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3LNQ
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BU of 3lnq by Molmil
Structure of Aristaless homeodomain in complex with DNA
分子名称: 5'-D(*CP*CP*CP*TP*AP*AP*TP*TP*AP*AP*AP*CP*CP*C)-3', 5'-D(*GP*GP*GP*TP*TP*TP*AP*AP*TP*TP*AP*GP*GP*G)-3', ACETATE ION, ...
著者Takamura, Y, Miyazono, K, Nagata, K, Saigo, K, Kojima, T, Tanokura, M.
登録日2010-02-02
公開日2010-04-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Cooperative DNA-binding and sequence-recognition mechanism of aristaless and clawless
Embo J., 29, 2010
3A03
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BU of 3a03 by Molmil
Crystal structure of Hox11L1 homeodomain
分子名称: SODIUM ION, SULFATE ION, T-cell leukemia homeobox protein 2
著者Miyazono, K, Nagata, K, Saigo, K, Kojima, T, Tanokura, M.
登録日2009-02-28
公開日2010-03-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Cooperative DNA-binding and sequence-recognition mechanism of aristaless and clawless
Embo J., 29, 2010
3A01
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BU of 3a01 by Molmil
Crystal structure of Aristaless and Clawless homeodomains bound to DNA
分子名称: 5'-D(*CP*CP*GP*CP*AP*AP*TP*TP*AP*AP*TP*TP*AP*AP*GP*CP*C)-3', 5'-D(*GP*GP*CP*TP*TP*AP*AP*TP*TP*AP*AP*TP*TP*GP*CP*GP*G)-3', Homeobox protein aristaless, ...
著者Miyazono, K, Nagata, K, Saigo, K, Kojima, T, Tanokura, M.
登録日2009-02-28
公開日2010-03-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cooperative DNA-binding and sequence-recognition mechanism of aristaless and clawless
Embo J., 29, 2010
3A02
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BU of 3a02 by Molmil
Crystal structure of Aristaless homeodomain
分子名称: CADMIUM ION, CHLORIDE ION, Homeobox protein aristaless
著者Miyazono, K, Nagata, K, Saigo, K, Kojima, T, Tanokura, M.
登録日2009-02-28
公開日2010-03-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Cooperative DNA-binding and sequence-recognition mechanism of aristaless and clawless
Embo J., 29, 2010
6LRA
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BU of 6lra by Molmil
The complex structure of PHF core domain peptide of tau and antibody's Fab domain.
分子名称: Fab Heavy Chain, Fab Light Chain, VQIINK
著者Tomohiro, T, Kouki, S, Tomohiro, S, Takahiro, T, Katsushiro, M, Yasuko, I, Katsuhiko, M, Taizo, T, Toshimitsu, I, Koji, T.
登録日2020-01-15
公開日2020-08-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the human tau PHF core domain VQIINK complexed with the Fab domain of monoclonal antibody Tau2r3.
Febs Lett., 2020
7FGL
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BU of 7fgl by Molmil
The complex structure of PHF core domain peptide of tau, VQIVYK, and antibody's Fab domain.
分子名称: AMMONIUM ION, Fab Heavy Chain, Fab Light Chain, ...
著者Tsuchida, T, Tsuchiya, T, Miyamoto, K, In, Y, Minoura, K, Taniguchi, T, Ishida, T, Tomoo, K.
登録日2021-07-27
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The cross-reaction complex structure with VQIVYK of tau and the antibody's Fab domain.
To Be Published
7YV1
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BU of 7yv1 by Molmil
Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor LUNA18 and KA30L Fab
分子名称: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, KA30L Fab H-chain, ...
著者Irie, M, Fukami, T.A, Matsuo, A, Saka, K, Nishimura, M, Saito, H, Torizawa, T, Tanada, M, Ohta, A.
登録日2022-08-18
公開日2023-07-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.454 Å)
主引用文献Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets.
J.Am.Chem.Soc., 145, 2023
7YUZ
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BU of 7yuz by Molmil
Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP8784
分子名称: AP8784, GUANOSINE-5'-DIPHOSPHATE, IODIDE ION, ...
著者Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T.
登録日2022-08-18
公開日2023-07-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.878 Å)
主引用文献Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets.
J.Am.Chem.Soc., 145, 2023
1VOM
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BU of 1vom by Molmil
COMPLEX BETWEEN DICTYOSTELIUM MYOSIN AND MGADP AND VANADATE AT 1.9A RESOLUTION
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, MYOSIN, ...
著者Rayment, I, Smith, C.A.
登録日1995-11-09
公開日1996-12-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献X-ray structure of the magnesium(II).ADP.vanadate complex of the Dictyostelium discoideum myosin motor domain to 1.9 A resolution.
Biochemistry, 35, 1996
1MND
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BU of 1mnd by Molmil
TRUNCATED HEAD OF MYOSIN FROM DICTYOSTELIUM DISCOIDEUM COMPLEXED WITH MGADP-ALF4
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, MYOSIN, ...
著者Smith, C.A, Rayment, I.
登録日1995-04-15
公開日1996-08-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献X-ray structures of the myosin motor domain of Dictyostelium discoideum complexed with MgADP.BeFx and MgADP.AlF4-.
Biochemistry, 34, 1995
6N3L
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BU of 6n3l by Molmil
Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents
分子名称: N-{6-[(1-methyl-2-{[4-(trifluoromethyl)phenyl]amino}-1H-benzimidazol-5-yl)oxy]pyrimidin-4-yl}cyclopropanecarboxamide, eIF-2-alpha kinase GCN2,eIF-2-alpha kinase GCN2
著者Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R.
