wang, H, Zeng, F, Liu, H, Teng, M, Li, X. | 登録日 | 2012-03-31 | 公開日 | 2012-05-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Crystal structure of two tandem RNA recognition motifs of Human antigen R To be Published
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3WBG
| Structure of the human heart fatty acid-binding protein in complex with 1-anilinonaphtalene-8-sulphonic acid | 分子名称: | 8-ANILINO-1-NAPHTHALENE SULFONATE, Fatty acid-binding protein, heart | 著者 | Hirose, M, Sugiyama, S, Ishida, H, Niiyama, M, Matsuoka, D, Hara, T, Sato, F, Mizohata, E, Murakami, S, Inoue, T, Matsuoka, S, Murata, M. | 登録日 | 2013-05-16 | 公開日 | 2013-10-30 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structure of the human-heart fatty-acid-binding protein 3 in complex with the fluorescent probe 1-anilinonaphthalene-8-sulphonic acid J.SYNCHROTRON RADIAT., 20, 2013
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4EPR
| Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation. | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | 著者 | Sun, Q, Burke, J.P, Phan, J, Burns, M.C, Olejniczak, E.T, Waterson, A.G, Lee, T, Rossanese, O.W, Fesik, S.W. | 登録日 | 2012-04-17 | 公開日 | 2012-05-23 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation. Angew.Chem.Int.Ed.Engl., 51, 2012
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3OOT
| Crystal Structure Analysis of Renin-indole-piperazin inhibitor complexes | 分子名称: | 2-(3-fluoro-2-methylbenzyl)-4-methyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indol-5-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | 著者 | Bocskei, Z. | 登録日 | 2010-08-31 | 公開日 | 2010-10-27 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Discovery and optimization of a new class of potent and non-chiral indole-3-carboxamide-based renin inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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4EPW
| Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation | 分子名称: | (4-hydroxypiperidin-1-yl)(1H-indol-3-yl)methanethione, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Sun, Q, Burke, J.P, Phan, J, Burns, M.C, Olejniczak, E.T, Waterson, A.G, Lee, T, Rossanese, O.W, Fesik, S.W. | 登録日 | 2012-04-17 | 公開日 | 2012-05-23 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation. Angew.Chem.Int.Ed.Engl., 51, 2012
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4ER2
| The active site of aspartic proteinases | 分子名称: | ENDOTHIAPEPSIN, PEPSTATIN, SULFATE ION | 著者 | Bailey, D, Veerapandian, B, Cooper, J.B, Blundell, T.L. | 登録日 | 1990-10-20 | 公開日 | 1991-01-15 | 最終更新日 | 2017-11-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The active site of aspartic proteinases FEBS Lett., 174, 1984
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4J5J
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3WR1
| Crystal structure of Cormorant (Phalacrocorax carbo) hemoglobin | 分子名称: | Hemoglobin subunit alpha-A, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Jagadeesan, G, Vinodh Kumar, V, Peters, H.G, Malathy, P, Harikrishna Etti, S, Gunasekaran, K, Aravindhan, S. | 登録日 | 2014-02-09 | 公開日 | 2014-03-05 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Crystal structure of Cormorant (Phalacrocorax carbo) hemoglobin To be Published
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4EJK
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4EWO
| Design and synthesis of potent hydroxyethylamine (hea) bace-1 inhibitors | 分子名称: | Beta-secretase 1, N-[(2S,3R)-4-{[(4S)-2-(2,2-dimethylpropyl)-6,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide | 著者 | Borkakoti, N, Lindberg, J, Derbyshire, D. | 登録日 | 2012-04-27 | 公開日 | 2012-10-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Design and synthesis of potent hydroxyethylamine (HEA) BACE-1 inhibitors carrying prime side 4,5,6,7-tetrahydrobenzazole and 4,5,6,7-tetrahydropyridinoazole templates. Bioorg.Med.Chem.Lett., 22, 2012
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4J60
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4EWZ
| Human Insulin | 分子名称: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | 著者 | Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R. | 登録日 | 2012-04-29 | 公開日 | 2013-05-01 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (1.791 Å) | 主引用文献 | Structural meta-analysis of regular human insulin in pharmaceutical formulations. Eur J Pharm Biopharm, 85, 2013
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3WRL
| Crystal structure of P450cam | 分子名称: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | 著者 | Kishimoto, A, Takagi, K, Amano, A, Sakurai, K, Mizushima, T, Shimada, H. | 登録日 | 2014-02-25 | 公開日 | 2015-03-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structure of P450cam intermedite To be published
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4J64
| Crystal structure of Ribonuclease A soaked in 40% Dioxane: One of twelve in MSCS set | 分子名称: | 1,4-DIETHYLENE DIOXIDE, Ribonuclease pancreatic, SULFATE ION | 著者 | Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C. | 登録日 | 2013-02-11 | 公開日 | 2014-01-22 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.781 Å) | 主引用文献 | DRoP: A program for analysis of water structure on protein surfaces to be published
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