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4CKR
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BU of 4ckr by Molmil
Crystal structure of the human DDR1 kinase domain in complex with DDR1-IN-1
分子名称: 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
著者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.
登録日2014-01-07
公開日2014-01-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of a Potent and Selective Ddr1 Receptor Tyrosine Kinase Inhibitor.
Acs Chem.Biol., 8, 2013
8HEJ
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BU of 8hej by Molmil
Crystal structure of Transthyretin in complex with a covalent inhibitor trans-styrylpyrazole
分子名称: 2,4,6-trifluorobenzaldehyde, 2,6-dibromo-4-[(E)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethenyl]phenol, Transthyretin
著者Kim, H, Choi, S, Lee, C.
登録日2022-11-08
公開日2023-11-15
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Crystal structure of Transthyretin in complex with a covalent inhibitor trans-styrylpyrazole
To Be Published
2MSY
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BU of 2msy by Molmil
Solution structure of Hox homeodomain
分子名称: Homeobox protein Hox-C9
著者Kim, H, Park, S, Han, J, Lee, B.
登録日2014-08-11
公開日2015-09-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献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
3OUH
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BU of 3ouh by Molmil
PHD2-R127 with JNJ41536014
分子名称: 1-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazole-4-carboxylic acid, Egl nine homolog 1, FE (II) ION, ...
著者Kim, H, Clark, R.
登録日2010-09-14
公開日2010-12-01
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Benzimidazole-2-pyrazole HIF Prolyl 4-Hydroxylase Inhibitors as Oral Erythropoietin Secretagogues.
ACS Med Chem Lett, 1, 2010
7P80
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BU of 7p80 by Molmil
Crystal structure of ClpP from Bacillus subtilis in complex with ADEP2 (compressed state)
分子名称: ADEP2, ATP-dependent Clp protease proteolytic subunit
著者Lee, B.-G, Kim, L, Kim, M.K, Kwon, D.H, Song, H.K.
登録日2021-07-21
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Structural insights into ClpP protease side exit pore-opening by a pH drop coupled with substrate hydrolysis.
Embo J., 41, 2022
7P81
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BU of 7p81 by Molmil
Crystal structure of ClpP from Bacillus subtilis in complex with ADEP2 (compact state)
分子名称: ADEP2, ATP-dependent Clp protease proteolytic subunit
著者Lee, B.-G, Kim, L, Kim, M.K, Kwon, D.H, Song, H.K.
登録日2021-07-21
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structural insights into ClpP protease side exit pore-opening by a pH drop coupled with substrate hydrolysis.
Embo J., 41, 2022
2G97
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BU of 2g97 by Molmil
Crystal Structure of Visfatin/Pre-B Cell Colony Enhancing Factor 1/Nicotinamide Phosphoribosyltransferase In Complex with the Specific Inhibitor FK-866
分子名称: (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, Nicotinamide phosphoribosyltransferase
著者Kim, M.-K, Eom, S.H.
登録日2006-03-05
公開日2006-08-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structure of Visfatin/Pre-B Cell Colony-enhancing Factor 1/Nicotinamide Phosphoribosyltransferase, Free and in Complex with the Anti-cancer Agent FK-866
J.Mol.Biol., 362, 2006
8X9E
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BU of 8x9e by Molmil
Crystal structure of CO dehydrogenase mutant with increased affinity for electron mediators in low PEG concentration
分子名称: 1,2-ETHANEDIOL, Carbon monoxide dehydrogenase 2, FE (III) ION, ...
著者Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y.
登録日2023-11-30
公開日2024-04-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity.
Nat Commun, 15, 2024
8X9G
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BU of 8x9g by Molmil
Crystal structure of CO dehydrogenase mutant in complex with BV
分子名称: 1-(phenylmethyl)-4-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium, Carbon monoxide dehydrogenase 2, FE(4)-NI(1)-S(4) CLUSTER, ...
