Ligand Statistics

Code Name Deposits Targets Ligand Type
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on 481 350 other
MSE 299 242 modified residue
CL CHLORIDE ION 217 183 crystallization
GOL glycerol 153 126 crystallization
SO4 sulfate molecule 152 118 crystallization
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on 103 81 biological
EDO ETHYLENE GLYCOL 103 87 crystallization
PEG polyethylene glycol 102 81 crystallization
CL CHLORIDE ION 54 47 other
NA Sodium ion 54 45 crystallization
GOL glycerol 50 44 other
PGE 48 46 crystallization
SO4 sulfate molecule 48 43 other
PO4 46 40 crystallization
FMT 44 39 crystallization
MG MAGNESIUM ION 43 40 crystallization
ACT 42 36 crystallization
ZN 37 29 biological
CA 31 27 crystallization
IMP 30 7 biological
MG MAGNESIUM ION 30 27 other
TRS TRIS BUFFER 28 24 crystallization
FAD 26 23 biological
NAD 26 16 biological
K unknown 25 9 biological
NA Sodium ion 22 22 other
MG MAGNESIUM ION 22 19 biological
PEG polyethylene glycol 21 19 other
PG4 21 21 crystallization
EDO ETHYLENE GLYCOL 20 18 other
K unknown 18 17 crystallization
CA 18 17 other
ACY 18 14 crystallization
FMT 15 12 other
PO4 15 14 other
ACT 15 15 other
EPE 14 11 crystallization
BME 14 12 crystallization
ACY 13 13 other
MPD unknown 13 10 crystallization
MLI 12 6 crystallization
ZN 12 12 other
FMT 11 10 biological
PO4 11 10 biological
BTB 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol 11 8 crystallization
AMP ADENOSINE MONOPHOSPHATE 11 11 biological
PE3 11 8 crystallization
NI 10 8 crystallization
MN unknown 10 8 biological
ACO 10 7 biological
CIT 10 10 crystallization
IPA 9 7 crystallization
COA coenzyme A 8 7 biological
SO4 sulfate molecule 8 8 biological
ADP 8 8 biological
ZN 8 8 crystallization
KAN 8 3 biological
P6G hexaethylene glycol 8 5 crystallization
1PE 8 8 crystallization
NA Sodium ion 7 2 biological
MES 7 6 crystallization
EPE 7 6 other
MES 6 6 other
NAP 6 6 biological
GDP GUANOSINE-5''-DIPHOSPHATE 5 5 biological
GLC 5 2 biological
CME 5 5 modified residue
SIN succinic acid 5 5 crystallization
SUC 5 5 crystallization
TAR 5 5 crystallization
IMD 5 5 crystallization
IOD 5 5 crystallization
EOH ethanol 5 4 crystallization
LLP 5 3 modified residue
CA 5 4 biological
PG5 5 4 crystallization
FMN 5 5 biological
ANP phosphoaminophosphonic acid-adenylate ester 4 3 biological
AMP ADENOSINE MONOPHOSPHATE 4 4 other
UNX UNKNOWN ATOM 4 2 other
0V5 4 3 biological
ACO 4 2 other
IMD 4 4 other
PLP pyridoxal-5'-phosphate 4 2 biological
POP pyrophosphate 2- 4 4 biological
NI 4 3 other
GAL beta-d-galactose 4 3 biological
MLT 4 4 crystallization
SIA o-sialic acid 4 3 biological
NDP Nicotinamide adenine dinucleotide phosphate 4 4 biological
C91 unknown 3 3 biological
DG unknown 3 2 biological
MPD unknown 3 3 other
ATP adenosine-5'-triphosphate 3 2 biological
DMS dimethyl sulfoxide 3 3 crystallization
PGO 3 1 crystallization
MLT 3 3 biological
FUC alpha-l-fucose 3 3 biological
B3P 2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propyla mino]-2-hydroxymethyl-propane-1,3-diol 3 3 crystallization