登録日2018-11-15
公開日2019-10-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode.
Acs Med.Chem.Lett., 10, 2019
6N3N
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BU of 6n3n by Molmil
Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents
分子名称: N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-2,5-dichloro-3-(hydroxymethyl)benzene-1-sulfonamide, eIF-2-alpha kinase GCN2,eIF-2-alpha kinase GCN2
著者Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R.
登録日2018-11-15
公開日2019-10-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode.
Acs Med.Chem.Lett., 10, 2019
6N3O
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BU of 6n3o by Molmil
Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents
分子名称: N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-5-chloro-2-methoxypyridine-3-sulfonamide, eIF-2-alpha kinase GCN2
著者Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R.
登録日2018-11-15
公開日2019-10-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode.
Acs Med.Chem.Lett., 10, 2019
5LY2
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BU of 5ly2 by Molmil
JMJD2A/ KDM4A COMPLEXED WITH NI(II), NOG AND Macrocyclic PEPTIDE Inhibitor CP2_R6Kme3 (13-mer)
分子名称: CHLORIDE ION, CP2_R6Kme3, GLYCEROL, ...
著者Chowdhury, R, Madden, S.K, Hopkinson, R, Schofield, C.J.
登録日2016-09-23
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Highly selective inhibition of histone demethylases by de novo macrocyclic peptides.
Nat Commun, 8, 2017
5LY1
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BU of 5ly1 by Molmil
JMJD2A/ KDM4A COMPLEXED WITH NI(II) AND Macrocyclic PEPTIDE Inhibitor CP2 (13-mer)
分子名称: CHLORIDE ION, CP2, GLYCEROL, ...
著者King, O.N.F, Chowdhury, R, Kawamura, A, Schofield, C.J.
登録日2016-09-23
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Highly selective inhibition of histone demethylases by de novo macrocyclic peptides.
Nat Commun, 8, 2017
4HY4
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BU of 4hy4 by Molmil
Crystal structure of cIAP1 BIR3 bound to T3170284
分子名称: (3S,8aR)-2-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION
著者Dougan, D.R, Mol, C.D, Snell, G.P.
登録日2012-11-12
公開日2013-01-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.249 Å)
主引用文献Design and Synthesis of Potent Inhibitor of Apoptosis (IAP) Proteins Antagonists Bearing an Octahydropyrrolo[1,2-a]pyrazine Scaffold as a Novel Proline Mimetic.
J.Med.Chem., 56, 2013
4HY5
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BU of 4hy5 by Molmil
Crystal structure of cIAP1 BIR3 bound to T3256336
分子名称: (3S,7R,8aR)-2-{(2S)-2-(4,4-difluorocyclohexyl)-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION
著者Dougan, D.R, Snell, G.P.
登録日2012-11-13
公開日2013-01-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.752 Å)
主引用文献Design and Synthesis of Potent Inhibitor of Apoptosis (IAP) Proteins Antagonists Bearing an Octahydropyrrolo[1,2-a]pyrazine Scaffold as a Novel Proline Mimetic.
J.Med.Chem., 56, 2013
4HY0
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BU of 4hy0 by Molmil
Crystal structure of XIAP BIR3 with T3256336
分子名称: (3S,7R,8aR)-2-{(2S)-2-(4,4-difluorocyclohexyl)-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxamide, E3 ubiquitin-protein ligase XIAP, ZINC ION
著者Snell, G.S, Dougan, D.R.
登録日2012-11-12
公開日2013-01-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Design and Synthesis of Potent Inhibitor of Apoptosis (IAP) Proteins Antagonists Bearing an Octahydropyrrolo[1,2-a]pyrazine Scaffold as a Novel Proline Mimetic.
J.Med.Chem., 56, 2013
1MMD
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BU of 1mmd by Molmil
TRUNCATED HEAD OF MYOSIN FROM DICTYOSTELIUM DISCOIDEUM COMPLEXED WITH MGADP-BEF3
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
著者Fisher, A.J, Holden, H.M, Rayment, I.
登録日1995-03-21
公開日1996-08-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray structures of the myosin motor domain of Dictyostelium discoideum complexed with MgADP.BeFx and MgADP.AlF4-.
Biochemistry, 34, 1995
5B1W
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BU of 5b1w by Molmil
Crystal structure of human dendritic cell inhibitory receptor (DCIR) C-type lectin domain in ligand-free form
分子名称: C-type lectin domain family 4 member A, CALCIUM ION
著者Nagae, M, Yamaguchi, Y.
登録日2015-12-21
公開日2016-05-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Crystal structure of human dendritic cell inhibitory receptor C-type lectin domain reveals the binding mode with N-glycan
Febs Lett., 590, 2016
5B1X
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BU of 5b1x by Molmil
Crystal structure of human dendritic cell inhibitory receptor (DCIR) C-type lectin domain in complex with biantennary glycan
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, C-type lectin domain family 4 member A, CALCIUM ION
著者Nagae, M, Yamaguchi, Y.
登録日2015-12-21
公開日2016-05-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.902 Å)
主引用文献Crystal structure of human dendritic cell inhibitory receptor C-type lectin domain reveals the binding mode with N-glycan
Febs Lett., 590, 2016

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