Unnamed: 0
int64
1
20.1k
Entry ID
stringlengths
4
8
Experimental Method
stringclasses
4 values
Deposition Date
stringdate
1990-04-02 00:00:00
2025-12-09 00:00:00
Release Date
stringdate
1991-07-15 00:00:00
2026-03-04 00:00:00
Ligand
stringclasses
339 values
Value
float64
0.01
183M
Type
stringclasses
5 values
Unit
stringclasses
2 values
PDB ID
stringlengths
4
8
Total Number of Non-polymer Instances
float64
1
168
Refinement Resolution (Å)
stringclasses
466 values
Structure Determination Methodology
stringclasses
1 value
DOI
stringlengths
12
34
Expression Host
stringclasses
33 values
Source Organism
stringclasses
52 values
Macromolecule Name
stringlengths
3
318
Entity ID
float64
1
16
Ligand ID
stringlengths
2
8
Ligand Name
stringlengths
5
339
Ligand SMILES
stringlengths
4
121
Protein
stringclasses
3 values
Molecular Weight
float64
150
978
2,258
1O9X
X-RAY DIFFRACTION
2002-12-20
2003-03-13
null
null
null
null
1O9X
7
3.2
experimental
10.1186/1472-6807-3-6
Komagataella pastoris
Homo sapiens
SERUM ALBUMIN
1
HEM
PROTOPORPHYRIN IX CONTAINING FE
Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
HSA
616.499
2,259
2XVW
X-RAY DIFFRACTION
2010-10-28
2010-11-10
null
null
null
null
2XVW
8
2.65
experimental
10.1016/J.JSB.2010.10.004
Komagataella pastoris
Homo sapiens
SERUM ALBUMIN
1
MYR
MYRISTIC ACID
CCCCCCCCCCCCCC(=O)O
HSA
228.376
2,260
2XVW
X-RAY DIFFRACTION
2010-10-28
2010-11-10
null
null
null
null
2XVW
8
2.65
experimental
10.1016/J.JSB.2010.10.004
Komagataella pastoris
Homo sapiens
SERUM ALBUMIN
1
9NR
DANSYL-L-ARGININE
CN(C)c1cccc2c1cccc2S(=O)(=O)NC(CCCNC(=N)N)C(=O)O
HSA
407.496
2,262
8EY5
X-RAY DIFFRACTION
2022-10-26
2022-11-09
null
null
null
null
8EY5
14
3.1
experimental
10.1039/D3SC01723K
null
Homo sapiens
Serum albumin
1
MYR
MYRISTIC ACID
CCCCCCCCCCCCCC(=O)O
HSA
228.376
2,263
1HA2
X-RAY DIFFRACTION
2001-03-23
2001-06-20
null
null
null
null
1HA2
7
2.5
experimental
10.1074/JBC.M100575200
Saccharomyces cerevisiae
Homo sapiens
SERUM ALBUMIN
1
MYR
MYRISTIC ACID
CCCCCCCCCCCCCC(=O)O
HSA
228.376
2,264
1HA2
X-RAY DIFFRACTION
2001-03-23
2001-06-20
null
null
null
null
1HA2
7
2.5
experimental
10.1074/JBC.M100575200
Saccharomyces cerevisiae
Homo sapiens
SERUM ALBUMIN
1
SWF
S-WARFARIN
CC(=O)CC(c1ccccc1)C2=C(c3ccccc3OC2=O)O
HSA
308.333
2,270
2XSI
X-RAY DIFFRACTION
2010-10-29
2010-11-10
null
null
null
null
2XSI
8
2.7
experimental
10.1016/J.JSB.2010.10.004
Komagataella pastoris
Homo sapiens
SERUM ALBUMIN
1
MYR
MYRISTIC ACID
CCCCCCCCCCCCCC(=O)O
HSA
228.376
2,271
2XSI
X-RAY DIFFRACTION
2010-10-29
2010-11-10
null
null
null
null
2XSI
8
2.7
experimental
10.1016/J.JSB.2010.10.004
Komagataella pastoris
Homo sapiens
SERUM ALBUMIN
1
9NE
DANSYL-L-GLUTAMATE
CN(C)c1cccc2c1cccc2S(=O)(=O)NC(CCC(=O)O)C(=O)O
HSA
380.422
2,272
2XVV
X-RAY DIFFRACTION
2010-10-28
2010-11-10
null
null
null
null
2XVV
8
2.4
experimental
10.1016/J.JSB.2010.10.004
Komagataella pastoris
Homo sapiens
SERUM ALBUMIN
1
MYR
MYRISTIC ACID
CCCCCCCCCCCCCC(=O)O
HSA
228.376
2,273
2XVV
X-RAY DIFFRACTION
2010-10-28
2010-11-10
null
null
null
null
2XVV
8
2.4
experimental
10.1016/J.JSB.2010.10.004
Komagataella pastoris
Homo sapiens
SERUM ALBUMIN
1
9DN
DANSYL-L-ASPARAGINE
CN(C)c1cccc2c1cccc2S(=O)(=O)NC(CC(=O)N)C(=O)O
HSA
365.411
2,275
8EW7
X-RAY DIFFRACTION
2022-10-21
2022-11-09
null
