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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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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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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5B4O
 | | Crystal structure of Macrophage Migration Inhibitory Factor in complex with BTZO-14 | | Descriptor: | 1,2-ETHANEDIOL, 2-pyridin-3-yl-1,3-benzothiazin-4-one, Macrophage migration inhibitory factor, ... | | Authors: | Oki, H, Igaki, S, Moriya, Y, Hayano, Y, Habuka, N. | | Deposit date: | 2016-04-07 | | Release date: | 2016-04-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | BTZO-1, a cardioprotective agent, reveals that macrophage migration inhibitory factor regulates ARE-mediated gene expression
Chem. Biol., 17, 2010
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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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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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5Z9H
 | | Crystal structure of KAI2_ply2(A219V) | | Descriptor: | Probable esterase KAI2 | | Authors: | Kim, K.L, Cha, J.S, Soh, M.S, Cho, H.S. | | Deposit date: | 2018-02-03 | | Release date: | 2018-08-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | A missense allele of KARRIKIN-INSENSITIVE2 impairs ligand-binding and downstream signaling in Arabidopsis thaliana.
J. Exp. Bot., 69, 2018
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5ZHW
 | | VanYB in complex with D-Alanine-D-Alanine | | Descriptor: | COPPER (II) ION, D-ALANINE, D-alanyl-D-alanine carboxypeptidase, ... | | Authors: | Kim, H.S, Hahn, H. | | Deposit date: | 2018-03-13 | | Release date: | 2018-09-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Structural basis for the substrate recognition of peptidoglycan pentapeptides by Enterococcus faecalis VanYB.
Int. J. Biol. Macromol., 119, 2018
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5ZRD
 | | Tyrosinase from Burkholderia thailandensis (BtTYR) at low pH condition | | Descriptor: | CITRIC ACID, COPPER (II) ION, GLYCEROL, ... | | Authors: | Lee, S, Son, H.-F, Kim, K.-J. | | Deposit date: | 2018-04-24 | | Release date: | 2018-10-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis for Highly Efficient Production of Catechol Derivatives at Acidic pH by Tyrosinase from Burkholderia thailandensis
Acs Catalysis, 8, 2018
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5ZRE
 | | Tyrosinase from Burkholderia thailandensis (BtTYR) at high pH condition | | Descriptor: | COPPER (II) ION, GLYCEROL, OXYGEN ATOM, ... | | Authors: | Lee, S, Son, H.-F, Kim, K.-J. | | Deposit date: | 2018-04-24 | | Release date: | 2018-10-31 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Basis for Highly Efficient Production of Catechol Derivatives at Acidic pH by Tyrosinase from Burkholderia thailandensis
Acs Catalysis, 8, 2018
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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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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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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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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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5ZXB
 | | Crystal structure of ACK1 with compound 10d | | Descriptor: | Activated CDC42 kinase 1, N-{3-[7-{[6-(4-acetylpiperazin-1-yl)pyridin-3-yl]amino}-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide | | Authors: | Hong, E.M, Kim, H.L, Sim, T.B. | | Deposit date: | 2018-05-18 | | Release date: | 2018-09-26 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.198 Å) | | Cite: | First SAR Study for Overriding NRAS Mutant Driven Acute Myeloid Leukemia.
J. Med. Chem., 61, 2018
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6PWX
 | | Cryo-EM structure of RbBP5 bound to the nucleosome | | Descriptor: | DNA (146-MER), Histone H2A type 1, Histone H2B 1.1, ... | | Authors: | Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U. | | Deposit date: | 2019-07-23 | | Release date: | 2019-12-18 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Cryo-EM structure of the human MLL1 core complex bound to the nucleosome.
Nat Commun, 10, 2019
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6RMH
 | | The Rigid-body refined model of the normal Huntingtin. | | Descriptor: | Huntingtin | | Authors: | Jung, T, Tamo, G, Dal Perraro, M, Hebert, H, Song, J. | | Deposit date: | 2019-05-06 | | Release date: | 2020-06-03 | | Last modified: | 2020-12-16 | | Method: | ELECTRON MICROSCOPY (9.6 Å) | | Cite: | The Polyglutamine Expansion at the N-Terminal of Huntingtin Protein Modulates the Dynamic Configuration and Phosphorylation of the C-Terminal HEAT Domain.
Structure, 28, 2020
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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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6A6A
 | | VanYB in complex with D-Alanine | | Descriptor: | ACETATE ION, D-ALANINE, D-alanyl-D-alanine carboxypeptidase, ... | | Authors: | Kim, H.S, Hahn, H. | | Deposit date: | 2018-06-27 | | Release date: | 2018-09-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structural basis for the substrate recognition of peptidoglycan pentapeptides by Enterococcus faecalis VanYB.
Int. J. Biol. Macromol., 119, 2018
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6KBM
 | | Crystal structure of Vac8 bound to Atg13 | | Descriptor: | Autophagy-related protein 13, Vacuolar protein 8 | | Authors: | Park, J, Lee, C. | | Deposit date: | 2019-06-25 | | Release date: | 2019-11-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.902 Å) | | Cite: | Quaternary structures of Vac8 differentially regulate the Cvt and PMN pathways.
Autophagy, 16, 2020
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6PWV
 | | Cryo-EM structure of MLL1 core complex bound to the nucleosome | | Descriptor: | DNA (147-MER), Histone H2A type 1, Histone H2B 1.1, ... | | Authors: | Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U. | | Deposit date: | 2019-07-23 | | Release date: | 2019-12-18 | | Last modified: | 2023-08-16 | | Method: | ELECTRON MICROSCOPY (6.2 Å) | | Cite: | Cryo-EM structure of the human MLL1 core complex bound to the nucleosome.
Nat Commun, 10, 2019
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