Ligand Statistics

Code Name Deposits Targets Ligand Type
MSE selenomethionine 364 320 modified residue
GOL glycerol 102 90 crystallization
EDO 1,2-ethanediol 79 58 crystallization
SO4 sulfate ion 76 55 crystallization
CL chloride ion 55 49 crystallization
GOL glycerol 28 24 other
ACT acetate ion 26 26 crystallization
MG magnesium ion 24 11 biological
NA sodium ion 24 24 crystallization
PEG di(hydroxyethyl)ether 18 17 crystallization
ACY acetic acid 17 14 crystallization
CL chloride ion 17 16 other
SO4 sulfate ion 15 14 other
FMT formic acid 15 11 other
PO4 phosphate ion 14 14 crystallization
FMT formic acid 14 13 crystallization
CA calcium ion 13 13 crystallization
ZN zinc ion 13 10 biological
MG magnesium ion 13 13 crystallization
ACT acetate ion 13 11 other
TRS 2-amino-2-hydroxymethyl-propane-1,3-diol 12 12 crystallization
PG4 tetraethylene glycol 11 11 crystallization
PGE triethylene glycol 10 10 crystallization
MES 2-(n-morpholino)-ethanesulfonic acid 7 7 crystallization
NA sodium ion 7 7 other
CIT citric acid 7 6 crystallization
EDO 1,2-ethanediol 7 6 other
MLY n-dimethyl-lysine 7 7 modified residue
ZN zinc ion 6 5 other
BME beta-mercaptoethanol 6 5 crystallization
K Potassium 6 6 crystallization
CA calcium ion 6 6 other
EPE 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid 6 5 crystallization
ACY acetic acid 6 6 other
AMP adenosine monophosphate 5 3 biological
CSO s-hydroxycysteine 5 5 modified residue
LLP 2-lysine(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridi n-4-ylmethane) 5 1 biological
PEG di(hydroxyethyl)ether 5 5 other
CA calcium ion 4 4 biological
FLC citrate anion 4 4 crystallization
COA coenzyme A 4 2 biological
NO3 nitrate ion 4 4 crystallization
PMP 4'-deoxy-4'-aminopyridoxal-5'-phosphate 4 1 biological
IMD imidazole 4 4 crystallization
PLP pyridoxal-5'-phosphate 4 4 biological
TMP thymidine-5'-phosphate 3 2 biological
PHB p-hydroxybenzoic acid 3 2 biological
OCS cysteinesulfonic acid 3 3 modified residue
NI nickel (II) ion 3 3 crystallization
ZN zinc ion 3 3 crystallization
PO4 phosphate ion 3 2 biological
PO4 phosphate ion 3 3 other
PYR pyruvic acid 3 2 other
SCN thiocyanate ion 3 3 crystallization
CIT citric acid 3 3 other
CME s,s-(2-hydroxyethyl)thiocysteine 3 3 modified residue
ADP adenosine-5'-diphosphate 3 3 biological
ZZ7 (2r,4s)-2-[(r)-{[(2r)-2-amino-2-phenylacetyl]amino}(car boxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid 2 1 biological
ACO acetyl coenzyme A 2 2 biological
ACY acetic acid 2 2 biological
ATM 3'-azido-3'-deoxythymidine-5'-monophosphate 2 2 biological
ATP adenosine-5'-triphosphate 2 2 biological
CLM chloramphenicol 2 1 biological
CXS 3-cyclohexyl-1-propylsulfonic acid 2 2 crystallization
DHC caffeic acid 2 2 biological
ENO 3-(4-hydroxy-phenyl)pyruvic acid 2 2 biological
GDP guanosine-5'-diphosphate 2 1 biological
GSH glutathione 2 2 biological
HC4 4'-hydroxycinnamic acid 2 2 biological
HEZ hexane-1,6-diol 2 1 crystallization
IOD iodide ion 2 2 crystallization
K Potassium 2 2 other
KEN n,n-dimethylmethanamine 2 2 biological
MLI malonate ion 2 2 crystallization
