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
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9KXC
 | | Crystal structure of the PIN1 and fragment 36 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: | 2024-12-06 | | Release date: | 2025-10-08 | | Last modified: | 2025-10-15 | | 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
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9KXP
 | | Crystal structure of the PIN1 and fragment 33 complex. | | Descriptor: | (2,4-dimethyl-1,3-thiazol-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: | 2024-12-07 | | Release date: | 2025-10-08 | | Last modified: | 2025-10-15 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
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9KXE
 | | Crystal structure of the PIN1 and fragment 38 complex. | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 4-methylthiophene-2-carboxamide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | | Authors: | Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M. | | Deposit date: | 2024-12-06 | | Release date: | 2025-10-08 | | Last modified: | 2025-10-15 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
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9KX7
 | | Crystal structure of the PIN1 and fragment 34 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: | 2024-12-06 | | Release date: | 2025-10-08 | | Last modified: | 2025-10-15 | | 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
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9KX9
 | | Crystal structure of the PIN1 and fragment 35 complex. | | Descriptor: | (1-methylindazol-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: | 2024-12-06 | | Release date: | 2025-10-08 | | Last modified: | 2025-10-15 | | 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
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9KXF
 | | Crystal structure of the PIN1 and fragment 39 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: | 2024-12-06 | | Release date: | 2025-10-08 | | Last modified: | 2025-10-15 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
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9KXG
 | | Crystal structure of the PIN1 and fragment 41 complex. | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | | Authors: | Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M. | | Deposit date: | 2024-12-06 | | Release date: | 2025-10-08 | | Last modified: | 2025-10-15 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
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9KXO
 | | Crystal structure of the PIN1 and fragment 21 complex. | | Descriptor: | 2-[methyl(pyridin-2-yl)amino]ethan-1-ol, 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: | 2024-12-07 | | Release date: | 2025-10-08 | | Last modified: | 2025-10-15 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
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9KXD
 | | Crystal structure of the PIN1 and fragment 37 complex. | | Descriptor: | 2,3-dihydro-1,4-benzodioxine-5-carboxylic 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: | 2024-12-06 | | Release date: | 2025-10-08 | | Last modified: | 2025-10-15 | | 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
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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
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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
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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
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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
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9KEY
 | | Crystal structure of the PIN1 and fragment 30 complex. | | Descriptor: | 2,1,3-benzothiadiazol-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 (2.49 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
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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
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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
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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
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9KXI
 | | Crystal structure of the PIN1 and fragment 31 complex. | | Descriptor: | 2-(2-methylimidazol-1-yl)aniline, 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: | 2024-12-06 | | Release date: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
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9KXJ
 | | Crystal structure of the PIN1 and fragment 53 complex | | Descriptor: | (3S,11R)-tetracyclo[6.3.0.02,6.05,9]undecane-3,11-diol, 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: | 2024-12-06 | | Release date: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
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9KXN
 | | Crystal structure of the PIN1 and fragment 58 complex. | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 5-methyl-1,2-oxazole-3-carbohydrazide, CHLORIDE ION, ... | | Authors: | Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M. | | Deposit date: | 2024-12-06 | | Release date: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
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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
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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
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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
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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
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