null
null
null
8EW7
12
3.3
experimental
10.1039/D3SC01723K
null
Homo sapiens
Serum albumin
1
MYR
MYRISTIC ACID
CCCCCCCCCCCCCC(=O)O
HSA
228.376
2,276
9IK7
X-RAY DIFFRACTION
2024-06-26
2025-07-02
null
null
null
null
9IK7
4
1.97
experimental
null
Komagataella pastoris
Homo sapiens
Albumin
1
T44
3,5,3',5'-TETRAIODO-L-THYRONINE
c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N
HSA
776.872
2,277
8YXA
X-RAY DIFFRACTION
2024-04-02
2024-08-07
null
null
null
null
8YXA
7
2.5
experimental
10.1021/acs.jmedchem.4c00983
Komagataella pastoris
Homo sapiens
Serum albumin
1
X56
Cefazolin
Cc1nnc(s1)SCC2=C(N3C(C(C3=O)NC(=O)Cn4cnnn4)SC2)C(=O)O
HSA
454.519
2,278
8YXA
X-RAY DIFFRACTION
2024-04-02
2024-08-07
null
null
null
null
8YXA
7
2.5
experimental
10.1021/acs.jmedchem.4c00983
Komagataella pastoris
Homo sapiens
Serum albumin
1
MYR
MYRISTIC ACID
CCCCCCCCCCCCCC(=O)O
HSA
228.376
2,279
9EOD
X-RAY DIFFRACTION
2024-03-14
2025-03-26
null
null
null
null
9EOD
12
1.9
experimental
null
Escherichia coli
Homo sapiens
Albumin
1
MYR
MYRISTIC ACID
CCCCCCCCCCCCCC(=O)O
HSA
228.376
2,280
9EOD
X-RAY DIFFRACTION
2024-03-14
2025-03-26
null
null
null
null
9EOD
12
1.9
experimental
null
Escherichia coli
Homo sapiens
Albumin
1
A1H6A
adamantane-1-carboxylic acid
C1C2CC3CC1CC(C2)(C3)C(=O)O
HSA
180.247
2,282
9EOD
X-RAY DIFFRACTION
2024-03-14
2025-03-26
null
null
null
null
9EOD
12
1.9
experimental
null
Escherichia coli
Homo sapiens
Albumin
1
PGE
TRIETHYLENE GLYCOL
C(COCCOCCO)O
HSA
150.174
2,283
9JGF
X-RAY DIFFRACTION
2024-09-06
2025-09-10
null
null
null
null
9JGF
26
2.2
experimental
null
Homo sapiens
Homo sapiens
Albumin
1
9JT
N-phenyl-2-selanylbenzamide
c1ccc(cc1)NC(=O)c2ccccc2[SeH]
HSA
276.197
2,284
9JGF
X-RAY DIFFRACTION
2024-09-06
2025-09-10
null
null
null
null
9JGF
26
2.2
experimental
null
Homo sapiens
Homo sapiens
Albumin
1
MYR
MYRISTIC ACID
CCCCCCCCCCCCCC(=O)O
HSA
228.376
2,286
1HK4
X-RAY DIFFRACTION
2003-03-05
2003-05-16
null
null
null
null
1HK4
8
2.4
experimental
10.1073/PNAS.1137188100
Saccharomyces cerevisiae
Homo sapiens
SERUM ALBUMIN
1
MYR
MYRISTIC ACID
CCCCCCCCCCCCCC(=O)O
HSA
228.376
2,287
1HK4
X-RAY DIFFRACTION
2003-03-05
2003-05-16
null
null
null
null
1HK4
8
2.4
experimental
10.1073/PNAS.1137188100
Saccharomyces cerevisiae
Homo sapiens
SERUM ALBUMIN
1
T44
3,5,3',5'-TETRAIODO-L-THYRONINE
c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N
HSA
776.872
2,289
9IK3
X-RAY DIFFRACTION
2024-06-26
2025-07-02
null
null
null
null
9IK3
4
2.31
experimental
null
Komagataella pastoris
Homo sapiens
Albumin
1
T44
3,5,3',5'-TETRAIODO-L-THYRONINE
c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N
HSA
776.872
2,290
7QFE
X-RAY DIFFRACTION
2021-12-05
2022-03-02
null
null
null
null
7QFE
13
2.2
experimental
10.3390/ijms23031769
Komagataella pastoris
Homo sapiens
Serum albumin
1
MYR
MYRISTIC ACID
CCCCCCCCCCCCCC(=O)O
HSA
228.376
2,291
7QFE
X-RAY DIFFRACTION
2021-12-05
2022-03-02
null
null
null
null
7QFE
13
2.2
experimental
10.3390/ijms23031769
Komagataella pastoris
Homo sapiens
Serum albumin
1
4TX
5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid
Cc1ccc(c(c1)OCCCC(C)(C)C(=O)O)C
HSA
250.338
2,292
7QFE
X-RAY DIFFRACTION
2021-12-05
2022-03-02
null
null
null
null
7QFE
13
2.2
experimental
10.3390/ijms23031769
Komagataella pastoris
Homo sapiens
