9V92
 
 | | Crystal structure of the Pin1 and Frag61 complex | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | | Authors: | Xiao, Q.J. | | Deposit date: | 2025-05-30 | | Release date: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
|
|
9JYR
 | | Crystal structure of the PIN1 and fragment 4 complex | | Descriptor: | 1H-indol-4-ylmethanol, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | | Authors: | Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M. | | Deposit date: | 2024-10-12 | | Release date: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
|
|
9JZ2
 | | Crystal structure of the PIN1 and fragment 7 complex. | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CHLORIDE ION, N-(5-azanyl-2-methyl-phenyl)ethanamide, ... | | Authors: | Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M. | | Deposit date: | 2024-10-13 | | Release date: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
|
|
9JZ3
 | | Crystal structure of the PIN1 and fragment 8 complex. | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 3H-benzimidazol-5-ylmethanol, CHLORIDE ION, ... | | Authors: | Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M. | | Deposit date: | 2024-10-13 | | Release date: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
|
|
9KES
 | | Crystal structure of the PIN1 and fragment 28 complex. | | Descriptor: | (3-pyrimidin-5-ylphenyl)methanol, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | | Authors: | Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M. | | Deposit date: | 2024-11-05 | | Release date: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
|
|
9JZ4
 | | Crystal structure of the PIN1 and fragment 9 complex. | | Descriptor: | 1,3-dihydro-2-benzofuran-5-amine, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | | Authors: | Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M. | | Deposit date: | 2024-10-13 | | Release date: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
|
|
9KEB
 | | Crystal structure of the PIN1 and fragment 24 complex. | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION, ... | | Authors: | Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M. | | Deposit date: | 2024-11-04 | | Release date: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
|
|
9JYO
 | | Crystal structure of the Pin1 and fragment 2 complex. | | Descriptor: | 2-(4-aminophenyl)ethanoic acid, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CHLORIDE ION, ... | | Authors: | Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M. | | Deposit date: | 2024-10-12 | | Release date: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
|
|
9JZG
 | | Crystal structure of the PIN1 and fragment 12 complex. | | Descriptor: | 2-(4-hydroxyphenyl)ethanamide, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | | Authors: | Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M. | | Deposit date: | 2024-10-14 | | Release date: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
|
|
9KE7
 | | Crystal structure of the PIN1 and fragment 23 complex. | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, N-ethyl-4-fluoranyl-benzenesulfonamide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | | Authors: | Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M. | | Deposit date: | 2024-11-04 | | Release date: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
|
|
9JZU
 | | Crystal structure of the PIN1 and fragment 14 complex. | | Descriptor: | 1-(1H-pyrrol-3-yl)ethanone, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | | Authors: | Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M. | | Deposit date: | 2024-10-14 | | Release date: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
|
|
9KF0
 | | Crystal structure of the PIN1 and fragment 32 complex. | | Descriptor: | (2,5-dimethylpyrazol-3-yl)methanol, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | | Authors: | Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M. | | Deposit date: | 2024-11-05 | | Release date: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
|
|
9JYP
 | | Crystal structure of the PIN1 and fragment 3 complex | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 4-oxidanylidene-4-thiophen-2-yl-butanoic acid, CHLORIDE ION, ... | | Authors: | Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M. | | Deposit date: | 2024-10-12 | | Release date: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
|
|
9JZV
 | | Crystal structure of the PIN1 and fragment 15 complex. | | Descriptor: | 1,3-dimethylimidazolidin-2-one, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CHLORIDE ION, ... | | Authors: | Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M. | | Deposit date: | 2024-10-14 | | Release date: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
|
|
9KEL
 | | Crystal structure of the PIN1 and fragment 26 complex. | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 6-Quinolinylmethanol, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | | Authors: | Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M. | | Deposit date: | 2024-11-05 | | Release date: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
|
|
9KFH
 | | Crystal structure of the PIN1 and fragment 52 complex | | Descriptor: | 2-methylfuran-3-carboxylic acid, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | | Authors: | Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M. | | Deposit date: | 2024-11-06 | | Release date: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
|
|
9KEQ
 | | Crystal structure of the PIN1 and fragment 27 complex. | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 3-(4-methylpiperazin-1-yl)aniline, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | | Authors: | Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M. | | Deposit date: | 2024-11-05 | | Release date: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
|
|
9JZ6
 | | Crystal structure of the PIN1 and fragment 11 complex. | | Descriptor: | 1,3,4-thiadiazol-2-amine, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | | Authors: | Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M. | | Deposit date: | 2024-10-14 | | Release date: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
|
|
9KE9
 | | Crystal structure of the PIN1 and fragment 22 complex. | | Descriptor: | (2H-1,3-benzodioxol-5-yl)methanol, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | | Authors: | Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M. | | Deposit date: | 2024-11-04 | | Release date: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
|
|
9KEW
 | | Crystal structure of the PIN1 and fragment 29 complex. | | Descriptor: | 2,3-dihydro-1-benzofuran-7-ylmethanol, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | | Authors: | Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M. | | Deposit date: | 2024-11-05 | | Release date: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
|
|
9JYV
 | | Crystal structure of the PIN1 and fragment 6 complex. | | Descriptor: | 1-methylpyridin-2-one, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | | Authors: | Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M. | | Deposit date: | 2024-10-12 | | Release date: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
|
|
9KEC
 | | Crystal structure of the PIN1 and fragment 25 complex. | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, N-[(4-fluorophenyl)methyl]-4-oxidanyl-butanamide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | | Authors: | Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M. | | Deposit date: | 2024-11-04 | | Release date: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
|
|
9KEZ
 | | Crystal structure of the PIN1 and fragment 31 complex. | | Descriptor: | 2,3-dihydro-1,4-benzodioxin-5-ylmethanol, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | | Authors: | Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M. | | Deposit date: | 2024-11-05 | | Release date: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
|
|
9KG9
 | | Crystal structure of the PIN1 and fragment 18 complex. | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 3-methoxythiophene-2-carboxylic acid, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | | Authors: | Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M. | | Deposit date: | 2024-11-08 | | Release date: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
|
|
9JYT
 | | Crystal structure of the PIN1 and fragment 1 complex. | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CHLORIDE ION, Idramantone, ... | | Authors: | Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M. | | Deposit date: | 2024-10-12 | | Release date: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
|
|
