4CKR
| Crystal structure of the human DDR1 kinase domain in complex with DDR1-IN-1 | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-ethylpiperazin-1-yl)methyl]-n-{4-methyl-3-[(2-oxo-2,3-dihydro-1h-indol-5-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide, EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1 | Authors: | Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Krojer, T, Newman, J.A, Dixon-Clarke, S, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2014-01-07 | Release date: | 2014-01-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of a Potent and Selective Ddr1 Receptor Tyrosine Kinase Inhibitor. Acs Chem.Biol., 8, 2013
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2MSY
| Solution structure of Hox homeodomain | Descriptor: | Homeobox protein Hox-C9 | Authors: | Kim, H, Park, S, Han, J, Lee, B. | Deposit date: | 2014-08-11 | Release date: | 2015-09-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural insight into the interaction between the Hox and HMGB1 and understanding of the HMGB1-enhancing effect of Hox-DNA binding. Biochim.Biophys.Acta, 1854, 2015
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3OUH
| PHD2-R127 with JNJ41536014 | Descriptor: | 1-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazole-4-carboxylic acid, Egl nine homolog 1, FE (II) ION, ... | Authors: | Kim, H, Clark, R. | Deposit date: | 2010-09-14 | Release date: | 2010-12-01 | Last modified: | 2018-04-18 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Benzimidazole-2-pyrazole HIF Prolyl 4-Hydroxylase Inhibitors as Oral Erythropoietin Secretagogues. ACS Med Chem Lett, 1, 2010
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8HEJ
| Crystal structure of Transthyretin in complex with a covalent inhibitor trans-styrylpyrazole | Descriptor: | 2,4,6-trifluorobenzaldehyde, 2,6-dibromo-4-[(E)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethenyl]phenol, Transthyretin | Authors: | Kim, H, Choi, S, Lee, C. | Deposit date: | 2022-11-08 | Release date: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Crystal structure of Transthyretin in complex with a covalent inhibitor trans-styrylpyrazole To Be Published
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4UIP
| The complex structure of extracellular domain of EGFR with Repebody (rAC1). | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, EPIDERMAL GROWTH FACTOR RECEPTOR, ... | Authors: | Kang, Y.J, Cha, Y.J, Cho, H.S, Lee, J.J, Kim, H.S. | Deposit date: | 2015-03-31 | Release date: | 2015-11-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Enzymatic Prenylation and Oxime Ligation for the Synthesis of Stable and Homogeneous Protein-Drug Conjugates for Targeted Therapy. Angew.Chem.Int.Ed.Engl., 54, 2015
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8X9G
| Crystal structure of CO dehydrogenase mutant in complex with BV | Descriptor: | 1-(phenylmethyl)-4-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium, Carbon monoxide dehydrogenase 2, FE(4)-NI(1)-S(4) CLUSTER, ... | Authors: | Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y. | Deposit date: | 2023-11-30 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity. Nat Commun, 15, 2024
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8X9D
| Crystal structure of CO dehydrogenase mutant with increased affinity for electron mediators in high PEG concentration | Descriptor: | Carbon monoxide dehydrogenase 2, FE (III) ION, FE(4)-NI(1)-S(4) CLUSTER, ... | Authors: | Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y. | Deposit date: | 2023-11-30 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity. Nat Commun, 15, 2024
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8X9H
| Crystal structure of CO dehydrogenase mutant (F41C) | Descriptor: | Carbon monoxide dehydrogenase 2, FE (III) ION, FE(4)-NI(1)-S(4) CLUSTER, ... | Authors: | Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y. | Deposit date: | 2023-11-30 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity. Nat Commun, 15, 2024
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8X9E
| Crystal structure of CO dehydrogenase mutant with increased affinity for electron mediators in low PEG concentration | Descriptor: | 1,2-ETHANEDIOL, Carbon monoxide dehydrogenase 2, FE (III) ION, ... | Authors: | Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y. | Deposit date: | 2023-11-30 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity. Nat Commun, 15, 2024
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8X9F
| Crystal structure of CO dehydrogenase mutant in complex with EV | Descriptor: | 1,2-ETHANEDIOL, 1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium, Carbon monoxide dehydrogenase 2, ... | Authors: | Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y. | Deposit date: | 2023-11-30 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity. Nat Commun, 15, 2024
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7P80
