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5JGD
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BU of 5jgd by Molmil
Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 12
分子名称: N-(2-isopropoxy-3-(4-methylpiperazine-1-carbonyl)phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide, TAK1 kinase - TAB1 chimera fusion protein
著者Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K.
登録日2016-04-20
公開日2016-07-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.101 Å)
主引用文献Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD)
Bioorg.Med.Chem., 24, 2016
5JGA
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BU of 5jga by Molmil
Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 11c
分子名称: N-[5-(4-methylpiperazine-1-carbonyl)[1,1'-biphenyl]-2-yl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide, TAK1 kinase - TAB1 chimera fusion protein
著者Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K.
登録日2016-04-19
公開日2016-07-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD)
Bioorg.Med.Chem., 24, 2016
3RCD
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BU of 3rcd by Molmil
HER2 Kinase Domain Complexed with TAK-285
分子名称: N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide, Receptor tyrosine-protein kinase erbB-2
著者Aertgeerts, K, Skene, R, Sogabe, S.
登録日2011-03-30
公開日2011-11-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Design and Synthesis of Novel Human Epidermal Growth Factor Receptor 2 (HER2)/Epidermal Growth Factor Receptor (EGFR) Dual Inhibitors Bearing a Pyrrolo[3,2-d]pyrimidine Scaffold.
J.Med.Chem., 54, 2011
3APC
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BU of 3apc by Molmil
Crystal structure of human PI3K-gamma in complex with CH5132799
分子名称: 5-(7-Methanesulfonyl-2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Nakamura, M, Fukami, T.A, Miyazaki, T, Yoshida, M.
登録日2010-10-14
公開日2011-04-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.544 Å)
主引用文献Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799
Bioorg.Med.Chem.Lett., 21, 2011
3APD
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BU of 3apd by Molmil
Crystal structure of human PI3K-gamma in complex with CH5108134
分子名称: 5-(2-Morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Nakamura, M, Fukami, T.A, Miyazaki, T, Yoshida, M.
登録日2010-10-14
公開日2011-04-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799
Bioorg.Med.Chem.Lett., 21, 2011
6LZ9
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BU of 6lz9 by Molmil
t8E4 antibody Fab complexed with the active form of HGF
分子名称: Heavy chain of t8E4 Fab fragment, Hepatocyte growth factor, Light chain of t8E4 Fab fragment
著者Kitago, Y, Umitsu, M, Takagi, J.
登録日2020-02-18
公開日2020-03-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献t8E4 antibody Fab complexed with the active form of HGF
To Be Published
1GTW
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BU of 1gtw by Molmil
crystal structure of C/EBPbeta bZip homodimer bound to a DNA fragment from the tom-1A promoter
分子名称: 5'-D(*AP*AP*TP*GP*TP*GP*GP*CP*GP*CP* AP*AP*TP*CP*CP*T)-3', 5'-D(*TP*AP*GP*GP*AP*TP*TP*GP*CP*GP* CP*CP*AP*CP*AP*T)-3', CAAT/ENHANCER BINDING PROTEIN BETA
著者Tahirov, T.H, Ogata, K.
登録日2002-01-22
公開日2004-02-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural Basis for Flexible Base Recognition by C/Ebpbeta
To be Published
1GU4
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BU of 1gu4 by Molmil
Crystal structure of C/EBPBETA BZIP homodimer bound to a high affinity DNA fragment
分子名称: 5'-D(*AP*AP*TP*AP*TP*TP*GP*CP*GP*CP* AP*AP*TP*CP*CP*T)-3', 5'-D(*TP*AP*GP*GP*AP*TP*TP*GP*CP*GP* CP*AP*AP*TP*AP*T)-3', CAAT/ENHANCER BINDING PROTEIN BETA
著者Tahirov, T.H, Ogata, K.
