3P8F
| |
3OK9
| Crystal structure of wild-type HIV-1 protease with new oxatricyclic designed inhibitor GRL-0519A | Descriptor: | (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, ... | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | Deposit date: | 2010-08-24 | Release date: | 2010-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Probing Multidrug-Resistance and Protein-Ligand Interactions with Oxatricyclic Designed Ligands in HIV-1 Protease Inhibitors. Chemmedchem, 5, 2010
|
|
4EK1
| Crystal Structure of Electron-Spin Labeled Cytochrome P450cam | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | Authors: | Lee, Y.-T, Goodin, D.B. | Deposit date: | 2012-04-08 | Release date: | 2012-07-25 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Double electron-electron resonance shows cytochrome P450cam undergoes a conformational change in solution upon binding substrate. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
4AHG
| S28N - Angiogenin mutants and amyotrophic lateral sclerosis - a biochemical and biological analysis | Descriptor: | ANGIOGENIN, D(-)-TARTARIC ACID | Authors: | Thiyagarajan, N, Ferguson, R, Saha, S, Pham, T, Subramanian, V, Acharya, K.R. | Deposit date: | 2012-02-06 | Release date: | 2012-10-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.448 Å) | Cite: | Structural and Molecular Insights Into the Mechanism of Action of Human Angiogenin-Als Variants in Neurons. Nat.Commun., 3, 2012
|
|
4ABA
| Fragments bound to bovine trypsin for the SAMPL challenge | Descriptor: | 1,2-ETHANEDIOL, 1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine, CALCIUM ION, ... | Authors: | Newman, J, Peat, T.S. | Deposit date: | 2011-12-08 | Release date: | 2012-02-08 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. J.Comput.Aided Mol.Des., 26, 2012
|
|
3GI4
| Crystal structure of protease inhibitor, KB60 in complex with wild type HIV-1 protease | Descriptor: | 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, ... | Authors: | Nalam, M.N.L, Schiffer, C.A. | Deposit date: | 2009-03-05 | Release date: | 2010-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Evaluating the substrate-envelope hypothesis: structural analysis of novel HIV-1 protease inhibitors designed to be robust against drug resistance. J.Virol., 84, 2010
|
|
3GCT
| |
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 | Descriptor: | GRB2, SOS-1 | Authors: | Wittekind, M, Mapelli, C, Lee, V, Goldfarb, V, Friedrichs, M.S, Meyers, C.A, Mueller, L. | Deposit date: | 1996-12-23 | Release date: | 1997-09-04 | Last modified: | 2024-10-09 | Method: | SOLUTION NMR | Cite: | 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
|
|
3GCH
| |
3GF1
| |
3WH3
| human Mincle, ligand free form | Descriptor: | C-type lectin domain family 4 member E, CALCIUM ION | Authors: | Furukawa, A, Kamishikiryo, J, Mori, D, Toyonaga, K, Okabe, Y, Toji, A, Kanda, R, Miyake, Y, Ose, T, Yamasaki, S, Maenaka, K. | Deposit date: | 2013-08-21 | Release date: | 2013-10-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Structural analysis for glycolipid recognition by the C-type lectins Mincle and MCL Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4EGL
| Crystal structure of two tandem RNA recognition motifs of Human antigen R | Descriptor: | ELAV-like protein 1, GLYCEROL, SULFATE ION | Authors: | Wang, H, Zeng, F, Liu, H, Teng, M, Li, X. | Deposit date: | 2012-03-31 | Release date: | 2012-05-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of two tandem RNA recognition motifs of Human antigen R To be Published
|
|
3WBG
| Structure of the human heart fatty acid-binding protein in complex with 1-anilinonaphtalene-8-sulphonic acid | Descriptor: | 8-ANILINO-1-NAPHTHALENE SULFONATE, Fatty acid-binding protein, heart | Authors: | Hirose, M, Sugiyama, S, Ishida, H, Niiyama, M, Matsuoka, D, Hara, T, Sato, F, Mizohata, E, Murakami, S, Inoue, T, Matsuoka, S, Murata, M. | Deposit date: | 2013-05-16 | Release date: | 2013-10-30 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | 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
|
|
4EPR
| Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation. | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Sun, Q, Burke, J.P, Phan, J, Burns, M.C, Olejniczak, E.T, Waterson, A.G, Lee, T, Rossanese, O.W, Fesik, S.W. | Deposit date: | 2012-04-17 | Release date: | 2012-05-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation. Angew.Chem.Int.Ed.Engl., 51, 2012
|
|
4EPW
| Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation | Descriptor: | (4-hydroxypiperidin-1-yl)(1H-indol-3-yl)methanethione, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Sun, Q, Burke, J.P, Phan, J, Burns, M.C, Olejniczak, E.T, Waterson, A.G, Lee, T, Rossanese, O.W, Fesik, S.W. | Deposit date: | 2012-04-17 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation. Angew.Chem.Int.Ed.Engl., 51, 2012
|
|
3OOT
| Crystal Structure Analysis of Renin-indole-piperazin inhibitor complexes | Descriptor: | 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 | Authors: | Bocskei, Z. | Deposit date: | 2010-08-31 | Release date: | 2010-10-27 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery and optimization of a new class of potent and non-chiral indole-3-carboxamide-based renin inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
|
|
4ER2
| The active site of aspartic proteinases | Descriptor: | ENDOTHIAPEPSIN, PEPSTATIN, SULFATE ION | Authors: | Bailey, D, Veerapandian, B, Cooper, J.B, Blundell, T.L. | Deposit date: | 1990-10-20 | Release date: | 1991-01-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The active site of aspartic proteinases FEBS Lett., 174, 1984
|
|
4J5J
| |
3WR1
| Crystal structure of Cormorant (Phalacrocorax carbo) hemoglobin | Descriptor: | Hemoglobin subunit alpha-A, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Jagadeesan, G, Vinodh Kumar, V, Peters, H.G, Malathy, P, Harikrishna Etti, S, Gunasekaran, K, Aravindhan, S. | Deposit date: | 2014-02-09 | Release date: | 2014-03-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Crystal structure of Cormorant (Phalacrocorax carbo) hemoglobin To be Published
|
|
4EJK
| |
4EWO
| Design and synthesis of potent hydroxyethylamine (hea) bace-1 inhibitors | Descriptor: | 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 | Authors: | Borkakoti, N, Lindberg, J, Derbyshire, D. | Deposit date: | 2012-04-27 | Release date: | 2012-10-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 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
|
|
4J60
| |
4EWZ
| Human Insulin | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | Authors: | Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R. | Deposit date: | 2012-04-29 | Release date: | 2013-05-01 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.791 Å) | Cite: | Structural meta-analysis of regular human insulin in pharmaceutical formulations. Eur J Pharm Biopharm, 85, 2013
|
|
3WRL
| Crystal structure of P450cam | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | Authors: | Kishimoto, A, Takagi, K, Amano, A, Sakurai, K, Mizushima, T, Shimada, H. | Deposit date: | 2014-02-25 | Release date: | 2015-03-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure of P450cam intermedite To be published
|
|
4J64
| Crystal structure of Ribonuclease A soaked in 40% Dioxane: One of twelve in MSCS set | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Ribonuclease pancreatic, SULFATE ION | Authors: | Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C. | Deposit date: | 2013-02-11 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.781 Å) | Cite: | DRoP: A program for analysis of water structure on protein surfaces to be published
|
|