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PDB: 19 件

2D2P
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BU of 2d2p by Molmil
The solution structure of micelle-bound peptide
分子名称: Pituitary adenylate cyclase activating polypeptide-38
著者Tateishi, Y, Jee, J.G, Inooka, H, Tochio, H, Hiroaki, H, Shirakawa, M.
登録日2005-09-14
公開日2006-09-26
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献The solution structure of micelle-bound peptide
To be Published
8X6R
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BU of 8x6r by Molmil
KRasG12C in complex with inhibitor
分子名称: 1-[7-[6-ethenyl-8-ethoxy-7-(5-methyl-1~{H}-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxy-quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
著者Amano, Y, Tateishi, Y.
登録日2023-11-21
公開日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of ASP6918, a KRAS G12C inhibitor: Synthesis and structure-activity relationships of 1-{2,7-diazaspiro[3.5]non-2-yl}prop-2-en-1-one derivatives as covalent inhibitors with good potency and oral activity for the treatment of solid tumors.
Bioorg.Med.Chem., 98, 2023
5B1S
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BU of 5b1s by Molmil
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with 2-(2-fluorophenyl)ethanamine
分子名称: 2-(2-fluorophenyl)ethanamine, 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, Spermidine synthase, ...
著者Amano, Y, Tateishi, Y.
登録日2015-12-17
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献In silico, in vitro, X-ray crystallography, and integrated strategies for discovering spermidine synthase inhibitors for Chagas disease
Sci Rep, 7, 2017
4YUZ
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BU of 4yuz by Molmil
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with 5-[(4-methylbenzyl)oxy]quinazoline-2,4-diamine
分子名称: 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, 5-[(4-methylbenzyl)oxy]quinazoline-2,4-diamine, Spermidine synthase, ...
著者Amano, Y, Tateishi, Y.
登録日2015-03-19
公開日2015-09-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural insights into the novel inhibition mechanism of Trypanosoma cruzi spermidine synthase.
Acta Crystallogr.,Sect.D, 71, 2015
4YUV
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BU of 4yuv by Molmil
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with decarboxylated S-adenosylmethionine
分子名称: 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, Spermidine synthase, putative
著者Amano, Y, Tateishi, Y.
登録日2015-03-19
公開日2015-09-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights into the novel inhibition mechanism of Trypanosoma cruzi spermidine synthase.
Acta Crystallogr.,Sect.D, 71, 2015
4YV0
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BU of 4yv0 by Molmil
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with (2S)-N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine- 2-carboxamid
分子名称: (2S)-N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide, 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, Spermidine synthase, ...
著者Amano, Y, Tateishi, Y.
登録日2015-03-19
公開日2015-09-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural insights into the novel inhibition mechanism of Trypanosoma cruzi spermidine synthase
Acta Crystallogr.,Sect.D, 71, 2015
4YUY
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BU of 4yuy by Molmil
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with isoquinolin-1-amine
分子名称: 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, ISOQUINOLIN-1-AMINE, Spermidine synthase, ...
著者Amano, Y, Tateishi, Y.
登録日2015-03-19
公開日2015-09-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural insights into the novel inhibition mechanism of Trypanosoma cruzi spermidine synthase.
Acta Crystallogr.,Sect.D, 71, 2015
4YUW
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BU of 4yuw by Molmil
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with trans-4-methylcyclohexylamine
分子名称: 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, Spermidine synthase, putative, ...
著者Amano, Y, Tateishi, Y.
登録日2015-03-19
公開日2015-09-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural insights into the novel inhibition mechanism of Trypanosoma cruzi spermidine synthase.
Acta Crystallogr.,Sect.D, 71, 2015
4YV2
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BU of 4yv2 by Molmil
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with 2-phenyl-1,2-thiazol-3(2H)-one
分子名称: 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, N-phenyl-3-sulfanylpropanamide, Spermidine synthase, ...
著者Amano, Y, Tateishi, Y.
登録日2015-03-19
公開日2015-09-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structural insights into the novel inhibition mechanism of Trypanosoma cruzi spermidine synthase
Acta Crystallogr.,Sect.D, 71, 2015
7DHL
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BU of 7dhl by Molmil
Crystal structure of FGFR3 in complex with pyrimidine derivative
分子名称: 5-[2-(3,5-dimethoxyphenyl)ethyl]-N-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-2-amine, Fibroblast growth factor receptor 3
著者Echizen, Y, Tateishi, Y, Amano, Y.
登録日2020-11-16
公開日2021-02-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Synthesis and structure-activity relationships of pyrimidine derivatives as potent and orally active FGFR3 inhibitors with both increased systemic exposure and enhanced in vitro potency.
