PDB structures of cholesterol-containing membranes

Available structures:

Reference:

You are welcome to use any of these structures for your research. Please cite:

Christian L. Wennberg, David van der Spoel, and Jochen S. Hub
Large influence of cholesterol on solute partitioning into lipid membranes
J. Am. Chem. Soc. 134, 5351–5361 (2012) [pdf] [www] [supporting info]

Jochen S. Hub, Fritz K. Winkler, Mike Merrick, and Bert L. de Groot
Potentials of mean force and permeabilities for carbon dioxide, ammonia, and water flux across a Rhesus protein channel and lipid membranes
J. Am. Chem. Soc. 132, 13251-13263 (2010) [pdf] [www] [supporting info]


dmpc.20chol_200ns.pdb

DMPC with 20 molar-% cholesterol

100 DMPC, 24 cholesterol, 4221 TIP4P water
200 ns equilibration [PDB]
dmpc.30chol_200ns.pdb

DMPC with 30 molar-% cholesterol

100 DMPC, 42 cholesterol, 5316 TIP4P water
200 ns equilibration [PDB]
dmpc.40chol_200ns.pdb

DMPC with 40 molar-% cholesterol

80 DMPC, 54 cholesterol, 5323 TIP4P water
200 ns equilibration [PDB]
dmpc.50chol_200ns.pdb

DMPC with 50 molar-% cholesterol

70 DMPC, 70 cholesterol, 5330 TIP4P water
200 ns equilibration [PDB]
dopc.10chol_195ns.pdb

DOPC with 10 molar-% cholesterol

120 DOPC, 14 cholesterol, 4727 TIP4P water
195 ns equilibration [PDB]
dopc.20chol_195ns.pdb

DOPC with 20 molar-% cholesterol

120 DOPC, 30 cholesterol, 4711 TIP4P water
195 ns equilibration [PDB]
dopc.30chol_195ns.pdb

DOPC with 30 molar-% cholesterol

100 DOPC, 42 cholesterol, 4894 TIP4P water
195 ns equilibration [PDB]
dopc.40chol_195ns.pdb

DOPC with 40 molar-% cholesterol

90 DOPC, 60 cholesterol, 4983 TIP4P water
195 ns equilibration [PDB]
dopc.50chol_195ns.pdb

DOPC with 50 molar-% cholesterol

80 DOPC, 80 cholesterol, 5048 TIP4P water
195 ns equilibration [PDB]
dppc.20chol_700ns.pdb

DPPC with 20 molar-% cholesterol

100 DPPC, 24 cholesterol, 4111 TIP4P water
700 ns equilibration [PDB]
dppc.30chol_700ns.pdb

DPPC with 30 molar-% cholesterol

100 DPPC, 42 cholesterol, 5224 TIP4P water
700 ns equilibration [PDB]
dppc.40chol_700ns.pdb

DPPC with 40 molar-% cholesterol

80 DPPC, 54 cholesterol, 5230 TIP4P water
700 ns equilibration [PDB]
dppc.50chol_700ns.pdb

DPPC with 50 molar-% cholesterol

70 DPPC, 70 cholesterol, 5257 TIP4P water
700 ns equilibration [PDB]
popc.20chol_200ns.pdb

POPC with 20 molar-% cholesterol

100 POPC, 24 cholesterol, 3274 TIP4P water
200 ns equilibration [PDB]
popc.30chol_200ns.pdb

POPC with 30 molar-% cholesterol

100 POPC, 42 cholesterol, 4374 TIP4P water
200 ns equilibration [PDB]
popc.40chol_200ns.pdb

POPC with 40 molar-% cholesterol

80 POPC, 54 cholesterol, 4529 TIP4P water
200 ns equilibration [PDB]
popc.50chol_200ns.pdb

POPC with 50 molar-% cholesterol

80 POPC, 80 cholesterol, 4496 TIP4P water
200 ns equilibration [PDB]
pope.20chol_200ns.pdb

POPE with 20 molar-% cholesterol

120 POPE, 30 cholesterol, 4455 TIP4P water
200 ns equilibration [PDB]
pope.30chol_200ns.pdb

POPE with 30 molar-% cholesterol

100 POPE, 42 cholesterol, 4621 TIP4P water
200 ns equilibration [PDB]
pope.40chol_200ns.pdb

POPE with 40 molar-% cholesterol

90 POPE, 60 cholesterol, 3799 TIP4P water
200 ns equilibration [PDB]
pope.50chol_200ns.pdb

POPE with 50 molar-% cholesterol

80 POPE, 80 cholesterol, 4697 TIP4P water
200 ns equilibration [PDB]
pope+popc.00chol_50ns.pdb

POPE+POPC with 0 molar-% cholesterol

64 POPE, 64 POPC, 0 cholesterol, 3293 TIP4P water
50 ns equilibration [PDB]
pope+popc.10chol_300ns.pdb

POPE+POPC with 10 molar-% cholesterol

64 POPE, 64 POPC, 14 cholesterol, 4264 TIP4P water
300 ns equilibration [PDB]
pope+popc.20chol_300ns.pdb

POPE+POPC with 20 molar-% cholesterol

64 POPE, 64 POPC, 32 cholesterol, 4263 TIP4P water
300 ns equilibration [PDB]
pope+popc.30chol_300ns.pdb

POPE+POPC with 30 molar-% cholesterol

54 POPE, 54 POPC, 46 cholesterol, 4377 TIP4P water
300 ns equilibration [PDB]
pope+popc.40chol_250ns.pdb

POPE+POPC with 40 molar-% cholesterol

64 POPE, 64 POPC, 86 cholesterol, 6903 TIP4P water
250 ns equilibration [PDB]
pope+popc.50chol_300ns.pdb

POPE+POPC with 50 molar-% cholesterol

40 POPE, 40 POPC, 80 cholesterol, 4836 TIP4P water
300 ns equilibration [PDB]
pope+popc.60chol_295ns.pdb

POPE+POPC with 60 molar-% cholesterol

44 POPE, 44 POPC, 132 cholesterol, 7141 TIP4P water
295 ns equilibration [PDB]