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1HF0
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BU of 1hf0 by Molmil
Crystal structure of the DNA-binding domain of Oct-1 bound to DNA as a dimer
分子名称: DNA 5'-D(*CP*AP*CP*AP*TP*TP*TP*GP*AP*AP*AP*GP*GP* CP*AP*AP*AP*TP*GP*GP*AP*G)-3', DNA 5'-D(*CP*TP*CP*CP*AP*TP*TP*TP*GP*CP*CP*TP*TP* TP*CP*AP*AP*AP*TP*GP*TP*G)-3', OCTAMER-BINDING TRANSCRIPTION FACTOR 1
著者Remenyi, A, Tomilin, A, Pohl, E, Scholer, H.R, Wilmanns, M.
登録日2000-11-27
公開日2001-11-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Differential Dimer Activities of the Transcription Factor Oct-1 by DNA-Induced Interface Swapping
Mol.Cell, 8, 2001
1E3O
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BU of 1e3o by Molmil
Crystal structure of Oct-1 POU dimer bound to MORE
分子名称: 5'-D(*AP*TP*GP*CP*AP*TP*GP*AP*GP*GP*A)-3', 5'-D(*TP*CP*CP*TP*CP*AP*TP*GP*CP*AP*T)-3', OCTAMER-BINDING TRANSCRIPTION FACTOR 1
著者Remenyi, A, Tomilin, A, Pohl, E, Schoeler, H, Wilmanns, M.
登録日2000-06-20
公開日2001-11-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Differential Dimer Activities of the Transcription Factor Oct-1 by DNA-Induced Interface Swapping
Mol.Cell, 8, 2001
4WKN
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BU of 4wkn by Molmil
Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with methylthio-DADMe-Immucillin-A
分子名称: (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL, Aminodeoxyfutalosine nucleosidase
著者Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L.
登録日2014-10-02
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献New Antibiotic Candidates against Helicobacter pylori.
J.Am.Chem.Soc., 137, 2015
4WKO
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BU of 4wko by Molmil
Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with hydroxybutylthio-DADMe-Immucillin-A
分子名称: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-hydroxybutyl)sulfanyl]methyl}pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase
著者Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L.
登録日2014-10-02
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献New Antibiotic Candidates against Helicobacter pylori.
J.Am.Chem.Soc., 137, 2015
4WKP
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BU of 4wkp by Molmil
Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with 2-(2-hydroxyethoxy)ethylthiomethyl-DADMe-Immucillin-A
分子名称: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(2-{[2-(2-hydroxyethoxy)ethyl]sulfanyl}ethyl)pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase, SULFATE ION
著者Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L.
登録日2014-10-02
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献New Antibiotic Candidates against Helicobacter pylori.
J.Am.Chem.Soc., 137, 2015
4YNB
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BU of 4ynb by Molmil
Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with pyrazinylthio-DADMe-Immucillin-A
分子名称: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(pyrazin-2-ylsulfanyl)methyl]pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase, DI(HYDROXYETHYL)ETHER, ...
著者Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L.
登録日2015-03-09
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献New Antibiotic Candidates against Helicobacter pylori.
J.Am.Chem.Soc., 137, 2015
4YO8
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BU of 4yo8 by Molmil
Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with (((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)(hexyl)amino)methanol
分子名称: Aminodeoxyfutalosine nucleosidase, ZINC ION, {[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl](hexyl)amino}methanol
著者Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L.
登録日2015-03-11
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献New Antibiotic Candidates against Helicobacter pylori.
J.Am.Chem.Soc., 137, 2015
1GT0
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BU of 1gt0 by Molmil
Crystal structure of a POU/HMG/DNA ternary complex
分子名称: 5'-D(*AP*TP*CP*CP*CP*AP*TP*TP*AP*GP* CP*AP*TP*CP*CP*AP*AP*AP*CP*AP*AP*AP*GP*A)-3', 5'-D(*TP*TP*CP*TP*TP*TP*GP*TP*TP*TP* GP*GP*AP* TP*GP*CP*TP*AP*AP*TP*GP*GP*GP*A)-3', OCTAMER-BINDING TRANSCRIPTION FACTOR 1, ...
著者Remenyi, A, Wilmanns, M.
登録日2002-01-09
公開日2003-01-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of a POU/Hmg/DNA Ternary Complex Suggests Differential Assembly of Oct4 and Sox2 on Two Enhancers
Genes Dev., 17, 2003
5KMZ
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BU of 5kmz by Molmil
Solution NMR structure of Tetrahymena telomerase RNA pseudoknot
分子名称: Telomerase RNA pseudoknot
著者Cash, D.D, Feigon, J.
登録日2016-06-27
公開日2016-10-12
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure of Tetrahymena telomerase reveals previously unknown subunits, functions, and interactions.
Science, 350, 2015
5LE0
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BU of 5le0 by Molmil
MICAL1 Cterminal domain
分子名称: Protein-methionine sulfoxide oxidase MICAL1
著者Hammich, H, Pylypenko, O, Houdusse, A.
登録日2016-06-29
公開日2017-03-01
最終更新日2017-03-08
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Oxidation of F-actin controls the terminal steps of cytokinesis.
Nat Commun, 8, 2017
5MEC
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BU of 5mec by Molmil
Crystal structure of yeast Cdt1 middle domain (residues 294-433)
分子名称: Cell division cycle protein CDT1
著者Pye, V.E, Frigola, J, Diffley, J.F.X, Cherepanov, P.
登録日2016-11-14
公開日2017-05-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Cdt1 stabilizes an open MCM ring for helicase loading.