| Crystal structure of ClpP from Bacillus subtilis in complex with ADEP2 (compressed state) | Descriptor: | ADEP2, ATP-dependent Clp protease proteolytic subunit | Authors: | Lee, B.-G, Kim, L, Kim, M.K, Kwon, D.H, Song, H.K. | Deposit date: | 2021-07-21 | Release date: | 2022-06-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Structural insights into ClpP protease side exit pore-opening by a pH drop coupled with substrate hydrolysis. Embo J., 41, 2022
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7P81
| Crystal structure of ClpP from Bacillus subtilis in complex with ADEP2 (compact state) | Descriptor: | ADEP2, ATP-dependent Clp protease proteolytic subunit | Authors: | Lee, B.-G, Kim, L, Kim, M.K, Kwon, D.H, Song, H.K. | Deposit date: | 2021-07-21 | Release date: | 2022-06-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structural insights into ClpP protease side exit pore-opening by a pH drop coupled with substrate hydrolysis. Embo J., 41, 2022
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7CHT
| Crystal structure of TTK kinase domain in complex with compound 30 | Descriptor: | 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK, MAGNESIUM ION | Authors: | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Ko, E.H, Choi, H.G, Son, J.B, Kim, N.D. | Deposit date: | 2020-07-06 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
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7CHM
| Crystal structure of TTK kinase domain in complex with compound 8 | Descriptor: | 4-(cyclohexylamino)-2-[(2-methoxy-4-morpholin-4-ylcarbonyl-phenyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | Authors: | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | Deposit date: | 2020-07-06 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
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7CHN
| Crystal structure of TTK kinase domain in complex with compound 9 | Descriptor: | 4-(cyclohexylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | Authors: | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | Deposit date: | 2020-07-06 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
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7CLH
| Crystal structure of TTK kinase domain in complex with compound 19 | Descriptor: | 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | Authors: | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | Deposit date: | 2020-07-21 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
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7CJA
| Crystal structure of TTK kinase domain in complex with compound 28 | Descriptor: | 4-(cyclopentylmethylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | Authors: | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | Deposit date: | 2020-07-09 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
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7CIL
| Crystal structure of TTK kinase domain in complex with compound 7 | Descriptor: | 4-(cyclohexylamino)-2-[(1-methylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | Authors: | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | Deposit date: | 2020-07-07 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
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6IWD
| The PTP domain of human PTPN14 in a complex with the CR3 domain of HPV18 E7 | Descriptor: | CHLORIDE ION, HPV18 E7, PHOSPHATE ION, ... | Authors: | Yun, H.-Y, Kim, S.J, Ku, B. | Deposit date: | 2018-12-05 | Release date: | 2019-07-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for recognition of the tumor suppressor protein PTPN14 by the oncoprotein E7 of human papillomavirus. Plos Biol., 17, 2019
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8IVU
| Crystal Structure of Human NAMPT in complex with A4276 | Descriptor: | N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | Authors: | Kang, B.G, Cha, S.S. | Deposit date: | 2023-03-28 | Release date: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.09000921 Å) | Cite: | Discovery of a novel NAMPT inhibitor that selectively targets NAPRT-deficient EMT-subtype cancer cells and alleviates chemotherapy-induced peripheral neuropathy. Theranostics, 13, 2023
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5K19
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5K1A
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5K1C
| Crystal structure of the UAF1/WDR20/USP12 complex | Descriptor: | PHOSPHATE ION, TRIS(HYDROXYETHYL)AMINOMETHANE, Ubiquitin carboxyl-terminal hydrolase 12, ... | Authors: | Li, H, D'Andrea, A.D, Zheng, N. | Deposit date: | 2016-05-18 | Release date: | 2016-07-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Allosteric Activation of Ubiquitin-Specific Proteases by beta-Propeller Proteins UAF1 and WDR20. Mol.Cell, 63, 2016
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5K16
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5K1B
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