MLT malate ion 2 2 crystallization
MLZ n-methyl-lysine 2 2 modified residue
NHE 2-[n-cyclohexylamino]ethane sulfonic acid 2 2 crystallization
PHB p-hydroxybenzoic acid 2 2 other
PNM open form - penicillin g 2 2 biological
PYR pyruvic acid 2 1 crystallization
SIN succinic acid 2 2 other
SO4 sulfate ion 2 2 biological
SRT s,r meso-tartaric acid 2 2 crystallization
SUC sucrose 2 2 crystallization
TAR d(-)-tartaric acid 2 2 crystallization
TRS 2-amino-2-hydroxymethyl-propane-1,3-diol 2 2 other
1QQ (3s)-3-methyl-2-oxopentanoic acid 1 1 biological
CEP cephalothin group 1 1 biological
CE3 (6s,7s)-3-[(acetyloxy)methyl]-7-{[(2e)-2-(2-amino-1,3-t hiazol-4-yl)-2-(methoxyimino)ethanoyl]amino}-8-oxo-5-th ia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1 1 biological
1PE pentaethylene glycol 1 1 crystallization
GTP guanosine-5'-triphosphate 1 1 biological
TEA triethylammonium ion 1 1 other
THM thymidine 1 1 biological
I3C 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid 1 1 crystallization
C2E 9,9'-[(2r,3r,3as,5s,7ar,9r,10r,10as,12s,14ar)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2h,7h-difuro[3,2-d: 3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6h-purin-6-one) 1 1 biological
IMD imidazole 1 1 other
TLA L(+)-tartaric acid 1 1 crystallization
IPA isopropyl alcohol 1 1 crystallization
K Potassium 1 1 biological
C17 7-[(3-chlorobenzyl)oxy]-2-oxo-2h-chromene-4-carbaldehyd e 1 1 biological
TMO hydroxy(trimethyl)ammonium 1 1 crystallization
35P (2r,4s)-5,5-dimethyl-2-{(1r)-2-oxo-1-[(phenoxyacetyl)am ino]ethyl}-1,3-thiazolidine-4-carboxylic acid 1 1 biological
KOV (6r,7r)-3-[(carbamoyloxy)methyl]-7-{[(2z)-2-(furan-2-yl )-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyc lo[4.2.0]oct-2-ene-2-carboxylic acid 1 1 biological
KPL ketopantoate 1 1 biological
C04 (6r,7r)-7-({(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carbo xymethoxy)imino]acetyl}amino)-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1 1 biological
LLP 2-lysine(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridi n-4-ylmethane) 1 1 modified residue
MES 2-(n-morpholino)-ethanesulfonic acid 1 1 biological
BTB 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol 1 1 other
BGG carbonic acid monobenzyl ester 1 1 biological
BGC beta-d-glucose 1 1 other
MG magnesium ion 1 1 other
2OG 2-oxo-glutaric acid 1 1 biological
0RV (2s)-2-[(1s,2r)-1-carboxy-2-hydroxypropyl]-4-{[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3-methyl-2h-pyrrole-5-carboxylic acid 1 1 biological
MLT malate ion 1 1 other
BGC beta-d-glucose 1 1 crystallization
U20 1 1 biological
MN unknown 1 1 biological
MN unknown 1 1 crystallization
MNB 5-mercapto-2-nitro-benzoic acid 1 1 modified residue
BG6 beta-d-glucose-6-phosphate 1 1 other
MTT maltotetraose 1 1 biological
MUP methoxyundecylphosphinic acid 1 1 biological
BG6 beta-d-glucose-6-phosphate 1 1 biological
BEZ benzoic acid 1 1 other
NAG n-acetyl-d-glucosamine 1 1 biological
NAP NADP nicotinamide-adenine-dinucleotide phosphate 1 1 biological
