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3MO2
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BU of 3mo2 by Molmil
human G9a-like (GLP, also known as EHMT1) in complex with inhibitor E67
分子名称: 7-[(5-aminopentyl)oxy]-N~4~-(1-benzylpiperidin-4-yl)-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine, Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, ...
著者Chang, Y, Horton, J.R, Cheng, X.
登録日2010-04-22
公開日2010-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Adding a lysine mimic in the design of potent inhibitors of histone lysine methyltransferases.
J.Mol.Biol., 400, 2010
3MO5
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BU of 3mo5 by Molmil
Human G9a-like (GLP, also known as EHMT1) in complex with inhibitor E72
分子名称: 7-[(5-aminopentyl)oxy]-N~4~-[1-(5-aminopentyl)piperidin-4-yl]-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine, Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, ...
著者Chang, Y, Horton, J.R, Cheng, X.
登録日2010-04-22
公開日2010-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Adding a lysine mimic in the design of potent inhibitors of histone lysine methyltransferases.
J.Mol.Biol., 400, 2010
1BQK
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BU of 1bqk by Molmil
OXIDIZED PSEUDOAZURIN
分子名称: COPPER (II) ION, PSEUDOAZURIN
著者Inoue, T, Nishio, N, Hamanaka, S, Shimomura, T, Harada, S, Suzuki, S, Kohzuma, T, Shidara, S, Iwasaki, H, Kai, Y.
登録日1998-08-17
公開日1999-08-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal structure determinations of oxidized and reduced pseudoazurins from Achromobacter cycloclastes. Concerted movement of copper site in redox forms with the rearrangement of hydrogen bond at a remote histidine.
J.Biol.Chem., 274, 1999
1N27
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BU of 1n27 by Molmil
Solution structure of the PWWP domain of mouse Hepatoma-derived growth factor, related protein 3
分子名称: Hepatoma-derived growth factor, related protein 3
著者Nameki, N, Kigawa, T, Koshiba, S, Kobayashi, N, Tochio, N, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2002-10-22
公開日2003-12-23
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the PWWP domain of the hepatoma-derived growth factor family.
Protein Sci., 14, 2005
2ROZ
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BU of 2roz by Molmil
Structure of the C-terminal PID Domain of Fe65L1 Complexed with the Cytoplasmic Tail of APP Reveals a Novel Peptide Binding Mode
分子名称: Amyloid beta A4 precursor protein-binding family B member 2, peptide from Amyloid beta A4 protein
著者Li, H, Koshiba, S, Tochio, N, Watanabe, S, Harada, T, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2008-04-25
公開日2008-07-22
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structure of the C-terminal phosphotyrosine interaction domain of Fe65L1 complexed with the cytoplasmic tail of amyloid precursor protein reveals a novel peptide binding mode
J.Biol.Chem., 283, 2008
6PGO
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BU of 6pgo by Molmil
Crystal structure of human KRAS G12C covalently bound to a phthalazine inhibitor
分子名称: 1-{4-[7-chloro-6-(2-fluoro-6-hydroxyphenyl)-4-phenylphthalazin-1-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Mohr, C.
登録日2019-06-24
公開日2019-12-25
最終更新日2020-01-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of a Covalent Inhibitor of KRASG12C(AMG 510) for the Treatment of Solid Tumors.
J.Med.Chem., 63, 2020
6PGP
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BU of 6pgp by Molmil
Crystal structure of human KRAS G12C covalently bound to a quinazolinone inhibitor
分子名称: 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)-1-[2-(propan-2-yl)phenyl]quinazolin-2(1H)-one, CALCIUM ION, GTPase KRas, ...
著者Mohr, C, Whittington, D.A.
登録日2019-06-24
公開日2019-12-25
最終更新日2020-01-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of a Covalent Inhibitor of KRASG12C(AMG 510) for the Treatment of Solid Tumors.
J.Med.Chem., 63, 2020
7SR8
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BU of 7sr8 by Molmil
Molecular mechanism of the the wake-promoting agent TAK-925
分子名称: 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, Hypocretin receptor type 2, ...
著者Yin, J, Chapman, K, Lian, P, De Brabander, J.K, Rosenbaum, D.M.
登録日2021-11-08
公開日2022-06-08
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Molecular mechanism of the wake-promoting agent TAK-925.
