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PDB: 97 件
5B4T
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Crystal structure of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and a substrate D-3-hydroxybutyrate
分子名称: (3R)-3-hydroxybutanoic acid, 3-hydroxybutyrate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Kanazawa, H, Tsunoda, M, Hoque, M.M, Suzuki, K, Yamamoto, T, Takenaka, A.
登録日2016-04-19
公開日2016-08-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Structural insights into the catalytic reaction trigger and inhibition of D-3-hydroxybutyrate dehydrogenase
Acta Crystallogr.,Sect.F, 72, 2016
5B4U
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Crystal structure of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and an inhibitor malonate
分子名称: 3-hydroxybutyrate dehydrogenase, CHLORIDE ION, MALONIC ACID, ...
著者Kanazawa, H, Tsunoda, M, Hoque, M.M, Suzuki, K, Yamamoto, T, Takenaka, A.
登録日2016-04-19
公開日2016-08-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural insights into the catalytic reaction trigger and inhibition of D-3-hydroxybutyrate dehydrogenase
Acta Crystallogr.,Sect.F, 72, 2016
3WYY
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CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH (E)-3-(4-((6-(((3s,5s,7s)-adamantan-1-yl)amino)-4-amino-5-cyanopyridin-2-yl)amino)-2-(cyanomethoxy)phenyl)-N-(2-methoxyethyl)acrylamide
分子名称: (2E)-3-[4-({4-amino-5-cyano-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]pyridin-2-yl}amino)-2-(cyanomethoxy)phenyl]-N-(2-methoxyethyl)prop-2-enamide, Dual specificity protein kinase TTK
著者Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Murai, H, Nakamura, Y.
登録日2014-09-10
公開日2015-04-08
最終更新日2022-08-24
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献A unique hinge binder of extremely selective aminopyridine-based Mps1 (TTK) kinase inhibitors with cellular activity.
Bioorg.Med.Chem., 23, 2015
3WZJ
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CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-(6-(cyclohexylamino)-8-(((tetrahydro-2H-pyran-4-yl)methyl)amino)imidazo[1,2-b]pyridazin-3-yl)-N-cyclopropylbenzamide
分子名称: 4-{6-(cyclohexylamino)-8-[(tetrahydro-2H-pyran-4-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}-N-cyclopropylbenzamide, Dual specificity protein kinase TTK
著者Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y.
登録日2014-09-29
公開日2015-02-11
最終更新日2022-08-24
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Discovery of imidazo[1,2-b]pyridazine derivatives: selective and orally available Mps1 (TTK) kinase inhibitors exhibiting remarkable antiproliferative activity.
J.Med.Chem., 58, 2015
3WYX
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CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 6-((3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-2-(cyclohexylamino)nicotinonitrile
分子名称: 6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile, Dual specificity protein kinase TTK, IODIDE ION
著者Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y.
登録日2014-09-09
公開日2015-04-08
最終更新日2022-08-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A unique hinge binder of extremely selective aminopyridine-based Mps1 (TTK) kinase inhibitors with cellular activity.
Bioorg.Med.Chem., 23, 2015
3WZK
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CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH N-cyclopropyl-4-(8-((thiophen-2-ylmethyl)amino)imidazo[1,2-a]pyrazin-3-yl)benzamide
分子名称: CHLORIDE ION, Dual specificity protein kinase TTK, N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide
著者Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y.
登録日2014-09-29
公開日2015-02-11
最終更新日2022-08-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of imidazo[1,2-b]pyridazine derivatives: selective and orally available Mps1 (TTK) kinase inhibitors exhibiting remarkable antiproliferative activity.
J.Med.Chem., 58, 2015
3VV6
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BU of 3vv6 by Molmil
Crystal Structure of beta secetase in complex with 2-amino-3-methyl-6-((1S, 2R)-2-phenylcyclopropyl)pyrimidin-4(3H)-one
分子名称: 2-amino-3-methyl-6-[(1S,2R)-2-phenylcyclopropyl]pyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL, ...
著者Yonezawa, S, Yamamoto, T, Yamakawa, H, Muto, C, Hosono, M, Hattori, K, Higashino, K, Sakagami, M, Togame, H, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S.
登録日2012-07-17
公開日2012-10-24
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Conformational restriction approach to beta-secretase (BACE1) inhibitors: effect of a cyclopropane ring to induce an alternative binding mode
J.Med.Chem., 55, 2012
3VV8
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Crystal structure of beta secetase in complex with 2-amino-3-methyl-6-((1S,2R)-2-(3'-methylbiphenyl-4-yl)cyclopropyl)pyrimidin-4(3H)-one
分子名称: 2-amino-3-methyl-6-[(1S,2R)-2-(3'-methylbiphenyl-4-yl)cyclopropyl]pyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL
著者Yonezawa, S, Yamamoto, T, Yamakawa, H, Muto, C, Hosono, M, Hattori, K, Higashino, K, Sakagami, M, Togame, H, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S.