Bioorg.Med.Chem., 33, 2021
6LVL
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BU of 6lvl by Molmil
Crystal structure of FGFR2 in complex with 1,3,5-triazine derivative
分子名称: Fibroblast growth factor receptor 2, N-ethyl-2-[[4-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide, SULFATE ION
著者Echizen, Y, Tateishi, Y, Amano, Y.
登録日2020-02-04
公開日2020-04-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Structure-based drug design of 1,3,5-triazine and pyrimidine derivatives as novel FGFR3 inhibitors with high selectivity over VEGFR2.
Bioorg.Med.Chem., 28, 2020
6LVM
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BU of 6lvm by Molmil
Crystal structure of FGFR3 in complex with pyrimidine derivative
分子名称: 2-[[5-[2-(3,5-dimethoxyphenyl)ethyl]-2-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]pyrimidin-4-yl]amino]-N-ethyl-benzenesulfonamide, Fibroblast growth factor receptor 3
著者Echizen, Y, Tateishi, Y, Amano, Y.
登録日2020-02-04
公開日2020-04-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Structure-based drug design of 1,3,5-triazine and pyrimidine derivatives as novel FGFR3 inhibitors with high selectivity over VEGFR2.
Bioorg.Med.Chem., 28, 2020
6LVK
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BU of 6lvk by Molmil
Crystal structure of FGFR2 in complex with 1,3,5-triazine derivative
分子名称: Fibroblast growth factor receptor 2, N-ethyl-2-[[4-[[4-(4-methylpiperazin-1-yl)-3-(2-morpholin-4-ylethoxy)phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide, SULFATE ION
著者Echizen, Y, Amano, Y, Tateishi, Y.
登録日2020-02-04
公開日2020-04-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structure-based drug design of 1,3,5-triazine and pyrimidine derivatives as novel FGFR3 inhibitors with high selectivity over VEGFR2.
Bioorg.Med.Chem., 28, 2020
4YV1
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BU of 4yv1 by Molmil
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with quinolin-8-yl piperidine-1-carboxylate
分子名称: 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, Spermidine synthase, putative, ...
著者Amano, Y, Tateishi, Y.
登録日2015-03-19
公開日2015-09-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural insights into the novel inhibition mechanism of Trypanosoma cruzi spermidine synthase
Acta Crystallogr.,Sect.D, 71, 2015
4YUX
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BU of 4yux by Molmil
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with 2H-1,4-benzothiazin-3-amine
分子名称: 2H-1,4-benzothiazin-3-amine, 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, Spermidine synthase, ...
著者Amano, Y, Tateishi, Y.
登録日2015-03-19
公開日2015-09-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights into the novel inhibition mechanism of Trypanosoma cruzi spermidine synthase.
Acta Crystallogr.,Sect.D, 71, 2015
5Y4Q
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BU of 5y4q by Molmil
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with N-(4-methoxyphenyl)quinolin-4-amine
分子名称: 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, N-(4-methoxyphenyl)quinolin-4-amine, Spermidine synthase, ...
著者Amano, Y, Tateishi, Y.
登録日2017-08-04
公開日2018-08-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Discovery of a Hidden Trypanosoma cruzi Spermidine Synthase Binding Site and Inhibitors through In Silico, In Vitro , and X-ray Crystallography.
Acs Omega, 8, 2023
5Y4P
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BU of 5y4p by Molmil
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with 5-methoxy-2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenol
分子名称: 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, 5-methoxy-2-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenol, Spermidine synthase, ...
著者Amano, Y, Tateishi, Y.
登録日2017-08-04
公開日2018-08-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Discovery of a Hidden Trypanosoma cruzi Spermidine Synthase Binding Site and Inhibitors through In Silico, In Vitro , and X-ray Crystallography.
Acs Omega, 8, 2023
7EN4
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BU of 7en4 by Molmil
Multi-state structure determination and dynamics analysis elucidate a new ubiquitin-recognition mechanism of yeast ubiquitin C-terminal hydrolase.
分子名称: Ubiquitin carboxyl-terminal hydrolase YUH1
著者Okada, M, Tateishi, Y, Nojiri, E, Mikawa, T, Rajesh, S, Ogasawa, H, Ueda, T, Yagi, H, Kohno, T, Kigawa, T, Shimada, I, Guentert, P, Yutaka, I, Ikeya, T.
登録日2021-04-15
公開日2022-04-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Multi-state structure determination and dynamics analysis elucidate a new ubiquitin-recognition mechanism of yeast ubiquitin C-terminal hydrolase.
To Be Published
6AAJ
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BU of 6aaj by Molmil
Crystal structure of JAK2 in complex with peficitinib
分子名称: 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide, Tyrosine-protein kinase JAK2
著者Amano, Y, Tateishi, Y.
登録日2018-07-18
公開日2018-08-15
最終更新日2023-03-08
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Discovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor
Bioorg. Med. Chem., 26, 2018

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