TAR 3 3 other
DA unknown 3 2 biological
BR bromide ion 3 3 crystallization
DT unknown 3 2 biological
POP pyrophosphate 2- 3 3 crystallization
S3P shikimate-3-phosphate 3 2 biological
BME 3 3 other
DC unknown 3 2 biological
XMP 3 3 biological
BU1 3 2 crystallization
CAC cacodylate ion 3 3 other
P33 3,6,9,12,15,18-hexaoxaicosane-1,20-diol 3 3 crystallization
CSX S-OXY CYSTEINE 3 3 modified residue
CD 3 3 crystallization
CSO S-HYDROXYCYSTEINE 3 3 modified residue
Q21 unknown 3 3 biological
KCX 3 3 modified residue
ADP 3 3 other
PLM palmitic acid 2 1 crystallization
LY0 2 2 crystallization
MAL maltose 2 2 biological
MLA 2 2 biological
MLA 2 2 crystallization
BCT bicarbonate ion 2 2 crystallization
BDF beta-d-fructopyranose 2 2 biological
MLT 2 2 other
BDF beta-d-fructopyranose 2 2 crystallization
BGC 2 2 biological
MO6 magnesium ion, 6 waters coordinated 2 1 crystallization
MOA mycophenolic acid 2 1 biological
MOH methanol 2 1 crystallization
MRD (4R)-2-methylpentane-2,4-diol 2 2 crystallization
MTX 2 2 biological
BGC 2 2 crystallization
DRG 2 2 crystallization
NAJ nicotinamide-adenine-dinucleotide (acidic form) 2 1 biological
NAP 2 2 other
DSZ 5'-o-(l-alpha-aspartylsulfamoyl)adenosine 2 2 biological
5GP guanosine-5'-monophosphate 2 2 biological
176 2 2 biological
NHE 2-[n-cyclohexylamino]ethane sulfonic acid 2 1 crystallization
NI 2 2 biological
NO3 nitrate ion 2 2 crystallization
NXP n-{4-[(1e)-n-carbamimidoylethanehydrazonoyl]phenyl}-1h-indole-3-carboxamide 2 1 crystallization
EPE 2 2 biological
OXP 2-oxo-3-pentenoic acid 2 2 biological
P18 2 2 biological
EPU uridine-diphosphate-2(n-acetylglucosaminyl) butyric aci d 2 2 biological
P1T 2 1 biological
P2H 2 2 biological
15P 2 1 crystallization
P3G 3,6,9,12,15-pentaoxaheptadecane 2 2 other
225 2 1 crystallization
PCA pyroglutamic acid 2 1 modified residue
PG4 2 2 biological
PG4 2 2 other
6JZ 3,6,9,12,15-pentaoxaheptadecane 2 2 other
PGE 2 2 other
ATP adenosine-5'-triphosphate 2 1 other
PRF 7-deaza-7-aminomethyl-guanine 2 1 biological
PXP pyroxidine-5'-phosphate 2 2 biological
2D8 2 2 crystallization
GOA glycolic acid 2 2 crystallization
GOL glycerol 2 2 biological
SBT 2-butanol 2 2 crystallization
SCN thiocyanate ion 2 2 crystallization
ADN adenosine 2 2 biological
GPJ glyphosate 2 2 biological
SIN succinic acid 2 2 other
SIS sisomicin 2 2 biological
SKM 2 2 biological
AE3 2-(2-ethoxyethoxy)ethanol 2 2 other
79V 2 1 crystallization
CP carbamoyl phosphate 2 1 biological
SUC 2 2 other
3DS (4s,5r)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid 2 1 biological
THM thymidine 2 2 biological
TOY tobramycin 2 2 biological
CS 2 1 crystallization
TPP thiamine diphosphate 2 1 other
TRS TRIS BUFFER 2 2 other
TTN tartronate 2 2 crystallization
UNK unknown 2 2 modified residue
UNL 2 1 biological
CSO S-HYDROXYCYSTEINE 2 2 biological
CSO S-HYDROXYCYSTEINE 2 2 crystallization
AMP ADENOSINE MONOPHOSPHATE 2 2 crystallization
UVW acetylphosphate 2 2 biological
LIG 3-pyridin-4-yl-2,4-dihydro-indeno[1,2-.c.]pyrazole 2 2 biological