登録日2012-07-17
公開日2012-10-24
最終更新日2013-09-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Conformational restriction approach to beta-secretase (BACE1) inhibitors: effect of a cyclopropane ring to induce an alternative binding mode.
J.Med.Chem., 55, 2012
3VV7
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Crystal Structure of beta secetase in complex with 2-amino-6-((1S,2R)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl)-3-methylpyrimidin-4(3H)-one
分子名称: 2-amino-6-[(1S,2R)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl]-3-methylpyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL, ...
著者Yonezawa, S, Yamamoto, T, Yamakawa, H, Muto, C, Hosono, M, Hattori, K, Higashino, K, Sakagami, M, Togame, H, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S.
登録日2012-07-17
公開日2012-10-24
最終更新日2013-09-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Conformational restriction approach to beta-secretase (BACE1) inhibitors: effect of a cyclopropane ring to induce an alternative binding mode.
J.Med.Chem., 55, 2012
3VRP
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BU of 3vrp by Molmil
Crystal structure of the tyrosine kinase binding domain of Cbl-c in complex with phospho-EGFR peptide
分子名称: CALCIUM ION, Epidermal growth factor receptor, Signal transduction protein CBL-C
著者Takeshita, K, Tezuka, T, Isozaki, Y, Yamashita, E, Suzuki, M, Yamanashi, Y, Yamamoto, T, Nakagawa, A.
登録日2012-04-13
公開日2013-03-06
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structural flexibility regulates phosphopeptide-binding activity of the tyrosine kinase binding domain of Cbl-c.
J.Biochem., 152, 2012
3VRR
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BU of 3vrr by Molmil
Crystal structure of the tyrosine kinase binding domain of Cbl-c (PL mutant) in complex with phospho-EGFR peptide
分子名称: CALCIUM ION, Epidermal growth factor receptor, Signal transduction protein CBL-C
著者Takeshita, K, Tezuka, T, Isozaki, Y, Yamashita, E, Suzuki, M, Yamanashi, Y, Yamamoto, T, Nakagawa, A.
登録日2012-04-13
公開日2013-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural flexibility regulates phosphopeptide-binding activity of the tyrosine kinase binding domain of Cbl-c.
J.Biochem., 152, 2012
3VRO
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Crystal structure of the tyrosine kinase binding domain of Cbl-c in complex with phospho-Src peptide
分子名称: CALCIUM ION, Proto-oncogene tyrosine-protein kinase Src, Signal transduction protein CBL-C
著者Takeshita, K, Tezuka, T, Isozaki, Y, Yamashita, E, Suzuki, M, Yamanashi, Y, Yamamoto, T, Nakagawa, A.
登録日2012-04-13
公開日2013-03-06
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural flexibility regulates phosphopeptide-binding activity of the tyrosine kinase binding domain of Cbl-c.
J.Biochem., 152, 2012
3VRN
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BU of 3vrn by Molmil
Crystal structure of the tyrosine kinase binding domain of Cbl-c
分子名称: CALCIUM ION, Signal transduction protein CBL-C
著者Takeshita, K, Tezuka, T, Isozaki, Y, Yamashita, E, Suzuki, M, Yamanashi, Y, Yamamoto, T, Nakagawa, A.
登録日2012-04-13
公開日2013-03-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structural flexibility regulates phosphopeptide-binding activity of the tyrosine kinase binding domain of Cbl-c
J.Biochem., 152, 2012
3VRQ
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BU of 3vrq by Molmil
Crystal structure of the tyrosine kinase binding domain of Cbl-c (PL mutant)
分子名称: CALCIUM ION, Signal transduction protein CBL-C
著者Takeshita, K, Tezuka, T, Isozaki, Y, Yamashita, E, Suzuki, M, Yamanashi, Y, Yamamoto, T, Nakagawa, A.
登録日2012-04-13
公開日2013-03-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structural flexibility regulates phosphopeptide-binding activity of the tyrosine kinase binding domain of Cbl-c.
J.Biochem., 152, 2012
3WB5
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Crystal Structure of beta secetase in complex with (6S)-2-amino-3,6-dimethyl-6-[(1R,2R)-2-phenylcyclopropyl]-3,4,5,6-tetrahydropyrimidin-4-one
分子名称: (6S)-2-amino-3,6-dimethyl-6-[(1R,2R)-2-phenylcyclopropyl]-5,6-dihydropyrimidin-4(3H)-one, Beta-secretase 1, DIMETHYL SULFOXIDE, ...