Nat Commun, 13, 2022
6OR6
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BU of 6or6 by Molmil
Full-length S. pombe Mdn1 in the presence of AMPPNP (tail region)
分子名称: Midasin
著者Chen, Z, Suzuki, H, Wang, A.C, DiMaio, F, Walz, T, Kapoor, T.M.
登録日2019-04-29
公開日2019-05-29
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (5.3 Å)
主引用文献Structural Insights into Mdn1, an Essential AAA Protein Required for Ribosome Biogenesis.
Cell, 175, 2018
6OR5
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BU of 6or5 by Molmil
Full-length S. pombe Mdn1 in the presence of AMPPNP (ring region)
分子名称: Midasin, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Chen, Z, Suzuki, H, Wang, A.C, DiMaio, F, Walz, T, Kapoor, T.M.
登録日2019-04-29
公開日2019-05-29
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structural Insights into Mdn1, an Essential AAA Protein Required for Ribosome Biogenesis.
Cell, 175, 2018
4EBV
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BU of 4ebv by Molmil
Structure of Focal Adhesion Kinase catalytic domain in complex with novel allosteric inhibitor
分子名称: 8-(4-ethylphenyl)-5-methyl-2,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide, Focal adhesion kinase 1, ISOPROPYL ALCOHOL
著者Skene, R.J, Hosfield, D.J.
登録日2012-03-25
公開日2012-08-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Discovery and characterization of novel allosteric FAK inhibitors.
Eur.J.Med.Chem., 61, 2013
6ORB
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BU of 6orb by Molmil
Full-length S. pombe Mdn1 in the presence of ATP and Rbin-1
分子名称: Midasin
著者Chen, Z, Suzuki, H, Wang, A.C, DiMaio, F, Walz, T, Kapoor, T.M.
登録日2019-04-29
公開日2019-05-29
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (7.7 Å)
主引用文献Structural Insights into Mdn1, an Essential AAA Protein Required for Ribosome Biogenesis.
Cell, 175, 2018
8E22
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BU of 8e22 by Molmil
VPS37A_21-148
分子名称: Vacuolar protein sorting-associated protein 37A
著者Tian, F, Ye, Y.S.
登録日2022-08-12
公開日2023-08-09
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Identification of membrane curvature sensing motifs essential for VPS37A phagophore recruitment and autophagosome closure.
Commun Biol, 7, 2024
3I8U
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BU of 3i8u by Molmil
Crystal structure of PcyA-181,182-dihydrobiliverdin complex
分子名称: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-2-ylidene]methy l]-5-[(Z)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Phycocyanobilin:ferredoxin oxidoreductase
著者Hagiwara, Y, Sugishima, M, Fukuyama, K.
登録日2009-07-10
公開日2009-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Structural insights into vinyl reduction regiospecificity of phycocyanobilin:ferredoxin oxidoreductase (PcyA).
To be Published
3I95
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BU of 3i95 by Molmil
Crystal structure of E76Q mutant PcyA-biliverdin complex
分子名称: BILIVERDINE IX ALPHA, Phycocyanobilin:ferredoxin oxidoreductase
著者Hagiwara, Y, Sugishima, M, Fukuyama, K.
登録日2009-07-10
公開日2009-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural insights into vinyl reduction regiospecificity of phycocyanobilin:ferredoxin oxidoreductase (PcyA).
To be Published
6UIN
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BU of 6uin by Molmil
Role of Beta-hairpin motifs in the DNA duplex opening by the Rad4/XPC nucleotide excision repair complex
分子名称: DNA (5'-D(*AP*TP*TP*GP*TP*AP*GP*NP*NP*NP*NP*GP*GP*AP*TP*GP*TP*CP*GP*AP*GP*TP*CP*A)-3'), DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*(G47)P*AP*CP*AP*TP*CP*CP*CP*CP*CP*CP*CP*TP*AP*CP*AP*A)-3'), DNA repair protein RAD4, ...
著者Paul, D, Min, J.-H.
登録日2019-10-01
公開日2020-10-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.348 Å)
主引用文献Tethering-facilitated DNA 'opening' and complementary roles of beta-hairpin motifs in the Rad4/XPC DNA damage sensor protein
Nucleic Acids Res., 48, 2021
4XY2
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BU of 4xy2 by Molmil
Crystal structure of PDE10A in complex with ASP9436
分子名称: 1-methyl-5-(1-methyl-3-{[4-(1-methyl-1H-benzimidazol-4-yl)phenoxy]methyl}-1H-pyrazol-4-yl)pyridin-2(1H)-one, MAGNESIUM ION, ZINC ION, ...