LLL 2 2 biological
Z11 2 2 biological
LMR (2s)-2-hydroxybutanedioic acid 2 1 other
CXS 3-cyclohexyl-1-propylsulfonic acid 2 2 crystallization
SR2 1 1 crystallization
TBK unknown 1 1 biological
TDP thiamin diphosphate 1 1 biological
TES testosterone 1 1 biological
TMN 1 1 biological
TMN 1 1 crystallization
TMP thymidine-5'-phosphate 1 1 biological
TPO phosphothreonine 1 1 modified residue
TPP thiamine diphosphate 1 1 biological
TYD thymidine-5'-diphosphate 1 1 biological
U5P uridine-5'-monophosphate 1 1 biological
UD1 uridine-diphosphate-n-acetylglucosamine 1 1 biological
UNL 1 1 crystallization
UNM 7-[(cis-4-aminocyclohexyl)amino]-5-bromo-1-benzofuran-2-carboxylic acid 1 1 biological
UNX UNKNOWN ATOM 1 1 biological
UNX UNKNOWN ATOM 1 1 crystallization
URA uracil 1 1 other
URE urea 1 1 crystallization
URI uridine 1 1 biological
VCA 1 1 biological
XMX 1 1 crystallization
XPE 3,6,9,12,15,18,21,24,27-nonaoxanonacosane-1,29-diol 1 1 crystallization
Z32 unknown 1 1 biological
ZD2 (2s)-4-(6-amino-9h-purin-9-yl)-2-hydroxybutanoic acid 1 1 biological
ZIT 1 1 biological
ZIT 1 1 crystallization
Zn 1 1 biological
KAN 1 1 crystallization
0JN 1-tert-butyl-3-(naphthalen-1-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine 1 1 crystallization
0TO 1 1 crystallization
131 1 1 biological
13P 1,3-dihydroxyacetonephosphate 1 1 biological
13P 1,3-dihydroxyacetonephosphate 1 1 other
16G n-acetyl-d-glucosamine-6-phosphate 1 1 biological
176 1 1 crystallization
178 1 1 biological
178 1 1 crystallization
221 1 1 biological
221 1 1 crystallization
225 1 1 biological
30N (3r,5s,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-tr ihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-11,15-di aza-3,5-diphosphaheptadecane-17-sulfinic acid 3,5-dioxi de (non-preferred name) 1 1 biological
3D1 (2r,3s,5r)-5-(6-amino-9h-purin-9-yl)-tetrahydro-2-(hydr oxymethyl)furan-3-ol 1 1 biological
3GR glyceraldehyde 1 1 other
537 2,6-dihydroanthra/1,9-cd/pyrazol-6-one 1 1 crystallization
5WP 1 1 biological
5WQ 1 1 biological
649 5'-o-[(11-phenoxyundecanoyl)sulfamoyl]adenosine 1 1 biological
6L0 1 1 biological
6PC 1 1 biological
6PG 6-phosphogluconic acid 1 1 biological
7CY (1r,2s,3r,5r)-3-(6-amino-9h-purin-9-yl)-5-(hydroxymethy l)cyclopentane-1,2-diol 1 1 biological
7PE 2-(2-(2-(2-(2-(2-ethoxyethoxy)ethoxy)ethoxy)ethoxy)etho xy)ethanol 1 1 crystallization
8MM 1 1 biological
9DA 9-deazaadenine 1 1 biological
9MG 9-methylguanine 1 1 crystallization
A5A '5'-o-(n-(l-alanyl)-sulfamoyl)adenosine 1 1 biological
A5P arabinose-5-phosphate 1 1 biological
ACT 1 1 modified residue
ACX alpha-cyclodextrin (cyclohexa-amylose) 1 1 other
ADE adenine 1 1 biological
ADP 1 1 crystallization
AKG 2-oxyglutaric acid 1 1 biological
ALY 1 1 modified residue
AM2 1 1 biological
AXP 4-acetamido-2,4-didexoy-d-glycero-beta-d-galacto-octopy ranosylphosphonic acid (an axial phosphonate) 1 1 biological
BO3 1 1 crystallization
bpa unknown 1 1 crystallization
BTB 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol 1 1 other