Serum albumin
1
PGE
TRIETHYLENE GLYCOL
C(COCCOCCO)O
HSA
150.174
2,293
7QFE
X-RAY DIFFRACTION
2021-12-05
2022-03-02
null
null
null
null
7QFE
13
2.2
experimental
10.3390/ijms23031769
Komagataella pastoris
Homo sapiens
Serum albumin
1
PG4
TETRAETHYLENE GLYCOL
C(COCCOCCOCCO)O
HSA
194.227
2,296
8ITR
X-RAY DIFFRACTION
2023-03-22
2024-01-31
null
null
null
null
8ITR
6
2.44
experimental
10.1016/j.bpj.2023.09.007
Komagataella pastoris
Homo sapiens
Albumin
1
LPC
[1-MYRISTOYL-GLYCEROL-3-YL]PHOSPHONYLCHOLINE
CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O
HSA
468.592
2,299
8EW4
X-RAY DIFFRACTION
2022-10-21
2022-11-09
null
null
null
null
8EW4
14
2.4
experimental
10.1039/D3SC01723K
null
Homo sapiens
Serum albumin
1
MYR
MYRISTIC ACID
CCCCCCCCCCCCCC(=O)O
HSA
228.376
2,301
8ZPA
X-RAY DIFFRACTION
2024-05-29
2025-03-05
null
null
null
null
8ZPA
6
2.59
experimental
10.1016/j.biomaterials.2024.122792
null
Homo sapiens
Albumin
1
STE
STEARIC ACID
CCCCCCCCCCCCCCCCCC(=O)O
HSA
284.484
2,302
8ZPA
X-RAY DIFFRACTION
2024-05-29
2025-03-05
null
null
null
null
8ZPA
6
2.59
experimental
10.1016/j.biomaterials.2024.122792
null
Homo sapiens
Albumin
1
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
2,304
9IK6
X-RAY DIFFRACTION
2024-06-26
2025-07-02
null
null
null
null
9IK6
3
1.69
experimental
null
Komagataella pastoris
Homo sapiens
Albumin
1
T44
3,5,3',5'-TETRAIODO-L-THYRONINE
c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N
HSA
776.872
2,306
5IFO
X-RAY DIFFRACTION
2016-02-26
2016-06-01
null
null
null
null
5IFO
8
3.2
experimental
10.1021/acs.jmedchem.6b00600
null
Homo sapiens
Serum albumin
1
MYR
MYRISTIC ACID
CCCCCCCCCCCCCC(=O)O
HSA
228.376
2,307
7WZ9
X-RAY DIFFRACTION
2022-02-17
2023-02-22
null
null
null
null
7WZ9
7
2.83
experimental
10.1021/acs.jmedchem.1c01790
Escherichia coli
Homo sapiens
Serum albumin
1
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
2,309
7Z57
X-RAY DIFFRACTION
2022-03-08
2022-10-12
null
null
null
null
7Z57
13
2.2
experimental
10.1021/acs.chemrestox.2c00211
Komagataella pastoris
Homo sapiens
Albumin
1
IGB
(2R)-2,3,3,3-tetrakis(fluoranyl)-2-[1,1,2,2,3,3,3-heptakis(fluoranyl)propoxy]propanoic acid
C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)O
HSA
330.049
2,311
7Z57
X-RAY DIFFRACTION
2022-03-08
2022-10-12
null
null
null
null
7Z57
13
2.2
experimental
10.1021/acs.chemrestox.2c00211
Komagataella pastoris
Homo sapiens
Albumin
1
MYR
MYRISTIC ACID
CCCCCCCCCCCCCC(=O)O
HSA
228.376
2,313
8YG7
X-RAY DIFFRACTION
2024-02-26
2025-03-12
null
null
null
null
8YG7
16
2.09
experimental
null
Escherichia coli
Homo sapiens
Albumin
1
A1D6U
~{N},~{N}-dimethyl-7-propan-2-yl-3-thia-5-aza-1,6-diazonia-2$l^{3}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(12),4,6,8,10-pentaen-4-amine
CC(C)C1=[N+]2N=C(S[Cu]2[n+]3c1cccc3)N(C)C
HSA
312.909
2,314
8YG7
X-RAY DIFFRACTION
2024-02-26
2025-03-12
null
null
null
null
8YG7
16
2.09
experimental
null
Escherichia coli
Homo sapiens
Albumin
1
IMN
INDOMETHACIN
Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O
HSA
357.793
2,315
8YG7
X-RAY DIFFRACTION
2024-02-26
2025-03-12
null
null
null
null
8YG7
16
2.09
experimental
null
Escherichia coli
Homo sapiens
Albumin
1
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
2,316
1YSX
SOLUTION NMR
2005-02-09
2005-06-07
null
null
null
null