著者Amano, Y, Honbou, K.
登録日2015-02-02
公開日2015-06-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Addressing phototoxicity observed in a novel series of biaryl derivatives: Discovery of potent, selective and orally active phosphodiesterase 10A inhibitor ASP9436
Bioorg.Med.Chem., 23, 2015
6UG1
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BU of 6ug1 by Molmil
Sequence impact in DNA duplex opening by the Rad4/XPC nucleotide excision repair complex
分子名称: DNA (5'-D(*AP*TP*TP*GP*TP*AP*GP*GP*GP*AP*TP*GP*TP*CP*GP*AP*GP*TP*CP*A)-3'), DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*(G47)P*AP*CP*AP*TP*CP*CP*CP*CP*TP*AP*CP*AP*A)-3'), DNA repair protein RAD4, ...
著者Paul, D, Min, J.-H.
登録日2019-09-25
公開日2021-03-31
最終更新日2021-09-08
実験手法X-RAY DIFFRACTION (2.833 Å)
主引用文献Impact of DNA sequences on DNA 'opening' by the Rad4/XPC nucleotide excision repair complex.
DNA Repair (Amst), 107, 2021
8GU3
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BU of 8gu3 by Molmil
Crystal structure of Caenorhabditis elegans METT-10 methyltransferase domain
分子名称: U6 small nuclear RNA (adenine-(43)-N(6))-methyltransferase
著者Ju, J, Tomita, K.
登録日2022-09-09
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Structure of the Caenorhabditis elegans m6A methyltransferase METT10 that regulates SAM homeostasis.
Nucleic Acids Res., 51, 2023
7BI1
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BU of 7bi1 by Molmil
XFEL crystal structure of soybean ascorbate peroxidase compound II
分子名称: Ascorbate peroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE
著者Kwon, H, Tosha, T, Sugimoto, H, Raven, E.L, Moody, P.C.E.
登録日2021-01-12
公開日2021-04-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献XFEL Crystal Structures of Peroxidase Compound II.
Angew.Chem.Int.Ed.Engl., 60, 2021
7BIU
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BU of 7biu by Molmil
XFEL crystal structure of cytochrome c peroxidase compound II
分子名称: Cytochrome c peroxidase, mitochondrial, HEME C
著者Kwon, H, Tosha, T, Sugimoto, H, Raven, E.L, Moody, P.C.E.
登録日2021-01-13
公開日2021-04-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献XFEL Crystal Structures of Peroxidase Compound II.
Angew.Chem.Int.Ed.Engl., 60, 2021
5AWO
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BU of 5awo by Molmil
Arthrobacter globiformis T6 isomalto-dextranse
分子名称: ACETATE ION, Isomaltodextranase, PHOSPHATE ION
著者Tonozuka, T.
登録日2015-07-08
公開日2015-09-09
最終更新日2020-02-26
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Crystal Structure and Mutational Analysis of Isomalto-dextranase, a Member of Glycoside Hydrolase Family 27
J.Biol.Chem., 290, 2015
4YSH
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BU of 4ysh by Molmil
Crystal structure of glycine oxidase from Geobacillus kaustophilus
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, ...
著者Shiono, T, Nomura, T, Arai, R.
登録日2015-03-17
公開日2016-03-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of glycine oxidase from Geobacillus kaustophilus
to be published
5AWP
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BU of 5awp by Molmil
Arthrobacter globiformis T6 isomalto-dextranase complexed with isomaltose
分子名称: Isomaltodextranase, PHOSPHATE ION, alpha-D-glucopyranose-(1-6)-beta-D-glucopyranose
著者Tonozuka, T.
登録日2015-07-08
公開日2015-09-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure and Mutational Analysis of Isomalto-dextranase, a Member of Glycoside Hydrolase Family 27
J.Biol.Chem., 290, 2015
5AWQ
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Arthrobacter globiformis T6 isomalto-dextranse complexed with panose
分子名称: Isomaltodextranase, PHOSPHATE ION, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose, ...
著者Tonozuka, T.
登録日2015-07-08
公開日2015-09-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Crystal Structure and Mutational Analysis of Isomalto-dextranase, a Member of Glycoside Hydrolase Family 27
J.Biol.Chem., 290, 2015

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