NAX beta-6-hydroxy-1,4,5,6-tetrhydronicotinamide adenine di nucleotide 1 1 biological
NED (R)-(-)-1-(2-naphthyl)-1,2-ethanediol 1 1 biological
UMP 2'-deoxyuridine 5'-monophosphate 1 1 crystallization
NHE 2-[n-cyclohexylamino]ethane sulfonic acid 1 1 other
BEN benzamidine 1 1 biological
NI nickel (II) ion 1 1 other
BA3 bis(adenosine)-5'-triphosphate 1 1 other
NPW beta-6-hydroxy-1,4,5,6-tetrahydronicotinamide adenine d inucleotide phosphate 1 1 biological
OAA oxaloacetate ion 1 1 biological
OC9 octan-1-ol 1 1 biological
B4P bis(adenosine)-5'-tetraphosphate 1 1 other
B3P 2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propyla mino]-2-hydroxymethyl-propane-1,3-diol 1 1 crystallization
APR adenosine-5-diphosphoribose 1 1 other
PG0 2-(2-methoxyethoxy)ethanol 1 1 crystallization
AP5 bis(adenosine)-5'-pentaphosphate 1 1 other
PG6 1-(2-methoxy-ethoxy)-2-{2-[2-(2-methoxy-ethoxy]-ethoxy}-ethane 1 1 crystallization
AMZ aminoimidazole 4-carboxamide ribonucleotide 1 1 biological
ALY n(6)-acetyllysine 1 1 modified residue
UNL Unknown Ligand 1 1 biological
PLM palmitic acid 1 1 biological
ADN adenosine 1 1 biological
ACX alpha-cyclodextrin (cyclohexa-amylose) 1 1 biological
UNL Unknown Ligand 1 1 crystallization
ABU gamma-amino-butanoic acid 1 1 biological
8AC 8-aminooctanoic acid 1 1 biological
4KR 7-aminocephalosporanic acid 1 1 biological
PPY 3-phenylpyruvic acid 1 1 biological
PSC (7r,17e,20e)-4-hydroxy-n,n,n-trimethyl-9-oxo-7-[(palmit oyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosa-17,20-die n-1-aminium 4-oxide 1 1 other
URE urea 1 1 other
4KO (6r,7s)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-meth oxy-3-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-8-o xo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic aci d 1 1 biological
SAM s-adenosylmethionine 1 1 biological
SBS (s)-n-(3-indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzam ide 1 1 crystallization
3PY 3-hydroxypyruvic acid 1 1 crystallization
SF4 iron/sulfur cluster 1 1 biological
VNL 4-hydroxy-3-methoxybenzoate 1 1 biological
XYS xylopyranose 1 1 biological
CSD 3-sulfinoalanine 1 1 modified residue
3HB 3-hydroxybenzoic acid 1 1 biological
CXU cloxacillin (open form) 1 1 biological
D5M 2'-deoxyadenosine-5'-monophosphate 1 1 other
DHB 3,4-dihydroxybenzoic acid 1 1 biological
3CX (2s)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic ac id 1 1 crystallization
DIO 1,4-diethylene dioxide 1 1 crystallization
CSC 4-(3-acetoxymethyl-2-carboxy-8-oxo-5-thia-1-aza-bicyclo [4.2.0]oct-2-en-7-ylcarbamoyl)-1-carboxy-butyl-ammonium 1 1 biological
COA coenzyme A 1 1 other
ELY n~6~,n~6~-diethyl-l-lysine 1 1 modified residue
1VP n-(phenylacetyl)glycyl-n~6~-acetyl-l-lysine 1 1 biological
ENO 3-(4-hydroxy-phenyl)pyruvic acid 1 1 other
EOH ethanol 1 1 crystallization
EOH ethanol 1 1 other
CLS cephalothin 1 1 biological
FES fe2/s2 (inorganic) cluster 1 1 biological
CL chloride ion 1 1 biological
FLC citrate anion 1 1 other
FMT formic acid 1 1 biological
CHT choline ion 1 1 biological
CFX cefoxitin 1 1 biological
G guanine 1 1 biological
G3P sn-glycerol-3-phosphate 1 1 biological