著者Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y.
登録日2023-11-30
公開日2024-04-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity.
Nat Commun, 15, 2024
8X9F
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BU of 8x9f by Molmil
Crystal structure of CO dehydrogenase mutant in complex with EV
分子名称: 1,2-ETHANEDIOL, 1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium, Carbon monoxide dehydrogenase 2, ...
著者Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y.
登録日2023-11-30
公開日2024-04-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity.
Nat Commun, 15, 2024
8X9D
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BU of 8x9d by Molmil
Crystal structure of CO dehydrogenase mutant with increased affinity for electron mediators in high PEG concentration
分子名称: Carbon monoxide dehydrogenase 2, FE (III) ION, FE(4)-NI(1)-S(4) CLUSTER, ...
著者Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y.
登録日2023-11-30
公開日2024-04-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity.
Nat Commun, 15, 2024
8X9H
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BU of 8x9h by Molmil
Crystal structure of CO dehydrogenase mutant (F41C)
分子名称: Carbon monoxide dehydrogenase 2, FE (III) ION, FE(4)-NI(1)-S(4) CLUSTER, ...
著者Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y.
登録日2023-11-30
公開日2024-04-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity.
Nat Commun, 15, 2024
4UIP
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BU of 4uip by Molmil
The complex structure of extracellular domain of EGFR with Repebody (rAC1).
分子名称: 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, ...
著者Kang, Y.J, Cha, Y.J, Cho, H.S, Lee, J.J, Kim, H.S.
登録日2015-03-31
公開日2015-11-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献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
5X42
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BU of 5x42 by Molmil
Structure of DotL(590-659)-DotN derived from Legionella pneumophila
分子名称: DotN, IcmJ (DotN), IcmO (DotL), ...
著者Kwak, M.J, Kim, J.D, Oh, B.H.
登録日2017-02-09
公開日2017-06-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Architecture of the type IV coupling protein complex of Legionella pneumophila
Nat Microbiol, 2, 2017
3KPE
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BU of 3kpe by Molmil
Solution structure of the respiratory syncytial virus (RSV)six-helix bundle complexed with TMC353121, a small-moleucule inhibitor of RSV
分子名称: 2-[[6-[[[2-(3-hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(4-morpholinyl)propyl]amino]-1H-benzimidazol-1-yl]methyl]-6-methyl-3-pyridinol, Fusion glycoprotein F0, TETRAETHYLENE GLYCOL
著者Roymans, D, De Bondt, H, Arnoult, E, Cummings, M.D, Van Vlijmen, H, Andries, K.
登録日2009-11-16
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Binding of a potent small-molecule inhibitor of six-helix bundle formation requires interactions with both heptad-repeats of the RSV fusion protein.
Proc.Natl.Acad.Sci.USA, 107, 2010
6L39
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BU of 6l39 by Molmil
Cytochrome P450 107G1 (RapN)
分子名称: Cytochrome P450, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
著者Kim, V.C, Kim, D.H, Lim, Y.R, Lee, I.H, Lee, J.H, Kang, L.W.
登録日2019-10-10
公開日2020-09-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Structural insights into CYP107G1 from rapamycin-producing Streptomyces rapamycinicus.
Arch.Biochem.Biophys., 692, 2020
6L3A
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BU of 6l3a by Molmil
Cytochrome P450 107G1 (RapN) with everolimus
分子名称: Cytochrome P450, Everolimus, PROTOPORPHYRIN IX CONTAINING FE
著者Km, V.C, Kim, D.H, Lim, Y.R, Lee, I.H, Lee, J.H, Kang, L.W.
登録日2019-10-10
公開日2020-09-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural insights into CYP107G1 from rapamycin-producing Streptomyces rapamycinicus.
