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PDB: 317 件
5H09
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BU of 5h09 by Molmil
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-ethyl2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-4-methylpentanoate
分子名称: Tyrosine-protein kinase HCK, ethyl (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanoate
著者Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M.
登録日2016-10-04
公開日2017-10-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.945 Å)
主引用文献Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen.
Bioorg. Med. Chem., 25, 2017
5H0B
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BU of 5h0b by Molmil
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-4-methylpentanoic acid
分子名称: (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]azaniumyl]-4-methyl-pentanoate, Tyrosine-protein kinase HCK
著者Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M.
登録日2016-10-04
公開日2017-10-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.651 Å)
主引用文献Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen.
Bioorg. Med. Chem., 25, 2017
5H0E
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BU of 5h0e by Molmil
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-4-methylpentanamide
分子名称: (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanamide, Tyrosine-protein kinase HCK
著者Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M.
登録日2016-10-04
公開日2017-10-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen.
Bioorg. Med. Chem., 25, 2017
5H0H
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BU of 5h0h by Molmil
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-N,N,4-trimethylpentanamide
分子名称: (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{N},~{N},4-trimethyl-pentanamide, Tyrosine-protein kinase HCK
著者Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M.
登録日2016-10-04
公開日2017-10-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen.
Bioorg. Med. Chem., 25, 2017
5H0G
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BU of 5h0g by Molmil
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-N,4-dimethylpentanamide
分子名称: (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{N},4-dimethyl-pentanamide, Tyrosine-protein kinase HCK
著者Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M.
登録日2016-10-04
公開日2017-10-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen.
Bioorg. Med. Chem., 25, 2017
3VU4
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BU of 3vu4 by Molmil
Crystal structure of Kluyvelomyces marxianus Hsv2
分子名称: KmHsv2, SULFATE ION
著者Watanabe, Y, Noda, N.N.
登録日2012-06-15
公開日2012-07-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-based analyses reveal distinct binding sites for Atg2 and phosphoinositides in Atg18.
J.Biol.Chem., 287, 2012
5B2M
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BU of 5b2m by Molmil
A crucial role of Cys218 in the stabilization of an unprecedented auto-inhibition form of MAP2K7
分子名称: Dual specificity mitogen-activated protein kinase kinase 7
著者Sogabe, Y, Hashimoto, T, Matsumoto, T, Kirii, Y, Sawa, M, Kinoshita, T.
登録日2016-01-19
公開日2016-04-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献A crucial role of Cys218 in configuring an unprecedented auto-inhibition form of MAP2K7
Biochem.Biophys.Res.Commun., 473, 2016
5B2L
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BU of 5b2l by Molmil
A crucial role of Cys218 in the stabilization of an unprecedented auto-inhibition form of MAP2K7
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Dual specificity mitogen-activated protein kinase kinase 7, GLYCEROL
著者Sogabe, Y, Hashimoto, T, Matsumoto, T, Kirii, Y, Sawa, M, Kinoshita, T.
登録日2016-01-19
公開日2016-04-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A crucial role of Cys218 in configuring an unprecedented auto-inhibition form of MAP2K7
Biochem.Biophys.Res.Commun., 473, 2016
7C03
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BU of 7c03 by Molmil
Crystal structure of POLArISact(T57S), genetically encoded probe for fluorescent polarization
分子名称: POLArISact(T57S)
著者Tomabechi, Y, Sakai, N, Shirouzu, M.
登録日2020-04-30
公開日2021-03-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献POLArIS, a versatile probe for molecular orientation, revealed actin filaments associated with microtubule asters in early embryos.
Proc.Natl.Acad.Sci.USA, 118, 2021
5B2K
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BU of 5b2k by Molmil
A crucial role of Cys218 in the stabilization of an unprecedented auto-inhibition form of MAP2K7
分子名称: Dual specificity mitogen-activated protein kinase kinase 7
著者Sogabe, Y, Hashimoto, T, Matsumoto, T, Kirii, Y, Sawa, M, Kinoshita, T.
登録日2016-01-19
公開日2016-04-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献A crucial role of Cys218 in configuring an unprecedented auto-inhibition form of MAP2K7
Biochem.Biophys.Res.Commun., 473, 2016
5AZG
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BU of 5azg by Molmil
Crystal structure of LGG-1 complexed with a UNC-51 peptide
分子名称: CADMIUM ION, Protein lgg-1, Serine/threonine-protein kinase unc-51
著者Watanabe, Y, Fujioka, Y, Noda, N.N.
登録日2015-10-05
公開日2015-12-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structural Basis of the Differential Function of the Two C. elegans Atg8 Homologs, LGG-1 and LGG-2, in Autophagy.
Mol.Cell, 60, 2015
5AZH
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BU of 5azh by Molmil
Crystal structure of LGG-2 fused with an EEEWEEL peptide
分子名称: EEEWEEL peptide,Protein lgg-2, MAGNESIUM ION
著者Watanabe, Y, Fujioka, Y, Noda, N.N.
登録日2015-10-05
公開日2015-12-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis of the Differential Function of the Two C. elegans Atg8 Homologs, LGG-1 and LGG-2, in Autophagy.
Mol.Cell, 60, 2015
5AZF
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BU of 5azf by Molmil
Crystal structure of LGG-1 complexed with a WEEL peptide
分子名称: CADMIUM ION, Protein lgg-1, SULFATE ION, ...
著者Watanabe, Y, Noda, N.N.
登録日2015-10-05
公開日2015-12-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Basis of the Differential Function of the Two C. elegans Atg8 Homologs, LGG-1 and LGG-2, in Autophagy.