BU1 1 1 other
CAC cacodylate ion 1 1 crystallization
CEA 1 1 modified residue
CEX alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranos yl-(1->4)-alpha-d-glucopyranose 1 1 biological
CIR citrulline 1 1 biological
CIT 1 1 biological
CIT 1 1 other
CL CHLORIDE ION 1 1 biological
CL CHLORIDE ION 1 1 modified residue
CME 1 1 crystallization
CMP adenosine-3',5'-cyclic-monophosphate 1 1 biological
CO3 carbonate ion 1 1 crystallization
CO8 octanoyl-coenzyme a 1 1 biological
COA coenzyme A 1 1 crystallization
COA coenzyme A 1 1 other
COD dephospho coenzyme a 1 1 other
CPS 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfona te 1 1 crystallization
CRY propane-1,2,3-triol 1 1 other
CSA 1 1 modified residue
CTO triacetylchitotriose 1 1 biological
CTP cytidine-5'-phosphate 1 1 other
CTS castanospermine 1 1 biological
CU 1 1 biological
CYT 6-aminopyrimidin-2(1h)-one 1 1 other
D67 1 1 biological
DAL 1 1 biological
DAL 1 1 crystallization
DAU 2'deoxy-thymidine-5'-diphospho-alpha-d-glucose 1 1 biological
DCF 2'-deoxycoformycin 1 1 crystallization
DEA d-eritadenine 1 1 biological
DGL d-glutamic acid 1 1 biological
DKA 1 1 biological
DME decamethonium ion 1 1 crystallization
DTT 2,3-dihydroxy-1,4-dithiobutane 1 1 crystallization
EDO ETHYLENE GLYCOL 1 1 biological
EDS 1 1 biological
EMM [methyl(vinyl)amino]methanol 1 1 crystallization
ETD ethenylene group 1 1 biological
ETS (4s-trans)-4-(ethylamino)-5,6-dihydro-6-methyl-4h-thien o(2,3-b)thiopyran-2-sulfonamide-7,7-dioxide 1 1 biological
F unknown 1 1 crystallization
F6P fructose-6-phosphate 1 1 biological
F6P fructose-6-phosphate 1 1 other
F6R fructose -6-phosphate 1 1 biological
FAD 1 1 other
FCN fosfomycin 1 1 biological
FCN fosfomycin 1 1 crystallization
FE 1 1 biological
FE 1 1 other
FFQ [(1r)-1-hydroxypropyl]phosphonic acid 1 1 biological
FLC citrate anion 1 1 biological
FLC citrate anion 1 1 crystallization
FLC citrate anion 1 1 other
FUM fumaric acid 1 1 crystallization
G36 o6-ethyl-2'-deoxyguanosine-5'-monophosphate 1 1 biological
G6Q glucose-6-phosphate 1 1 biological
GDP GUANOSINE-5''-DIPHOSPHATE 1 1 other
GG5 4-[3-(4-fluorophenyl)-1h-pyrazol-4-yl]pyridine 1 1 crystallization
GLT 1 1 biological
GP1 glucosamine 1-phosphate 1 1 biological
GPE l-alpha-glycerophosphorylethanolamine 1 1 biological
GTT glutathione 1 1 biological
GUN guanine 1 1 biological
GUN guanine 1 1 crystallization
H01 protoporphyrin ix 2,4-disulfonic acid 1 1 biological
H01 protoporphyrin ix 2,4-disulfonic acid 1 1 other
HEZ hexane-1,6-diol 1 1 crystallization
HGA glutamine hydroxamate 1 1 biological
I22 d-altro-hept-2-ulose 7-phosphate 1 1 biological
IHP inositol hexakisphosphate 1 1 biological
IPA 1 1 other
IYR 3-iodo-tyrosine 1 1 modified residue
0J9 1-tert-butyl-3-(naphthalen-1-yl)-1h-pyrazolo[3,4-d]pyri midin-4-amine 1 1 crystallization
KHL 1 1 biological
KP3 1 1 biological
LI lithium ion 1 1 crystallization
LI lithium ion 1 1 other
LLP 1 1 biological
LMR (2s)-2-hydroxybutanedioic acid 1 1 biological
LMR (2s)-2-hydroxybutanedioic acid 1 1 crystallization