1YSX
1
null
experimental
10.1038/nature03579
Escherichia coli BL21(DE3)
Homo sapiens
Serum albumin
1
4EB
4-({2-[(2,4-DIMETHYLPHENYL)SULFANYL]ETHYL}AMINO)-N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITROBENZENESULFONAMIDE
Cc1ccc(c(c1)C)SCCNc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)c4ccc(cc4)F
HSA
579.675
2,317
7AAI
X-RAY DIFFRACTION
2020-09-04
2021-02-24
null
null
null
null
7AAI
18
2.1
experimental
10.1002/pro.4036
Komagataella pastoris
Homo sapiens
Albumin
1
8PF
pentadecafluorooctanoic acid
C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
HSA
414.064
2,318
7AAI
X-RAY DIFFRACTION
2020-09-04
2021-02-24
null
null
null
null
7AAI
18
2.1
experimental
10.1002/pro.4036
Komagataella pastoris
Homo sapiens
Albumin
1
MPO
3[N-MORPHOLINO]PROPANE SULFONIC ACID
C1COCCN1CCCS(=O)(=O)O
HSA
209.267
2,319
7AAI
X-RAY DIFFRACTION
2020-09-04
2021-02-24
null
null
null
null
7AAI
18
2.1
experimental
10.1002/pro.4036
Komagataella pastoris
Homo sapiens
Albumin
1
PGE
TRIETHYLENE GLYCOL
C(COCCOCCO)O
HSA
150.174
2,320
7AAI
X-RAY DIFFRACTION
2020-09-04
2021-02-24
null
null
null
null
7AAI
18
2.1
experimental
10.1002/pro.4036
Komagataella pastoris
Homo sapiens
Albumin
1
PG4
TETRAETHYLENE GLYCOL
C(COCCOCCOCCO)O
HSA
194.227
2,321
7AAI
X-RAY DIFFRACTION
2020-09-04
2021-02-24
null
null
null
null
7AAI
18
2.1
experimental
10.1002/pro.4036
Komagataella pastoris
Homo sapiens
Albumin
1
MYR
MYRISTIC ACID
CCCCCCCCCCCCCC(=O)O
HSA
228.376
2,324
2BXQ
X-RAY DIFFRACTION
2005-07-26
2005-09-22
IMN
120,000
Kd
nM
2BXQ
9
2.6
experimental
10.1016/J.JMB.2005.07.075
Komagataella pastoris
Homo sapiens
SERUM ALBUMIN
1
MYR
MYRISTIC ACID
CCCCCCCCCCCCCC(=O)O
HSA
228.376
2,327
7WOJ
X-RAY DIFFRACTION
2022-01-21
2022-07-20
null
null
null
null
7WOJ
15
2.89
experimental
10.1016/j.ijbiomac.2022.06.181
Komagataella pastoris
Homo sapiens
Albumin
1
CPT
Cisplatin
[NH3][Pt]([NH3])(Cl)Cl
HSA
300.046
2,328
7WOJ
X-RAY DIFFRACTION
2022-01-21
2022-07-20
null
null
null
null
7WOJ
15
2.89
experimental
10.1016/j.ijbiomac.2022.06.181
Komagataella pastoris
Homo sapiens
Albumin
1
MYR
MYRISTIC ACID
CCCCCCCCCCCCCC(=O)O
HSA
228.376
2,329
8VAC
ELECTRON MICROSCOPY
2023-12-11
2024-06-26
null
null
null
null
8VAC
1
3.4
experimental
10.1016/j.jsb.2024.108105
Homo sapiens
Homo sapiens
Serum albumin
1
9TP
(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-(thiophen-2-ylmethylidene)-beta-D-glucopyranoside
COc1cc(cc(c1O)OC)C2c3cc4c(cc3C(C5C2C(=O)OC5)OC6C(C(C7C(O6)COC(O7)c8cccs8)O)O)OCO4
HSA
656.662
2,331
7DL4
X-RAY DIFFRACTION
2020-11-26
2021-12-01
null
null
null
null
7DL4
22
2.4
experimental
null
Homo sapiens
Homo sapiens
Serum albumin
1
HZQ
5-chloranylquinolin-8-ol
c1cc2c(ccc(c2nc1)O)Cl
HSA
179.606
2,336
7DL4
X-RAY DIFFRACTION
2020-11-26
2021-12-01
null
null
null
null
7DL4
22
2.4
experimental
null
Homo sapiens
Homo sapiens
Serum albumin
1
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
2,339
8CKS
X-RAY DIFFRACTION
2023-02-16
2023-03-01
null
null
null
null
8CKS
14
2.6
experimental
null
null
Homo sapiens
Serum albumin
1
MYR
MYRISTIC ACID
CCCCCCCCCCCCCC(=O)O
HSA
228.376
2,343
8ISM
X-RAY DIFFRACTION
2023-03-21
2024-03-27
null
null
null
null
8ISM
7
2.76
experimental
10.1021/acs.jmedchem.3c00001
Pichia kudriavzevii
Homo sapiens
Serum albumin
1