Mol.Cell, 60, 2015
6K9Y
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BU of 6k9y by Molmil
Crystal structure of human VAT-1
分子名称: NITRATE ION, Synaptic vesicle membrane protein VAT-1 homolog
著者Watanabe, Y, Endo, T.
登録日2019-06-19
公開日2020-02-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for interorganelle phospholipid transport mediated by VAT-1.
J.Biol.Chem., 295, 2020
7VSX
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BU of 7vsx by Molmil
Crystal structure of QL-nanoKAZ (Reverse mutant of nanoKAZ with L18Q and V27L)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, QLnK
著者Tomabechi, Y, Sekine, S, Shirouzu, M, Takamitsu, H, Satoshi, I.
登録日2021-10-27
公開日2022-08-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献Reverse mutants of the catalytic 19 kDa mutant protein (nanoKAZ/nanoLuc) from Oplophorus luciferase with coelenterazine as preferred substrate.
Plos One, 17, 2022
5GV0
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BU of 5gv0 by Molmil
Crystal structure of the membrane-proximal domain of mouse lysosome-associated membrane protein 1 (LAMP-1)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosome-associated membrane glycoprotein 1, SULFATE ION
著者Tomabechi, Y, Ehara, H, Kukimoto-Niino, M, Shirouzu, M.
登録日2016-09-01
公開日2016-10-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Lysosome-associated membrane proteins-1 and -2 (LAMP-1 and LAMP-2) assemble via distinct modes
Biochem.Biophys.Res.Commun., 479, 2016
5GV3
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BU of 5gv3 by Molmil
Crystal structure of the membrane-distal domain of mouse lysosome-associated membrane protein 2 (LAMP-2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosome-associated membrane glycoprotein 2, ZINC ION
著者Tomabechi, Y, Ehara, H, Kukimoto-Niino, M, Shirouzu, M.
登録日2016-09-01
公開日2017-09-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.096 Å)
主引用文献Lysosome-associated membrane proteins-1 and -2 (LAMP-1 and LAMP-2) assemble via distinct modes.
Biochem. Biophys. Res. Commun., 479, 2016
5AXD
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BU of 5axd by Molmil
Crystal structure of mouse SAHH complexed with ribavirin
分子名称: 1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Kusakabe, Y, Ishihara, M, Tanaka, N.
登録日2015-07-24
公開日2016-07-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of mouse SAHH complexed with ribavirin
To Be Published
5AXC
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BU of 5axc by Molmil
Crystal structure of mouse SAHH complexed with 3'-keto aristeromycin
分子名称: (2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentanone, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Kusakabe, Y, Ishihara, M, Tanaka, N.
登録日2015-07-24
公開日2016-07-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of mouse SAHH complexed with 3'-keto aristeromycin
To Be Published
5AXA
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BU of 5axa by Molmil
Crystal structure of mouse SAHH complexed with adenosine
分子名称: ADENOSINE, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Kusakabe, Y, Ishihara, M, Tanaka, N.
登録日2015-07-24
公開日2016-07-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of mouse SAHH complexed with adenosine
To Be Published
5AXB
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BU of 5axb by Molmil
Crystal structure of mouse SAHH complexed with noraristeromycin
分子名称: (1S,2R,3S,4R)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Kusakabe, Y, Ishihara, M, Tanaka, N.
登録日2015-07-24
公開日2016-07-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of mouse SAHH complexed with noraristeromycin
To Be Published
5B0U
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BU of 5b0u by Molmil
Crystal structure of the mutated 19 kDa protein of Oplophorus luciferase (nanoKAZ)
分子名称: Oplophorus-luciferin 2-monooxygenase catalytic subunit
著者Tomabechi, Y, Ehara, H, Sekine, S.I, Shirouzu, M.
登録日2015-11-04
公開日2016-01-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Crystal structure of nanoKAZ: The mutated 19 kDa component of Oplophorus luciferase catalyzing the bioluminescent reaction with coelenterazine
Biochem.Biophys.Res.Commun., 470, 2016
5AUJ
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BU of 5auj by Molmil
Pyrococcus furiosus proliferating cell nuclear antigen (PCNA) SeMet derivative
分子名称: DNA polymerase sliding clamp
著者Watanabe, Y, Oyama, T.
登録日2015-04-21
公開日2016-04-27
最終更新日2020-02-19
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Pyrococcus furiosus proliferating cell nuclear antigen (PCNA) SeMet derivative
To Be Published
5ZJ6
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BU of 5zj6 by Molmil
Crystal structure of HCK kinase complexed with a pyrrolo-pyrimidine inhibitor 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
分子名称: 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Tyrosine-protein kinase HCK
著者Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M.
登録日2018-03-19
公開日2018-06-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.696 Å)
主引用文献Phosphorylated and non-phosphorylated HCK kinase domains produced by cell-free protein expression.
Protein Expr. Purif., 150, 2018
3WZU
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BU of 3wzu by Molmil
THE STRUCTURE OF MAP2K7 IN COMPLEX WITH 5Z-7-oxozeaenol
分子名称: (3S,5Z,8S,9S,11E)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Dual specificity mitogen-activated protein kinase kinase 7
著者Sogabe, Y, Hashimoto, Y, Matsumoto, T, Kinoshita, T.
登録日2014-10-07
公開日2015-01-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献5Z-7-Oxozeaenol covalently binds to MAP2K7 at Cys218 in an unprecedented manner.
Bioorg.Med.Chem.Lett., 25, 2015

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