2C2T

Human Dihydrofolate Reductase Complexed With NADPH and 2,4-Diamino-5-((7,8-dicarbaundecaboran-7-yl)methyl)-6-methylpyrimidine, a novel boron containing, nonclassical Antifolate

Summary for 2C2T

• Entry DOI: 10.2210/pdb2c2t/pdb
• Related: 1BOZ 1DHF 1DLR 1DLS 1DRF 1HFP 1HFQ 1HFR 1KMS 1KMV 1MVS 1MVT 1OHJ 1OHK 1PD8 1PD9 1PDB 1S3U 1S3V 1S3W 1U71 1U72 2C2S 2DHF
• Descriptor: DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (S)-2,4-DIAMINO-5-((7,8-DICARBAUNDECABORAN-7-YL)METHYL)-6-METHYLPYRIMIDINE, ... (5 entities in total)
• Functional Keywords: nonclassical antifolates, lipophilic antifolates, nadp, one- carbon metabolism, oxidoreductase, reductase
• Biological source: HOMO SAPIENS (HUMAN)
• Total number of polymer chains: 2
• Total formula weight: 45315.92

Authors

leung, A.K.W.,reynolds, R.C.,riordan, J.M.,borhani, D.W. (deposition date: 2005-09-30, release date: 2007-04-10, Last modification date: 2023-10-04)

• Primary citation: Reynolds, R.C.,Campbell, S.R.,Fairchild, R.G.,Kisliuk, R.L.,Micca, P.L.,Queener, S.F.,Riordan, J.M.,Sedwick, W.D.,Waud, W.R.,Leung, A.K.W.,Dixon, R.W.,Suling, W.J.,Borhani, D.W.; Novel Boron-Containing, Nonclassical Antifolates: Synthesis and Preliminary Biological and Structural Evaluation.; J.Med.Chem., 50:3283-, 2007; PubMed: 17569517; DOI: 10.1021/JM0701977

Experimental method

X-RAY DIFFRACTION (1.5 Å)