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
2,344
8ISM
X-RAY DIFFRACTION
2023-03-21
2024-03-27
null
null
null
null
8ISM
7
2.76
experimental
10.1021/acs.jmedchem.3c00001
Pichia kudriavzevii
Homo sapiens
Serum albumin
1
ZJZ
7-(2-azanyl-5-chloranyl-phenyl)-3$l^{3}-thia-5,6$l^{4}-diaza-2$l^{3}-platinatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,6,8,10-pentaen-4-amine
c1ccc2c(c1)C(=[N]3[Pt]2[S]=C(N3)N)c4cc(ccc4N)Cl
HSA
498.876
2,346
7JWN
X-RAY DIFFRACTION
2020-08-25
2020-09-09
9KL
208,000
Ki
nM
7JWN
9
2.6
experimental
10.1107/S2052252522006820
Komagataella pastoris
Homo sapiens
Albumin
1
MYR
MYRISTIC ACID
CCCCCCCCCCCCCC(=O)O
HSA
228.376
2,347
7JWN
X-RAY DIFFRACTION
2020-08-25
2020-09-09
9KL
208,000
Ki
nM
7JWN
9
2.6
experimental
10.1107/S2052252522006820
Komagataella pastoris
Homo sapiens
Albumin
1
9KL
(2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid
CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O
HSA
254.285
2,349
7JWN
X-RAY DIFFRACTION
2020-08-25
2020-09-09
9KL
208,000
Ki
nM
7JWN
9
2.6
experimental
10.1107/S2052252522006820
Komagataella pastoris
Homo sapiens
Albumin
1
JGE
(R)-Ketoprofen
CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O
HSA
254.285
2,350
7Y2D
X-RAY DIFFRACTION
2022-06-09
2023-07-05
null
null
null
null
7Y2D
8
2
experimental
10.1021/acs.jmedchem.2c00698
Escherichia coli
Homo sapiens
Serum albumin
1
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
2,351
7Y2D
X-RAY DIFFRACTION
2022-06-09
2023-07-05
null
null
null
null
7Y2D
8
2
experimental
10.1021/acs.jmedchem.2c00698
Escherichia coli
Homo sapiens
Serum albumin
1
IC4
13-methoxy-~{N},~{N}-dimethyl-2-oxa-4-thia-6,7$l^{4}-diaza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(9),5,7,10,12-pentaen-5-amine
CN(C)C1=N[N+]2=Cc3cccc(c3O[Cu-]2S1)OC
HSA
314.857
2,353
8H0O
X-RAY DIFFRACTION
2022-09-30
2023-10-04
null
null
null
null
8H0O
13
2.479
experimental
null
Homo sapiens
Homo sapiens
Albumin
1
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
2,358
7AAE
X-RAY DIFFRACTION
2020-09-04
2021-02-24
null
null
null
null
7AAE
13
2.27
experimental
10.1002/pro.4036
Komagataella pastoris
Homo sapiens
Albumin
1
MYR
MYRISTIC ACID
CCCCCCCCCCCCCC(=O)O
HSA
228.376
2,362
9CSG
X-RAY DIFFRACTION
2024-07-23
2024-09-04
null
null
null
null
9CSG
7
1.914
experimental
10.1021/acs.jmedchem.4c01277
null
Homo sapiens
Albumin
1
MYR
MYRISTIC ACID
CCCCCCCCCCCCCC(=O)O
HSA
228.376
2,363
9CSG
X-RAY DIFFRACTION
2024-07-23
2024-09-04
null
null
null
null
9CSG
7
1.914
experimental
10.1021/acs.jmedchem.4c01277
null
Homo sapiens
Albumin
1
A1AZR
2-(4-butylbenzene-1-sulfonamido)-5-(4-{3-carboxy-4-[4-(2-methoxyethyl)benzene-1-sulfonamido]anilino}-4-oxobutanamido)benzoic acid
CCCCc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)O)NC(=O)CCC(=O)Nc3ccc(c(c3)C(=O)O)NS(=O)(=O)c4ccc(cc4)CCOC
HSA
780.878
2,365
5OKL
X-RAY DIFFRACTION
2017-07-25
2017-12-06
null
null
null
null
5OKL
5
2.09
experimental
10.1016/j.str.2017.10.006
Spodoptera frugiperda
Homo sapiens
Afamin
1
NAG
2-acetamido-2-deoxy-beta-D-glucopyranose
CC(=O)NC1C(C(C(OC1O)CO)O)O
HSA
221.209
2,366
5OKL
X-RAY DIFFRACTION
2017-07-25
2017-12-06
null
null
null
null
5OKL
5
2.09
experimental
10.1016/j.str.2017.10.006
Spodoptera frugiperda
Homo sapiens
Afamin
1
PAM
PALMITOLEIC ACID
CCCCCCC=CCCCCCCCC(=O)O
HSA
254.414
