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Angewandte Chemie - International Edition

Volumn 54, Issue 46, 2015, Pages 13550-13554

Structural, Biochemical, and Computational Studies Reveal the Mechanism of Selective Aldehyde Dehydrogenase 1A1 Inhibition by Cytotoxic Duocarmycin Analogues

(8) Koch, Maximilian F a Harteis, Sabrina a Blank, Iris D b Pestel, Galina c Tietze, Lutz F c Ochsenfeld, Christian b Schneider, Sabine a Sieber, Stephan A a

a TECHNICAL UNIVERSITY OF MUNICH (Germany)

b UNIVERSITY OF MUNICH (Germany)

c UNIVERSITY OF GÖTTINGEN (Germany)

Author keywords

ALDH1A1; duocarmycin; enzymes; inhibitors; protein structure

Indexed keywords

ALDEHYDES; BINDING ENERGY; CORROSION INHIBITORS; ENZYMES; POLYCYCLIC AROMATIC HYDROCARBONS; PROTEINS; VAN DER WAALS FORCES;

ALDEHYDE DEHYDROGENASE; ALDH1A1; COMPUTATIONAL STUDIES; DUOCARMYCIN; MOLECULAR DYNAMICS SIMULATIONS; NUCLEOPHILIC ATTACK; PROTEIN STRUCTURES; VAN DER WAALS INTERACTIONS;

MOLECULAR DYNAMICS;

2 PYRROLIDONE DERIVATIVE; ALDEHYDE DEHYDROGENASE; ALDH1A1 PROTEIN, HUMAN; ANTINEOPLASTIC ANTIBIOTIC; DUOCARMYCIN A; ENZYME INHIBITOR; INDOLE DERIVATIVE;

ANTAGONISTS AND INHIBITORS; CHEMICAL STRUCTURE; CHEMISTRY; HUMAN; METABOLISM; MOLECULAR DYNAMICS; STRUCTURE ACTIVITY RELATION; X RAY CRYSTALLOGRAPHY;

ALDEHYDE DEHYDROGENASE; ANTIBIOTICS, ANTINEOPLASTIC; CRYSTALLOGRAPHY, X-RAY; ENZYME INHIBITORS; HUMANS; INDOLES; MOLECULAR DYNAMICS SIMULATION; MOLECULAR STRUCTURE; PYRROLIDINONES; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84946499655 PISSN: 14337851 EISSN: 15213773 Source Type: Journal
DOI: 10.1002/anie.201505749 Document Type: Article

Times cited : (24)

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