8I64
| Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid, Form II | Descriptor: | 1,2-ETHANEDIOL, BARBITURIC ACID, Uracil-DNA glycosylase | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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8I68
| Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Uric acid, Form III | Descriptor: | 1,2-ETHANEDIOL, URIC ACID, Uracil-DNA glycosylase | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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4P69
| Acek (D477A) ICDH complex | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, Isocitrate dehydrogenase [NADP], ... | Authors: | Jimin, Z, Nan, W, Shu, W, Zongchao, J. | Deposit date: | 2014-03-22 | Release date: | 2014-10-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | The phosphatase mechanism of bifunctional kinase/phosphatase AceK. Chem. Commun. (Camb.), 50, 2014
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7E56
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7DRG
| Pseudomonas aeruginosa T6SS protein PA0821 | Descriptor: | PA0821 | Authors: | She, Z. | Deposit date: | 2020-12-28 | Release date: | 2021-06-16 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Pseudomonas aeruginosa PAAR2 cluster encodes a putative VRR-NUC domain-containing effector. Febs J., 288, 2021
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7XUE
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7MSL
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4DS7
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8YKI
| FGFR-1 in complex with ligand tasurgratinib | Descriptor: | CHLORIDE ION, Fibroblast growth factor receptor 1, Tasurgratinib | Authors: | Ikemori-Kawada, M, Watanabe Miyano, S. | Deposit date: | 2024-03-05 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Antitumor Activity of Tasurgratinib as an Orally Available FGFR1-3 Inhibitor in Cholangiocarcinoma Models With FGFR2-fusion. Anticancer Res., 44, 2024
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3ROV
| Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus | Descriptor: | CHLORIDE ION, Insulin, PHENOL, ... | Authors: | Weiss, M.A, Wan, Z.L, Dodson, E.J, Liu, M, Xu, B, Hua, Q.X, Turkenburg, M, Whittingham, J, Nakagawa, S.H, Huang, K, Hu, S.Q, Jia, W.H, Wang, S.H, Brange, J, Whittaker, J, Arvan, P, Katsoyannis, P.G, Dodson, G.G. | Deposit date: | 2011-04-26 | Release date: | 2012-05-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus To be Published
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6K2U
| Crystal structure of Thr66 ADP-ribosylated ubiquitin | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, MAGNESIUM ION, Polyubiquitin-C, ... | Authors: | Wang, X, Zhou, Y, Zhu, Y. | Deposit date: | 2019-05-15 | Release date: | 2020-03-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.554 Å) | Cite: | Threonine ADP-Ribosylation of Ubiquitin by a Bacterial Effector Family Blocks Host Ubiquitination. Mol.Cell, 78, 2020
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3JSD
| Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | Authors: | Weiss, M.A, Wan, Z.L, Dodson, E.J, Liu, M, Xu, B, Hua, Q.X, Turkenburg, M, Whittingham, J, Nakagawa, S.H, Huang, K, Hu, S.Q, Jia, W.H, Wang, S.H, Brange, J, Whittaker, J, Arvan, P, Katsoyannis, P.G, Dodson, G.G. | Deposit date: | 2009-09-10 | Release date: | 2010-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus To be Published
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3P2X
| Insulin fibrillation is the Janus face of induced fit. A chiaral clamp stabilizes the native state at the expense of activity | Descriptor: | CHLORIDE ION, Insulin, PHENOL, ... | Authors: | Hua, Q.X, Wan, Z.L, Huang, K, Hu, S.Q, Phillip, N.F, Jia, W.H, Whittingham, J, Dodson, G.G, Katsoyannis, P.G, Weiss, M.A. | Deposit date: | 2010-10-04 | Release date: | 2011-11-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insulin fibrillation is the Janus face of induced fit. A chiral clamp stabilizes the native state at the expense of activity To be Published
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3P33
| Insulin fibrillation is the Janus face of induced fit. A chiral clamp stabilizes the native state at the expense of activity | Descriptor: | CHLORIDE ION, Insulin, PHENOL, ... | Authors: | Hua, Q.X, Wan, Z.L, Huang, K, Hu, S.Q, Phillip, N.F, Jia, W.H, Whittingham, J, Dodson, G.G, Katsoyannis, P.G, Weiss, M.A. | Deposit date: | 2010-10-04 | Release date: | 2011-11-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Insulin fibrillation is the Janus face of induced fit. A chiral clamp stabilizes the native state at the expense of activity To be Published
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3V19
| Forestalling insulin fibrillation by insertion of a chiral clamp mechanism-based application of protein engineering to global health | Descriptor: | CHLORIDE ION, Insulin, PHENOL, ... | Authors: | Wan, Z.L, Hua, Q.X, Wickramasinghe, N.P, Huang, K, Petkova, A.T, Hu, S.Q, Phillips, N.B, Yeh, I.J, Whittake, J, Ismail-Beigi, F, Katsoyyannis, P.G, Tycko, R, Weiss, M.A. | Deposit date: | 2011-12-09 | Release date: | 2012-12-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Forestalling insulin fibrillation by insertion of a
chiral clamp mechanism-based application of protein engineering to global health To be Published
