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Three-dimensional Structures of Opioid Ligands


This is an alphabetical listing of the ligands for which we currently have three-dimensional coordinates in the form of PDB files. Please watch this list for new additions. The PDB files were converted from the three-dimensional structures available from the Cambridge Structural Database and can be viewed with any PDB file viewer. We use RasMol, but many use Chemscape Chime. If you would prefer to view these structures in VRML format, please contact me for more information, or visit Horst Vollhardt's VRML in Chemistry page. The VRML files we do have were converted from the PDB files by using Vollhardt's PDB to VRML Converter.

For a complete list of neuropeptide structures, please visit the Laboratory of the Structure of Matter (LSM) at the Navy Research Laboratory (NRL).
Ligand PDB fileReference
Bremazocine bremazocine.pdbVerlinde et al.,(1984) Acta Cryst.,C (Cr. Str. Comm.) 40, 1759
Buprenorphine buprenorphine.pdbKratochvil et al., (1994) Collect.Czech.Chem. Commun. 59, 2472
DiprenorphineDIP.pdb Flippen-Anderson et al.,(1994) Heterocycles 39, 751
DPDPEDPDPE_1.pdb Flippen-Anderson et al.,(1994) J.Am.Chem.Soc. 116, 7523
Leu5-Enkephalin leuenkephalin.pdbKarle et al., (1983) Acta Cryst.,B (Str.Sci.) 39, 625
Met5-Enkephalin metenkephalin.pdbGriffin et al., (1986) Proc. Nat. Acad. Sci. U.S.A. 83, 3272
EthylketocyclazocineEKC.pdb Verlinde et al.,(1983) Acta Cryst.,C (Cr. Str. Comm.) 39, 1703
Etorphineetorphine.pdb Flippen-Anderson et al.,(1994) Heterocycles 39, 751
Fentanylfentanyl.pdb Flippen-Anderson et al.,(1994) Heterocycles 39, 751
Beta-FunaltrexaminebetaFNA.pdb Griffen, J.F., Larson, D.L., Portoghese, P.S. (1986) J. Med. Chem.39, 778
Methadonemethadone.pdb Singh et al., (1989) Acta Cryst.,C (Cr. Str. Comm.) 45, 1469
Methylmethadone methylmethadone.pdbPortoghese et al., (1982) J.Med.Chem.25, 684
Morphinemorphine.pdb Bye, E. (1976) Acta Chem.Scand.Ser.B30, 549
Nalbuphinenalbuphine.pdb Sime et al., (1976) Acta Crystallogr., Sect B32, 809
Nalorphinenalorphine.pdb Gelders et al., (1979) Cryst. Struct. Commun.8, 995
Naloxonenaloxone.pdb Klein et al., (1987) J. Am. Chem. Soc.,109, 6675
Naltrexonenaltrexone.pdb Le Dain et al., (1992) Aust. J. Chem.,45, 635
Nor-binaltorphiminenorBNI.pdb Urbanczyk-Lipkowska, Z., Etter, M.C., Lipkowski, A.W., Portoghese, P.S. (1987) J. Mol. Struct.,159, 287
Octreotideoctreotide.pdb Pohl et al., (1995) Acta Cryst.,D (Biol.Cryst.),51, 48
Oxymorphoneoxymorphone.pdb Sime et al., (1976) Acta Crystallogr., Sect B32, 2937
Sufentanylsufentanyl.pdb Peeters et al., (1979) Acta Crystallogr., Sect B35, 999
U-69,593U69593.pdb Doi et al., (1990) Chem.Pharm.Bull.38 1815