2,368
7WLF
X-RAY DIFFRACTION
2022-01-13
2023-01-18
null
null
null
null
7WLF
34
2.4
experimental
null
Homo sapiens
Homo sapiens
Serum albumin
1
9IZ
1-pyridin-2-yl-~{N}-(pyridin-2-ylmethyl)-~{N}-[(6-pyridin-2-ylpyridin-2-yl)methyl]methanamine
c1ccnc(c1)CN(Cc2ccccn2)Cc3cccc(n3)c4ccccn4
HSA
367.456
2,370
7WLF
X-RAY DIFFRACTION
2022-01-13
2023-01-18
null
null
null
null
7WLF
34
2.4
experimental
null
Homo sapiens
Homo sapiens
Serum albumin
1
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
2,381
8K1Y
X-RAY DIFFRACTION
2023-07-11
2024-07-17
null
null
null
null
8K1Y
16
2.15
experimental
10.1093/mtomcs/mfae005
Homo sapiens
Homo sapiens
Albumin
1
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
2,384
6RQ7
X-RAY DIFFRACTION
2019-05-15
2019-07-10
null
null
null
null
6RQ7
8
2.69
experimental
10.1107/S2059798319013500
Spodoptera frugiperda
Homo sapiens
Afamin
1
DO3
10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID
CC(CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O)O
HSA
404.464
2,385
6RQ7
X-RAY DIFFRACTION
2019-05-15
2019-07-10
null
null
null
null
6RQ7
8
2.69
experimental
10.1107/S2059798319013500
Spodoptera frugiperda
Homo sapiens
Afamin
1
NAG
2-acetamido-2-deoxy-beta-D-glucopyranose
CC(=O)NC1C(C(C(OC1O)CO)O)O
HSA
221.209
2,386
6RQ7
X-RAY DIFFRACTION
2019-05-15
2019-07-10
null
null
null
null
6RQ7
8
2.69
experimental
10.1107/S2059798319013500
Spodoptera frugiperda
Homo sapiens
Afamin
1
GD
GADOLINIUM ATOM
[Gd]
HSA
157.25
2,395
6FAK
X-RAY DIFFRACTION
2017-12-15
2019-01-02
null
null
null
null
6FAK
18
1.9
experimental
10.1107/S2059798319013500
Spodoptera frugiperda
Homo sapiens
Afamin
1
PGE
TRIETHYLENE GLYCOL
C(COCCOCCO)O
HSA
150.174
2,396
6FAK
X-RAY DIFFRACTION
2017-12-15
2019-01-02
null
null
null
null
6FAK
18
1.9
experimental
10.1107/S2059798319013500
Spodoptera frugiperda
Homo sapiens
Afamin
1
PG4
TETRAETHYLENE GLYCOL
C(COCCOCCOCCO)O
HSA
194.227
2,397
6FAK
X-RAY DIFFRACTION
2017-12-15
2019-01-02
null
null
null
null
6FAK
18
1.9
experimental
10.1107/S2059798319013500
Spodoptera frugiperda
Homo sapiens
Afamin
1
P6G
HEXAETHYLENE GLYCOL
C(COCCOCCOCCOCCOCCO)O
HSA
282.333
2,401
6FAK
X-RAY DIFFRACTION
2017-12-15
2019-01-02
null
null
null
null
6FAK
18
1.9
experimental
10.1107/S2059798319013500
Spodoptera frugiperda
Homo sapiens
Afamin
1
NAG
2-acetamido-2-deoxy-beta-D-glucopyranose
CC(=O)NC1C(C(C(OC1O)CO)O)O
HSA
221.209
2,403
6FAK
X-RAY DIFFRACTION
2017-12-15
2019-01-02
null
null
null
null
6FAK
18
1.9
experimental
10.1107/S2059798319013500
Spodoptera frugiperda
Homo sapiens
Afamin
1
PG6
1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE
COCCOCCOCCOCCOCCOC
HSA
266.334
2,408
8X1N
ELECTRON MICROSCOPY
2023-11-08
2024-05-15
null
null
null
null
8X1N
5
3.31
experimental
10.1038/s42003-024-06219-0
Homo sapiens
Homo sapiens
Alpha-fetoprotein
1
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
2,434
6QIP
X-RAY DIFFRACTION
2019-01-21
2020-02-05
null
null
null
null
6QIP
4
2.45
experimental
10.1021/acs.biochem.0c00019
Komagataella pastoris
Homo sapiens
Serum albumin
1
MES
2-(N-MORPHOLINO)-ETHANESULFONIC ACID
C1COCC[NH+]1CCS(=O)(=O)[O-]
HSA
195.24
2,438
6QIO
X-RAY DIFFRACTION
2019-01-21
2020-02-05
null
null
null
null
6QIO
4
1.95
experimental
10.1021/acs.biochem.0c00019
Komagataella pastoris
Homo sapiens
Serum albumin