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3V1G
| Forestalling insulin fibrillation by insertion of a chiral clamp mechanism-based application of protein engineering to global health | Descriptor: | CHLORIDE ION, Insulin, PHENOL, ... | Authors: | Wan, Z.L, Hua, Q.X, Wickramasinghe, N.P, Huang, K, Petkova, A.T, Hu, S.Q, Phillips, N.B, Yeh, I.J, Whittake, J, Ismail-Beigi, F, Katsoyyannis, P.G, Tycko, R, Weiss, M.A. | Deposit date: | 2011-12-09 | Release date: | 2012-12-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Forestalling insulin fibrillation by insertion of a
chiral clamp mechanism-based application of protein engineering to global health To be Published
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4UWY
| FGFR1 Apo structure | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FIBROBLAST GROWTH FACTOR RECEPTOR 1 | Authors: | Thiyagarajan, N, Bunney, T, Katan, M. | Deposit date: | 2014-08-15 | Release date: | 2015-02-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.305 Å) | Cite: | The Effect of Mutations on Drug Sensitivity and Kinase Activity of Fibroblast Growth Factor Receptors: A Combined Experimental and Theoretical Study Ebiomedicine, 2, 2015
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3BXQ
| The structure of a mutant insulin uncouples receptor binding from protein allostery. An electrostatic block to the TR transition | Descriptor: | ZINC ION, insulin A chain, insulin B chain | Authors: | Wan, Z.L, Huang, K, Hu, S.Q, Whittaker, J, Weiss, M.A. | Deposit date: | 2008-01-14 | Release date: | 2008-05-20 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The structure of a mutant insulin uncouples receptor binding from protein allostery. An electrostatic block to the TR transition. J.Biol.Chem., 283, 2008
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1XW7
| Diabetes-Associated Mutations in Human Insulin: Crystal Structure and Photo-Cross-Linking Studies of A-Chain Variant Insulin Wakayama | Descriptor: | CHLORIDE ION, Insulin, PHENOL, ... | Authors: | Wan, Z.L, Huang, K, Xu, B, Chu, Y.C, Hu, S.Q, Katsoyannis, P.G, Weiss, M.A. | Deposit date: | 2004-10-29 | Release date: | 2005-04-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Diabetes-associated mutations in human insulin: crystal structure and photo-cross-linking studies of a-chain variant insulin wakayama Biochemistry, 44, 2005
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6AX1
| Structure of human monoacylglycerol lipase bound to a covalent inhibitor | Descriptor: | 1,1,1,3,3,3-hexafluoropropan-2-yl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate, GLYCEROL, Monoglyceride lipase | Authors: | Pandit, J. | Deposit date: | 2017-09-06 | Release date: | 2017-12-27 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Azetidine and Piperidine Carbamates as Efficient, Covalent Inhibitors of Monoacylglycerol Lipase. J. Med. Chem., 60, 2017
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3L13
| Crystal Structures of Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors | Descriptor: | Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, [3-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]methanol | Authors: | Murray, J.M, Wiesmann, C. | Deposit date: | 2009-12-10 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery of (Thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer. J.Med.Chem., 53, 2010
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3L17
| Discovery of (thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer | Descriptor: | 4-methyl-5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Murray, J.M, Wiesmann, C. | Deposit date: | 2009-12-10 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery of (Thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer. J.Med.Chem., 53, 2010
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3FQ9
| Design of an insulin analog with enhanced receptor-binding selectivity. Rationale, structure, and therapeutic implications | Descriptor: | Insulin, ZINC ION | Authors: | Zhao, M, Wan, Z.L, Whittaker, L, Xu, B, Phillips, N, Katsoyannis, P, Whittaker, J, Weiss, M.A. | Deposit date: | 2009-01-07 | Release date: | 2009-08-04 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Design of an insulin analog with enhanced receptor binding selectivity: rationale, structure, and therapeutic implications. J.Biol.Chem., 284, 2009
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3L16
| Discovery of (thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer | Descriptor: | 5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyridin-2-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Murray, J.M, Wiesmann, C. | Deposit date: | 2009-12-10 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of (Thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer. J.Med.Chem., 53, 2010
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3GKY
| The Structural Basis of an ER Stress-Associated Bottleneck in a Protein Folding Landscape | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | Authors: | Liu, M, Wan, Z.L, Chu, Y.C, Alddin, H, Klaproth, B, Weiss, M.A. | Deposit date: | 2009-03-11 | Release date: | 2009-03-24 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of a "nonfoldable" insulin: IMPAIRED FOLDING EFFICIENCY DESPITE NATIVE ACTIVITY. J.Biol.Chem., 284, 2009
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