登録日2002-01-23
公開日2003-06-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis for Flexible Base Recognition by C/Ebpbeta
To be Published
1GU5
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BU of 1gu5 by Molmil
Crystal structure of C/EBPBETA BZIP homodimer bound to a DNA fragment from the MIM-1 promoter
分子名称: 5'-D(*AP*TP*GP*AP*TP*TP*GP*GP*CP*CP* AP*AP*CP*AP*CP*A)-3', 5'-D(*TP*TP*GP*TP*GP*TP*TP*GP*GP*CP* CP*AP*AP*TP*CP*A)-3', CAAT/ENHANCER BINDING PROTEIN BETA
著者Tahirov, T.H, Ogata, K.
登録日2002-01-24
公開日2003-06-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis for Flexible Base Recognition by C/Ebpbeta
To be Published
7WBT
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BU of 7wbt by Molmil
Crystal structure of bovine NLRP9
分子名称: ADENOSINE-5'-DIPHOSPHATE, NACHT, LRR and PYD domains-containing protein 9
著者Kamitsukasa, Y, Shimizu, T, Ohto, U.
登録日2021-12-17
公開日2022-04-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献The structure of NLRP9 reveals a unique C-terminal region with putative regulatory function.
Febs Lett., 596, 2022
7WBU
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BU of 7wbu by Molmil
Cryo-EM structure of bovine NLRP9
分子名称: ADENOSINE-5'-DIPHOSPHATE, NACHT, LRR and PYD domains-containing protein 9
著者Kamitsukasa, Y, Shimizu, T, Ohto, U.
登録日2021-12-17
公開日2022-04-06
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.42 Å)
主引用文献The structure of NLRP9 reveals a unique C-terminal region with putative regulatory function.
Febs Lett., 596, 2022
5XCR
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BU of 5xcr by Molmil
Crystal structure of P20.1 Fv-clasp fragment with its antigen peptide
分子名称: C8 peptide, VH-SARAH(Y35C) chimera, VL-SARAH(M24C) chimera
著者Arimori, T, Takagi, J.
登録日2017-03-23
公開日2017-10-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Fv-clasp: An Artificially Designed Small Antibody Fragment with Improved Production Compatibility, Stability, and Crystallizability
Structure, 25, 2017
5XCX
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BU of 5xcx by Molmil
Crystal structure of TS2/16 Fv-clasp fragment
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GLYCEROL, PHOSPHATE ION, ...
著者Arimori, T, Takagi, J.
登録日2017-03-23
公開日2017-10-04
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Fv-clasp: An Artificially Designed Small Antibody Fragment with Improved Production Compatibility, Stability, and Crystallizability
Structure, 25, 2017
5XCS
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BU of 5xcs by Molmil
Crystal structure of 12CA5 Fv-clasp fragment with its antigen peptide
分子名称: HA peptide, SULFATE ION, VH-SARAH(Y35C) chimera, ...
著者Arimori, T, Takagi, J.
登録日2017-03-23
公開日2017-10-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Fv-clasp: An Artificially Designed Small Antibody Fragment with Improved Production Compatibility, Stability, and Crystallizability
Structure, 25, 2017
5XCQ
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BU of 5xcq by Molmil
Crystal structure of P20.1 Fv-clasp fragment with its antigen peptide
分子名称: C8 peptide, SULFATE ION, VH-SARAH(Y35C)chimera, ...
著者Arimori, T, Takagi, J.
登録日2017-03-23
公開日2017-10-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.313 Å)
主引用文献Fv-clasp: An Artificially Designed Small Antibody Fragment with Improved Production Compatibility, Stability, and Crystallizability
Structure, 25, 2017
5XCU
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BU of 5xcu by Molmil
Crystal structure of 12CA5 Fv-clasp fragment with its antigen peptide
分子名称: HA peptide, SULFATE ION, VH(S112C)-SARAH chimera,VH(S112C)-SARAH chimera, ...
著者Arimori, T, Takagi, J.
登録日2017-03-23
公開日2017-10-04
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.454 Å)
主引用文献Fv-clasp: An Artificially Designed Small Antibody Fragment with Improved Production Compatibility, Stability, and Crystallizability
Structure, 25, 2017
5XCV
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BU of 5xcv by Molmil
Crystal structure of NZ-1 Fv-clasp fragment with its antigen peptide
分子名称: CALCIUM ION, PA14 peptide, VH(S112C)-SARAH chimera,VH(S112C)-SARAH chimera, ...
