9JXQ
 
 | | Complex of XPR1-KIDINS220 | | Descriptor: | Kinase D-interacting substrate of 220 kDa, Solute carrier family 53 member 1 | | Authors: | Wang, X, Bai, Z, Wallis, C, Wang, H, Han, Y, Jin, R, Lei, M, Gu, C, Jessen, H, Shears, S, Sun, Y, Corry, B, Zhang, Y. | | Deposit date: | 2024-10-11 | | Release date: | 2025-08-27 | | Method: | ELECTRON MICROSCOPY (3.44 Å) | | Cite: | Cryo-EM structure of human XPR1 in apo state
Mol.Cell, 2025
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9JXR
 | | Cryo-EM structure of Drosophila melanogaster PXo-G604A | | Descriptor: | Solute carrier family 53 member 1 | | Authors: | Wang, X, Bai, Z, Wallis, C, Wang, H, Han, Y, Jin, R, Lei, M, Gu, C, Jessen, H, Shears, S, Sun, Y, Corry, B, Zhang, Y. | | Deposit date: | 2024-10-11 | | Release date: | 2025-08-27 | | Method: | ELECTRON MICROSCOPY (3.53 Å) | | Cite: | Cryo-EM structure of human XPR1 in apo state
Mol.Cell, 2025
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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
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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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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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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
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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
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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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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
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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
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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
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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
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9JZS
 | | Crystal structure of the PIN1 and fragment 13 complex. | | Descriptor: | (2S)-2,3-dihydro-1H-indole-2-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: | 2024-10-14 | | Release date: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
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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
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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
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9K07
 | | Cryo-EM structure of the DSO-5a-bound human BRS3-Gq complex | | Descriptor: | Bombesin receptor subtype-3,Oplophorus-luciferin 2-monooxygenase catalytic subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Li, J, Li, C, Zhou, Q, Han, W, Fang, M, Xu, Y, Mai, Y, Cui, J, Xu, H, Zhang, Y, Yin, W, Wang, M. | | Deposit date: | 2024-10-15 | | Release date: | 2025-08-27 | | Method: | ELECTRON MICROSCOPY (2.83 Å) | | Cite: | Divergent activation patterns of BRS3 revealed by two Chinese herb-derived agonists
Acta Pharm Sin B, 2025
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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
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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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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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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
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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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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
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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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