LMT dodecyl-beta-d-maltoside 1 1 crystallization
LN0 1 1 biological
LTR l-tryptophan 1 1 biological
MCL nz-(1-carboxyethyl)-lysine 1 1 biological
MLA 1 1 other
MLC 1 1 crystallization
MLI 1 1 other
MLZ n-methyl-lysine 1 1 crystallization
MN unknown 1 1 crystallization
MN unknown 1 1 other
MSO selenomethionine selenoxide 1 1 modified residue
MTX 1 1 crystallization
MWL 1 1 crystallization
N09 unknown 1 1 biological
NAE nicotinamide adenine dinucleotide acetone adduct 1 1 other
NAG n-acetyl-d-glucosamine 1 1 biological
NAX beta-6-hydroxy-1,4,5,6-tetrhydronicotinamide adenine di nucleotide 1 1 biological
NBO 1 1 biological
NDB Dimethyl(2 hydroxyethyl)ammonium propane sulfonate 1 1 crystallization
NEP n1-phosphonohistidine 1 1 modified residue
NEU l-neopterin 1 1 biological
Ni unknown 1 1 biological
NO2 nitrite ion 1 1 crystallization
NVA norvaline 1 1 crystallization
OAA oxaloacetate ion 1 1 biological
OCA octanoic acid (caprylic acid) 1 1 biological
OCS cysteinesulfonic acid 1 1 other
OPE 1 1 biological
P18 1 1 crystallization
P2H 1 1 crystallization
P3G 3,6,9,12,15-pentaoxaheptadecane 1 1 crystallization
P41 1 1 biological
P5G PEG 1 1 crystallization
P68 unknown 1 1 biological
PAF pantoate 1 1 biological
PCA pyroglutamic acid 1 1 crystallization
PE5 3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol 1 1 crystallization
PE8 3,6,9,12,15,18,21-heptaoxatricosane-1,23-diol 1 1 crystallization
PEG polyethylene glycol 1 1 biological
PEP phosphoenolpyruvate 1 1 biological
PG5 1 1 other
PG6 1-(2-methoxy-ethoxy)-2-{2-[2-(2-methoxy-ethoxy]-ethoxy}-ethane 1 1 other
PGE 1 1 biological
PLP pyridoxal-5'-phosphate 1 1 other
PP1 1-ter-butyl-3-p-tolyl-1h-pyrazolo[3,4-d]pyrimidin-4-yla mine 1 1 crystallization
PP2 1-tert-butyl-3-(4-chloro-phenyl)-1h-pyrazolo[3,4-d]pyri midin-4-ylamine 1 1 crystallization
PRP 1 1 biological
PTA [(1-amino-3-methyl-butyl)-hydroxy-phosphinoyl]-acetic a cid 1 1 crystallization
PTW 1,3,5-triaza-7-phosphatricyclo[3.3.1.1~3,7~]decane 1 1 biological
PXG 3-[o-phosphonopyridoxyl]--amino-benzoic acid 1 1 biological
PYR pyruvic acid 1 1 biological
PYR pyruvic acid 1 1 other
Q67 1 1 biological
QIC (1s,3r,4s,5r)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid 1 1 biological
QUE 3,5,7,3',4'-pentahydroxyflavone 1 1 crystallization
R5P ribose-5-phosphate 1 1 biological
RBF riboflavine 1 1 crystallization
RFP 1 1 biological
RI2 1,5-di-o-phosphono-alpha-d-ribofuranose 1 1 biological
RP5 ribose-5-phosphate, pyranose form 1 1 biological
SAH s-adenosyl-l-homocysteine 1 1 modified residue
SAM s-adenosylmethionine 1 1 biological
SAM s-adenosylmethionine 1 1 crystallization
SCY s-acetyl-cysteine 1 1 modified residue
SEE trihydroxy(l-serinato-kappao~3~)borate(1-) 1 1 modified residue
SEP phosphoserine 1 1 biological
SEP phosphoserine 1 1 other
SHL modified comenic acid 1 1 biological
SKM 1 1 other
SOO s-[2-[3-[[(2s)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-bu tanoyl]amino]propanoylamino]ethyl] (e)-oct-2-enethioate 1 1 other
SPM spermine 1 1 biological
SR1 1 1 biological