Database of articles cited by EMDB/PDB/SASBDB data

Keywords
Structure methods	All X-ray diffraction NMR electron microscopy small angle scattering neutron diffraction fiber diffraction powder diffraction infrared spectroscopy EPR fluorescence transfer theoretical model Hybrid
Author
Journal
IF	>30 >20 >10 >5 all

Title	Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Journal, issue, pages	Proc. Natl. Acad. Sci. USA, Vol. 108, Page 20982-20987, Year 2011
Publish date	Jan 10, 2009 (structure data deposition date)
Authors	Torbeev, V.Y. / Raghuraman, H. / Hamelberg, D. / Tonelli, M. / Westler, W.M. / Perozo, E. / Kent, S.B.
External links	Proc. Natl. Acad. Sci. USA / PubMed:22158985
Methods	X-ray diffraction
Resolution	1.3 - 1.9 Å
Structure data	PDB-3fsm: CRYSTAL STRUCTURE OF A CHEMICALLY SYNTHESIZED 203 AMINO ACID 'COVALENT DIMER' [L-Ala51,D-Ala51'] HIV-1 PROTEASE MOLECULE Method: X-RAY DIFFRACTION / Resolution: 1.6 Å PDB-3hau: Crystal structure of chemically synthesized HIV-1 protease with reduced isostere MVT-101 inhibitor Method: X-RAY DIFFRACTION / Resolution: 1.3 Å PDB-3haw: Crystal structure of [L-Ala51/51']HIV-1 protease with reduced isostere MVT-101 inhibitor Method: X-RAY DIFFRACTION / Resolution: 1.3 Å PDB-3hbo: Crystal structure of chemically synthesized [D-Ala51/51']HIV-1 protease Method: X-RAY DIFFRACTION / Resolution: 1.71 Å PDB-3hdk: Crystal structure of chemically synthesized [Aib51/51']HIV-1 protease Method: X-RAY DIFFRACTION / Resolution: 1.8 Å PDB-3hlo: Crystal structure of chemically synthesized 'covalent dimer' [Gly51/D-Ala51']HIV-1 protease Method: X-RAY DIFFRACTION / Resolution: 1.6 Å PDB-3iaw: Crystal structure of a chemically synthesized 203 amino acid 'covalent dimer' [Gly51;Aib51']HIV-1 protease molecule complexed with MVT-101 reduced isostere inhibitor at 1.6 A resolution Method: X-RAY DIFFRACTION / Resolution: 1.61 Å PDB-3ka2: Crystal structure of chemically synthesized 203 amino acid 'covalent dimer' [L-Ala;Gly51']HIV-1 protease molecule complexed with MVT-101 reduced isostere inhibitor at 1.4 A resolution Method: X-RAY DIFFRACTION / Resolution: 1.4 Å PDB-3nwq: X-ray structure of ester chemical analogue [O-Ile50,O-Ile50']HIV-1 protease complexed with MVT-101 Method: X-RAY DIFFRACTION / Resolution: 1.5 Å PDB-3nwx: X-ray structure of ester chemical analogue [O-Ile50,O-Ile50']HIV-1 protease complexed with KVS-1 inhibitor Method: X-RAY DIFFRACTION / Resolution: 1.9 Å PDB-3nxe: X-ray structure of ester chemical analogue 'covalent dimer' [Ile50,O-Ile50']HIV-1 protease complexed with MVT-101 inhibitor Method: X-RAY DIFFRACTION / Resolution: 1.61 Å PDB-3nxn: X-ray structure of ester chemical analogue 'covalent dimer' [Ile50,O-Ile50']HIV-1 protease complexed with KVS-1 inhibitor Method: X-RAY DIFFRACTION / Resolution: 1.8 Å PDB-3nyg: X-ray structure of ester chemical analogue [O-Gly51,O-Gly51']HIV-1 protease complexed with MVT-101 inhibitor Method: X-RAY DIFFRACTION / Resolution: 1.45 Å
Chemicals	ChemComp-2NC: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide ChemComp-HOH: WATER / Water ChemComp-SO4: SULFATE ION / Sulfate ChemComp-KVS: N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide
Keywords	HYDROLASE/HYDROLASE INHIBITOR / asymmetric dimer / covalent dimer / beta-sheet / HYDROLASE-HYDROLASE INHIBITOR complex / beta barrel / HYDROLASE / beta-barrel