1RSD

DHNA complex with 3-(5-Amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-[2-(2-hydroxymethyl-phenylsulfanyl)-benzyl]-benzamide

Summary for 1RSD

• Entry DOI: 10.2210/pdb1rsd/pdb
• Related: 1RR5 1RRI 1RRW 1RRY 1RS2 1RS4 1RSI
• Descriptor: Dihydroneopterin aldolase, 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-[2-(2-(HYDROXYMETHYL-PHENYLSULFANYL)-BENZYL]-BENZAMIDE (2 entities in total)
• Functional Keywords: dhna, 7, 8-dihydroneopterin aldolase, 3-(5-amino-7-hydroxy-[1, 2, 3]triazolo[4, 5-d]pyrimidin-2-yl)-n-[2-(2-hydroxymethyl-phenylsulfanyl)-benzyl]-benzamide, lyase
• Biological source: Staphylococcus aureus
• Total number of polymer chains: 1
• Total formula weight: 14269.18

Authors

Sanders, W.J.,Nienaber, V.L.,Lerner, C.G.,McCall, J.O.,Merrick, S.M.,Swanson, S.J.,Harlan, J.E.,Stoll, V.S.,Stamper, G.F.,Betz, S.F.,Condroski, K.R.,Meadows, R.P.,Severin, J.M.,Walter, K.A.,Magdalinos, P.,Jakob, C.G.,Wagner, R.,Beutel, B.A. (deposition date: 2003-12-09, release date: 2004-03-30, Last modification date: 2024-02-14)

• Primary citation: Sanders, W.J.,Nienaber, V.L.,Lerner, C.G.,McCall, J.O.,Merrick, S.M.,Swanson, S.J.,Harlan, J.E.,Stoll, V.S.,Stamper, G.F.,Betz, S.F.,Condroski, K.R.,Meadows, R.P.,Severin, J.M.,Walter, K.A.,Magdalinos, P.,Jakob, C.G.,Wagner, R.,Beutel, B.A.; Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.; J.Med.Chem., 47:1709-1718, 2004; PubMed: 15027862; DOI: 10.1021/jm030497y

Experimental method

X-RAY DIFFRACTION (2.5 Å)