著者Yonezawa, S, Fujiwara, K, Yamamoto, T, Hattori, K, Yamakawa, H, Muto, C, Hosono, M, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S.
登録日2013-05-13
公開日2013-10-02
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Conformational restriction approach to beta-secretase (BACE1) inhibitors III: Effective investigation of the binding mode by combinational use of X-ray analysis, isothermal titration calorimetry and theoretical calculations
Bioorg.Med.Chem., 21, 2013
3WB4
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Crystal Structure of beta secetase in complex with 2-amino-3,6-dimethyl-6-(2-phenylethyl)-3,4,5,6-tetrahydropyrimidin-4-one
分子名称: (6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5,6-dihydropyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL, ...
著者Yonezawa, S, Fujiwara, K, Yamamoto, T, Hattori, K, Yamakawa, H, Muto, C, Hosono, M, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S.
登録日2013-05-13
公開日2013-10-02
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Conformational restriction approach to beta-secretase (BACE1) inhibitors III: Effective investigation of the binding mode by combinational use of X-ray analysis, isothermal titration calorimetry and theoretical calculations
Bioorg.Med.Chem., 21, 2013
2Z4T
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Crystal Structure of Vibrionaceae Photobacterium sp. JT-ISH-224 2,6-sialyltransferase in a Ternary Complex with Donor Product CMP and Accepter Substrate Lactose
分子名称: Beta-galactoside alpha-2,6-sialyltransferase, CYTIDINE-5'-MONOPHOSPHATE, GLYCEROL, ...
著者Kakuta, Y, Okino, N, Kajiwara, H, Ichikawa, M, Takakura, Y, Ito, M, Yamamoto, T.
登録日2007-06-25
公開日2008-04-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of Vibrionaceae Photobacterium sp. JT-ISH-224 alpha2,6-sialyltransferase in a ternary complex with donor product CMP and acceptor substrate lactose: catalytic mechanism and substrate recognition
Glycobiology, 18, 2008
2ZSC
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BU of 2zsc by Molmil
Tamavidin2, Novel Avidin-like Biotin-Binding Proteins from an Edible Mushroom
分子名称: BIOTIN, GLYCEROL, MAGNESIUM ION, ...
著者Kakuta, Y, Okino, N, Ito, M, Yamamoto, T, Takakura, Y.
登録日2008-09-05
公開日2009-02-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Tamavidins--novel avidin-like biotin-binding proteins from the Tamogitake mushroom
Febs J., 276, 2009
3W8D
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BU of 3w8d by Molmil
Crystal structure of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and an inhibitor methylmalonate
分子名称: CHLORIDE ION, D-3-hydroxybutyrate dehydrogenase, METHYLMALONIC ACID, ...
著者Kanazawa, H, Tsunoda, M, Hoque, M.M, Suzuki, K, Yamamoto, T, Takenaka, A.
登録日2013-03-12
公開日2014-03-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献X-ray diffraction of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and methylmalonate
To be Published
3W8E
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BU of 3w8e by Molmil
Crystal structure of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and a substrate D-3-hydroxybutyrate
分子名称: (3R)-3-hydroxybutanoic acid, D-3-hydroxybutyrate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Kanazawa, H, Tsunoda, M, Hoque, M.M, Suzuki, K, Yamamoto, T, Takenaka, A.
登録日2013-03-12
公開日2014-03-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献High resolution X-ray diffraction of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and D-3-hydroxybutyrate
To be Published
3W8F
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BU of 3w8f by Molmil
Crystal structure of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and an inhibitor malonate
分子名称: CHLORIDE ION, D-3-hydroxybutyrate dehydrogenase, MALONIC ACID, ...
著者Kanazawa, H, Tsunoda, M, Hoque, M.M, Suzuki, K, Yamamoto, T, Takenaka, A.
登録日2013-03-12
公開日2014-03-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献X-ray diffraction of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and malonate
To be Published
6KVX
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Crystal structure of the N-terminal domain single mutant (D119A) of the human mitochondrial calcium uniporter fused with T4 lysozyme
分子名称: Endolysin,Calcium uniporter protein, mitochondrial, SULFATE ION
著者Lee, Y, Park, J, Lee, G, Yoon, S, Min, C.K, Kim, T.G, Yamamoto, T, Kim, D.H, Lee, K.W, Eom, S.H.
登録日2019-09-05
公開日2020-05-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal structure of the N-terminal domain single mutant (D119A) of the human mitochondrial calcium uniporter fused with T4 lysozyme
Sci Rep, 2020
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