著者Arimori, T, Takagi, J.
登録日2017-03-23
公開日2017-10-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.143 Å)
主引用文献Fv-clasp: An Artificially Designed Small Antibody Fragment with Improved Production Compatibility, Stability, and Crystallizability
Structure, 25, 2017
5GJF
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BU of 5gjf by Molmil
Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 3
分子名称: N-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(3-phenylureido)phenyl)thiazole-4-carboxamide, TAK1 kinase - TAB1 chimera fusion protein
著者Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K.
登録日2016-06-29
公開日2016-11-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD)
Chem.Pharm.Bull., 64, 2016
5GJG
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BU of 5gjg by Molmil
Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 4
分子名称: N-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(phenylcarbamoyl)phenyl)thiazole-4-carboxamide, TAK1 kinase - TAB1 chimera fusion protein
著者Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K.
登録日2016-06-29
公開日2016-11-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD)
Chem.Pharm.Bull., 64, 2016
5GJD
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BU of 5gjd by Molmil
Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 2
分子名称: 1-(4-((1H-pyrrolo[2,3-b]pyridin-4-yl)oxy)phenyl)-3-(5-(4-methylpiperazin-1-yl)naphthalen-2-yl)urea, TAK1 kinase - TAB1 chimera fusion protein
著者Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K.
登録日2016-06-29
公開日2016-11-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD)
Chem.Pharm.Bull., 64, 2016
6L8A
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BU of 6l8a by Molmil
Tetrathionate hydrolase from Acidithiobacillus ferrooxidans
分子名称: BETA-ALANINE, GLYCINE, SULFATE ION, ...
著者Tamada, T, Hirano, Y.
登録日2019-11-05
公開日2020-11-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.95004809 Å)
主引用文献Reaction mechanism of tetrathionate hydrolysis based on the crystal structure of tetrathionate hydrolase from Acidithiobacillus ferrooxidans.
Protein Sci., 30, 2020
4YUU
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BU of 4yuu by Molmil
Crystal structure of oxygen-evolving photosystem II from a red alga
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Ago, H, Shen, J.-R.
登録日2015-03-19
公開日2016-01-20
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.7700038 Å)
主引用文献Novel Features of Eukaryotic Photosystem II Revealed by Its Crystal Structure Analysis from a Red Alga
J.Biol.Chem., 291, 2016
4PK6
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BU of 4pk6 by Molmil
Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with imidazothiazole derivative
分子名称: Indoleamine 2,3-dioxygenase 1, N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide, PROTOPORPHYRIN IX CONTAINING FE
著者Kohno, T, Tojo, S, Ishii, T, Kamioka, S.
登録日2014-05-13
公開日2014-09-03
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献Crystal Structures and Structure-Activity Relationships of Imidazothiazole Derivatives as IDO1 Inhibitors.
Acs Med.Chem.Lett., 5, 2014
5V2C
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BU of 5v2c by Molmil
RE-REFINEMENT OF CRYSTAL STRUCTURE OF PHOTOSYSTEM II COMPLEX
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Wang, J, Wiwczar, J.M, Brudvig, G.W.
登録日2017-03-03
公開日2017-08-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Chlorophyll a with a farnesyl tail in thermophilic cyanobacteria.
Photosyn. Res., 134, 2017
5B7V
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BU of 5b7v by Molmil
Human FGFR1 kinase in complex with CH5183284
分子名称: Fibroblast growth factor receptor 1, SULFATE ION, [5-amino-1-(2-methyl-1H-benzimidazol-6-yl)-1H-pyrazol-4-yl](1H-indol-2-yl)methanone
著者Fukami, T.A, Lukacs, C.M, Janson, C.
登録日2016-06-09
公開日2016-06-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The fibroblast growth factor receptor genetic status as a potential predictor of the sensitivity to CH5183284/Debio 1347, a novel selective FGFR inhibitor
Mol.Cancer Ther., 13, 2014

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