1
MES
2-(N-MORPHOLINO)-ETHANESULFONIC ACID
C1COCC[NH+]1CCS(=O)(=O)[O-]
HSA
195.24
2,445
6LUR
X-RAY DIFFRACTION
2020-01-30
2020-04-29
null
null
null
null
6LUR
8
2
experimental
10.1007/s10858-020-00314-0
Escherichia coli
Escherichia coli K-12, Homo sapiens
Thioredoxin 1,Poly(U)-binding-splicing factor PUF60
1
EVU
4-[2-[4-(aminomethyl)phenyl]phenyl]piperazin-2-one
c1ccc(c(c1)c2ccc(cc2)CN)N3CCNC(=O)C3
HSA
281.359
2,447
8GXC
X-RAY DIFFRACTION
2022-09-19
2023-01-18
null
null
null
null
8GXC
18
2.5
experimental
10.1093/nar/gkac1227
Escherichia coli
Homo sapiens
U1 small nuclear ribonucleoprotein A
2
NMN
BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE
c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)(O)O)O)O)C(=O)N
HSA
335.229
2,449
1CVJ
X-RAY DIFFRACTION
1999-08-23
1999-10-04
null
null
null
null
1CVJ
8
2.6
experimental
10.1016/S0092-8674(00)81517-2
Escherichia coli
Homo sapiens
POLYADENYLATE BINDING PROTEIN 1
2
AMP
ADENOSINE MONOPHOSPHATE
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
HSA
347.224
2,453
8GXB
X-RAY DIFFRACTION
2022-09-19
2023-01-18
null
null
null
null
8GXB
21
2.15
experimental
10.1093/nar/gkac1227
Escherichia coli
Homo sapiens
U1 small nuclear ribonucleoprotein A
2
NAD
NICOTINAMIDE-ADENINE-DINUCLEOTIDE
c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
HSA
663.43
2,456
4ZKA
X-RAY DIFFRACTION
2015-04-30
2016-06-29
null
null
null
null
4ZKA
12
1.8
experimental
null
Escherichia coli BL21(DE3)
Homo sapiens
RNA binding protein fox-1 homolog 1
1
MES
2-(N-MORPHOLINO)-ETHANESULFONIC ACID
C1COCC[NH+]1CCS(=O)(=O)[O-]
HSA
195.24
2,457
4ZKA
X-RAY DIFFRACTION
2015-04-30
2016-06-29
null
null
null
null
4ZKA
12
1.8
experimental
null
Escherichia coli BL21(DE3)
Homo sapiens
RNA binding protein fox-1 homolog 1
1
PG4
TETRAETHYLENE GLYCOL
C(COCCOCCOCCO)O
HSA
194.227
2,464
3K0J
X-RAY DIFFRACTION
2009-09-24
2009-12-22
null
null
null
null
3K0J
10
3.1
experimental
10.1261/rna.1847310
null
null
RNA (87-MER)
2
TPP
THIAMINE DIPHOSPHATE
Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)OP(=O)(O)O
HSA
425.32
2,466
7DWH
X-RAY DIFFRACTION
2021-01-17
2021-10-27
null
null
null
null
7DWH
4
3.1
experimental
10.1038/s41929-021-00685-z
null
synthetic construct
RNA (45-MER)
2
SAM
S-ADENOSYLMETHIONINE
C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
HSA
398.445
2,468
2NZ4
X-RAY DIFFRACTION
2006-11-22
2007-01-16
null
null
null
null
2NZ4
20
2.498
experimental
10.1016/j.chembiol.2006.12.005
Escherichia coli BL21
Homo sapiens
U1 Small Nuclear Ribonucleoprotein A
3
GLP
2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose
C(C1C(C(C(C(O1)O)N)O)O)OP(=O)(O)O
HSA
259.151
2,471
3G96
X-RAY DIFFRACTION
2009-02-12
2009-11-03
null
null
null
null
3G96
10
3.01
experimental
10.1021/bi802069p
null
synthetic construct
GLMS RIBOZYME
3
6MN
2-amino-2-deoxy-6-O-phosphono-alpha-D-mannopyranose
C(C1C(C(C(C(O1)O)N)O)O)OP(=O)(O)O
HSA
259.151
2,474
3L3C
X-RAY DIFFRACTION
2009-12-16
2009-12-29
null
null
null
null
3L3C
20
2.85
experimental
10.1021/bi802069p
null
null
GLMS RIBOZYME
3
G6P
6-O-phosphono-alpha-D-glucopyranose
C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O
HSA
260.135
2,477
3G8T
X-RAY DIFFRACTION
2009-02-12
2009-11-03
null
null
null
null
3G8T
14
3
experimental
10.1021/bi802069p
null
synthetic construct