Nat Commun, 8, 2017
5MEA
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BU of 5mea by Molmil
Crystal structure of yeast Cdt1 (N terminal and middle domain), form 2.
分子名称: Cell division cycle protein CDT1, GLYCEROL, SULFATE ION
著者Pye, V.E, Frigola, J, Diffley, J.F.X, Cherepanov, P.
登録日2016-11-14
公開日2017-05-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.152 Å)
主引用文献Cdt1 stabilizes an open MCM ring for helicase loading.
Nat Commun, 8, 2017
5MEB
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BU of 5meb by Molmil
Crystal structure of yeast Cdt1 C-terminal domain
分子名称: Cell division cycle protein CDT1, SULFATE ION
著者Pye, V.E, Frigola, J, Diffley, J.F.X, Cherepanov, P.
登録日2016-11-14
公開日2017-05-17
最終更新日2017-07-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Cdt1 stabilizes an open MCM ring for helicase loading.
Nat Commun, 8, 2017
5JJM
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BU of 5jjm by Molmil
Crystal Structure of Homodimeric Androgen Receptor Ligand-Binding Domain bound to DHT and LxxLL peptide
分子名称: 1,2-ETHANEDIOL, 5-ALPHA-DIHYDROTESTOSTERONE, ACETATE ION, ...
著者Estebanez-Perpina, E, Fuentes-Prior, P.
登録日2016-04-24
公開日2017-03-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure of the homodimeric androgen receptor ligand-binding domain.
Nat Commun, 8, 2017
5ME9
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BU of 5me9 by Molmil
Crystal structure of yeast Cdt1 (N terminal and middle domain), form 1.
分子名称: Cell division cycle protein CDT1, GLYCEROL, SULFATE ION
著者Pye, V.E, Frigola, J, Diffley, J.F.X, Cherepanov, P.
登録日2016-11-14
公開日2017-05-17
最終更新日2017-07-05
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cdt1 stabilizes an open MCM ring for helicase loading.
Nat Commun, 8, 2017
3II5
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BU of 3ii5 by Molmil
The Complex of wild-type B-RAF with Pyrazolo pyrimidine inhibitor
分子名称: B-Raf proto-oncogene serine/threonine-protein kinase, N-[3-(3-{4-[(dimethylamino)methyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide, PHOSPHATE ION
著者Xu, W, Breger, D, Torres, N, Dutia, M, Powell, D, Ciszewski, G.
登録日2009-07-31
公開日2009-11-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Non-hinge-binding pyrazolo[1,5-a]pyrimidines as potent B-Raf kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
6H4T
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BU of 6h4t by Molmil
Crystal structure of human KDM4A in complex with compound 19a
分子名称: 8-[4-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Le Bihan, Y.V, van Montfort, R.L.M.
登録日2018-07-23
公開日2019-06-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.
Eur.J.Med.Chem., 177, 2019
6H4R
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BU of 6h4r by Molmil
Crystal structure of human KDM4A in complex with compound 17f
分子名称: 8-[4-[2-[4-[4-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Le Bihan, Y.V, van Montfort, R.L.M.
登録日2018-07-23
公開日2019-06-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.
Eur.J.Med.Chem., 177, 2019
6H4Z
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BU of 6h4z by Molmil
Crystal structure of human KDM5B in complex with compound 16a
分子名称: 1,2-ETHANEDIOL, 8-[4-[2-[4-(3-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ...
著者Le Bihan, Y.V, Velupillai, S, van Montfort, R.L.M.
登録日2018-07-23
公開日2019-06-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.
Eur.J.Med.Chem., 177, 2019
6H4O
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BU of 6h4o by Molmil
Crystal structure of human KDM4A in complex with compound 18a
分子名称: 8-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Le Bihan, Y.V, van Montfort, R.L.M.
登録日2018-07-23
公開日2019-06-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.
Eur.J.Med.Chem., 177, 2019
6H50
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BU of 6h50 by Molmil
Crystal structure of human KDM5B in complex with compound 34a
分子名称: 1,2-ETHANEDIOL, 8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ...
著者Le Bihan, Y.V, Velupillai, S, van Montfort, R.L.M.
登録日2018-07-23
公開日2019-06-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.
Eur.J.Med.Chem., 177, 2019
6H4V
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BU of 6h4v by Molmil
Crystal structure of human KDM4A in complex with compound 34g
分子名称: 8-[4-(1-cyclopentylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Le Bihan, Y.V, van Montfort, R.L.M.
登録日2018-07-23
公開日2019-06-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.
Eur.J.Med.Chem., 177, 2019
6H4P
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BU of 6h4p by Molmil
Crystal structure of human KDM4A in complex with compound 16a
分子名称: 8-[4-[2-[4-(3-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Le Bihan, Y.V, van Montfort, R.L.M.
登録日2018-07-23
公開日2019-06-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.
Eur.J.Med.Chem., 177, 2019
6H4Y
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BU of 6h4y by Molmil
Crystal structure of human KDM4A in complex with compound 17e
分子名称: 8-[4-[2-[4-[4-(2-morpholin-4-ylethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Le Bihan, Y.V, van Montfort, R.L.M.
登録日2018-07-23
公開日2019-06-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.
Eur.J.Med.Chem., 177, 2019
1BM0
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BU of 1bm0 by Molmil
CRYSTAL STRUCTURE OF HUMAN SERUM ALBUMIN
分子名称: SERUM ALBUMIN
著者Sugio, S, Kashima, A, Mochizuki, S, Noda, M, Kobayashi, K.
登録日1998-07-28
公開日1999-07-28
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of human serum albumin at 2.5 A resolution.
Protein Eng., 12, 1999

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