Arch.Biochem.Biophys., 692, 2020
3U5P
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BU of 3u5p by Molmil
Crystal structure of the complex of TRIM33 PHD-Bromo and H3(1-28)K9me3K14acK18acK23ac histone peptide
分子名称: E3 ubiquitin-protein ligase TRIM33, Histone H3.1, ZINC ION
著者Wang, Z, Patel, D.J.
登録日2011-10-11
公開日2012-01-18
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A poised chromatin platform for TGF-beta access to master regulators
Cell(Cambridge,Mass.), 147, 2011
3U5N
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BU of 3u5n by Molmil
Crystal structure of the complex of TRIM33 PHD-Bromo and H3(1-20)K9me3K14ac histone peptide
分子名称: E3 ubiquitin-protein ligase TRIM33, Histone H3.1, ZINC ION
著者Wang, Z, Patel, D.J.
登録日2011-10-11
公開日2012-01-18
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A Poised Chromatin Platform for TGF-beta access to master regulators
Cell(Cambridge,Mass.), 147, 2011
8IVU
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BU of 8ivu by Molmil
Crystal Structure of Human NAMPT in complex with A4276
分子名称: N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
著者Kang, B.G, Cha, S.S.
登録日2023-03-28
公開日2023-10-11
実験手法X-RAY DIFFRACTION (2.09000921 Å)
主引用文献Discovery of a novel NAMPT inhibitor that selectively targets NAPRT-deficient EMT-subtype cancer cells and alleviates chemotherapy-induced peripheral neuropathy.
Theranostics, 13, 2023
6LHU
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BU of 6lhu by Molmil
High resolution structure of FANCA C-terminal domain (CTD)
分子名称: Fanconi anemia complementation group A
著者Jeong, E, Lee, S, Shin, J, Kim, Y, Kim, J, Scharer, O, Kim, Y, Kim, H, Cho, Y.
登録日2019-12-10
公開日2020-03-25
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.46 Å)
主引用文献Structural basis of the fanconi anemia-associated mutations within the FANCA and FANCG complex.
Nucleic Acids Res., 48, 2020
6LHW
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BU of 6lhw by Molmil
Structure of N-terminal and C-terminal domains of FANCA
分子名称: Fanconi anemia complementation group A
著者Jeong, E, Lee, S, Shin, J, Kim, Y, Kim, J, Scharer, O, Kim, Y, Kim, H, Cho, Y.
登録日2019-12-10
公開日2020-03-25
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.84 Å)
主引用文献Structural basis of the fanconi anemia-associated mutations within the FANCA and FANCG complex.
Nucleic Acids Res., 48, 2020
6LHS
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BU of 6lhs by Molmil
High resolution structure of FANCA C-terminal domain (CTD)
分子名称: Fanconi anemia complementation group A
著者Jeong, E, Lee, S, Shin, J, Kim, Y, Scharer, O, Kim, Y, Kim, H, Cho, Y.
登録日2019-12-10
公開日2020-03-25
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Structural basis of the fanconi anemia-associated mutations within the FANCA and FANCG complex.
Nucleic Acids Res., 48, 2020
6LHV
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BU of 6lhv by Molmil
Structure of FANCA and FANCG Complex
分子名称: Fanconi anemia complementation group A, Fanconi anemia complementation group G
著者Jeong, E, Lee, S, Shin, J, Kim, Y, Scharer, O, Kim, Y, Kim, H, Cho, Y.
登録日2019-12-10
公開日2020-03-25
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.59 Å)
主引用文献Structural basis of the fanconi anemia-associated mutations within the FANCA and FANCG complex.
Nucleic Acids Res., 48, 2020
6YEJ
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BU of 6yej by Molmil
Cryo-EM structure of the Full-length disease type human Huntingtin
分子名称: Huntingtin
著者Tame, G, Jung, T, Dal Perraro, M, Hebert, H, Song, J.
登録日2020-03-24
公開日2020-12-16
実験手法ELECTRON MICROSCOPY (18.200001 Å)
主引用文献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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