glmS glucosamine-6-phosphate activated ribozyme
3
GLP
2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose
C(C1C(C(C(C(O1)O)N)O)O)OP(=O)(O)O
HSA
259.151
2,485
3G9C
X-RAY DIFFRACTION
2009-02-13
2009-11-03
null
null
null
null
3G9C
4
2.9
experimental
10.1021/bi802069p
null
synthetic construct
GLMS RIBOZYME
3
GLP
2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose
C(C1C(C(C(C(O1)O)N)O)O)OP(=O)(O)O
HSA
259.151
2,495
6SLO
X-RAY DIFFRACTION
2019-08-20
2020-09-09
null
null
null
null
6SLO
4
1.94
experimental
10.1038/s41467-020-19514-1
Escherichia coli BL21(DE3)
Citrobacter freundii MGH 56, Homo sapiens
Thioredoxin,Poly(U)-binding-splicing factor PUF60
1
LJT
2-[4-[3-(8-chloranyl-2,3-dimethoxy-phenothiazin-10-yl)propyl]piperazin-1-yl]ethanol
COc1cc2c(cc1OC)Sc3ccc(cc3N2CCCN4CCN(CC4)CCO)Cl
HSA
464.031
2,497
6LAZ
X-RAY DIFFRACTION
2019-11-13
2020-01-01
null
null
null
null
6LAZ
3
2.76
experimental
10.1038/s41467-019-13600-9
null
Bifidobacterium angulatum
RNA (55-MER)
1
E7X
(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-hydroxyethyl)amino]-2-azaniumyl-butanoate
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCC(C(=O)[O-])[NH3+])CCO)O)O)N
HSA
411.419
2,501
1NU9
X-RAY DIFFRACTION
2003-01-31
2003-10-07
null
null
null
null
1NU9
12
2.2
experimental
10.1038/nature01962
Escherichia coli BL21
Staphylococcus aureus
Staphylocoagulase
2
0ZJ
N-(sulfanylacetyl)-D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide
c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NC(CCCNC(=[NH2+])N)C(CCl)O)NC(=O)CS
HSA
528.099
2,510
8JY0
X-RAY DIFFRACTION
2023-07-02
2024-05-29
null
null
null
null
8JY0
12
2.75
experimental
10.1038/s41467-024-48478-9
in vitro transcription vector pT7-TP(deltai)
artificial sequences
RhoBAST
2
V7U
2,4-dinitroaniline
c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])N
HSA
183.123
2,515
6LAS
X-RAY DIFFRACTION
2019-11-13
2020-01-01
null
null
null
null
6LAS
2
2.708
experimental
10.1038/s41467-019-13600-9
null
Bifidobacterium angulatum
RNA (55-MER)
1
SAM
S-ADENOSYLMETHIONINE
C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
HSA
398.445
2,517
6LAX
X-RAY DIFFRACTION
2019-11-13
2020-01-01
null
null
null
null
6LAX
2
2.7
experimental
10.1038/s41467-019-13600-9
Escherichia coli
Homo sapiens
U1 small nuclear ribonucleoprotein A
2
SAM
S-ADENOSYLMETHIONINE
C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
HSA
398.445
2,519
6LAU
X-RAY DIFFRACTION
2019-11-13
2020-01-01
null
null
null
null
6LAU
4
3.109
experimental
10.1038/s41467-019-13600-9
Escherichia coli
Homo sapiens
U1 small nuclear ribonucleoprotein A
2
GTP
GUANOSINE-5'-TRIPHOSPHATE
c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
HSA
523.181
2,533
2GH0
X-RAY DIFFRACTION
2006-03-24
2006-06-27
null
null
null
null
2GH0
1
1.92
experimental
10.1016/j.str.2006.05.010
Trichoplusia ni
Homo sapiens
artemin
1
NAG
2-acetamido-2-deoxy-beta-D-glucopyranose
CC(=O)NC1C(C(C(OC1O)CO)O)O
HSA
221.209
2,536
3IWN
X-RAY DIFFRACTION
2009-09-02
2009-11-10
null
null
null
null
3IWN
2
3.2
experimental
10.1038/nsmb.1701
Escherichia coli
Homo sapiens
U1 small nuclear ribonucleoprotein A
2
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)
c1nc2c(n1C3C(C4C(O3)COP(=O)(OC5C(COP(=O)(O4)O)OC(C5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N
HSA
690.416