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3IIT
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BU of 3iit by Molmil
Factor XA in complex with a cis-1,2-diaminocyclohexane derivative
分子名称: 7-chloro-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{[(5-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)carbonyl]amino}cyclohexyl]isoquinoline-3-carboxamide, Activated factor Xa heavy chain, CALCIUM ION, ...
著者Suzuki, M.
登録日2009-08-03
公開日2010-08-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design, synthesis, and SAR of cis-1,2-diaminocyclohexane derivatives as potent factor Xa inhibitors. Part II: exploration of 6-6 fused rings as alternative S1 moieties.
Bioorg.Med.Chem., 17, 2009
2RQP
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BU of 2rqp by Molmil
The Solution Structure of Heterochromatin Protein 1-Binding Protein 74 Histone H1 like domain
分子名称: Heterochromatin protein 1-binding protein 3
著者Shimamoto, S, Sugahara, H, Ohkubo, T.
登録日2009-09-04
公開日2009-12-29
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献The middle region of an HP1-binding protein, HP1-BP74, associates with linker DNA at the entry/exit site of nucleosomal DNA
J.Biol.Chem., 285, 2010
1WU1
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BU of 1wu1 by Molmil
Factor Xa in complex with the inhibitor 4-[(5-chloroindol-2-yl)sulfonyl]-2-(2-methylpropyl)-1-[[5-(pyridin-4-yl) pyrimidin-2-yl]carbonyl]piperazine
分子名称: 5-CHLORO-2-({3-ISOBUTYL-4-[(5-PYRIDIN-4-YLPYRIMIDIN-2-YL)CARBONYL]PIPERAZIN-1-YL}SULFONYL)-1H-INDOLE, CALCIUM ION, Coagulation factor X, ...
著者Suzuki, M.
登録日2004-11-29
公開日2005-11-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design, synthesis, and biological activity of non-basic compounds as factor Xa inhibitors: SAR study of S1 and aryl binding sites
Bioorg.Med.Chem., 13, 2005
7X5E
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BU of 7x5e by Molmil
Nrf2-MafG heterodimer bound with CsMBE1
分子名称: DNA (5'-D(*CP*AP*TP*GP*AP*TP*GP*AP*GP*TP*CP*AP*GP*CP*AP*A)-3'), DNA (5'-D(*GP*TP*TP*GP*CP*TP*GP*AP*CP*TP*CP*AP*TP*CP*AP*T)-3'), HEXAETHYLENE GLYCOL, ...
著者Sengoku, T, Shiina, M, Suzuki, K, Hamada, K, Sato, K, Uchiyama, A, Okada, C, Baba, S, Ohta, T, Motohashi, H, Yamamoto, M, Ogata, K.
登録日2022-03-04
公開日2022-11-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of transcription regulation by CNC family transcription factor, Nrf2.
Nucleic Acids Res., 50, 2022
7X5F
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BU of 7x5f by Molmil
Nrf2-MafG heterodimer bound with CsMBE2
分子名称: Nuclear factor erythroid 2-related factor 2, Synthetic DNA, Transcription factor MafG
著者Sengoku, T, Shiina, M, Suzuki, K, Hamada, K, Sato, K, Uchiyama, A, Okada, C, Baba, S, Ohta, T, Motohashi, H, Yamamoto, M, Ogata, K.
登録日2022-03-04
公開日2022-11-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis of transcription regulation by CNC family transcription factor, Nrf2.
Nucleic Acids Res., 50, 2022
7X5G
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BU of 7x5g by Molmil
Nrf2 (A510Y)-MafG heterodimer bound with CsMBE2
分子名称: DNA (5'-D(*CP*AP*CP*AP*GP*TP*GP*AP*CP*TP*CP*AP*GP*CP*AP*G)-3'), DNA (5'-D(*GP*CP*TP*GP*CP*TP*GP*AP*GP*TP*CP*AP*CP*TP*GP*T)-3'), Nuclear factor erythroid 2-related factor 2, ...
著者Sengoku, T, Shiina, M, Suzuki, K, Hamada, K, Sato, K, Uchiyama, A, Okada, C, Baba, S, Ohta, T, Motohashi, H, Yamamoto, M, Ogata, K.
登録日2022-03-04
公開日2022-11-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of transcription regulation by CNC family transcription factor, Nrf2.
Nucleic Acids Res., 50, 2022
1V3X
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BU of 1v3x by Molmil
Factor Xa in complex with the inhibitor 1-[6-methyl-4,5,6,7-tetrahydrothiazolo(5,4-c)pyridin-2-yl] carbonyl-2-carbamoyl-4-(6-chloronaphth-2-ylsulphonyl)piperazine
分子名称: (2R)-4-[(6-CHLORO-2-NAPHTHYL)SULFONYL]-1-[(5-METHYL-4,5,6,7-TETRAHYDRO[1,3]THIAZOLO[5,4-C]PYRIDIN-2-YL)CARBONYL]PIPERAZ INE-2-CARBOXAMIDE, CALCIUM ION, Coagulation factor X, ...
著者Suzuki, M.
登録日2003-11-07
公開日2004-11-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Synthesis and conformational analysis of a non-amidine factor Xa inhibitor that incorporates 5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine as S4 binding element
J.Med.Chem., 47, 2004
2D1J
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BU of 2d1j by Molmil
Factor Xa in complex with the inhibitor 2-[[4-[(5-chloroindol-2-yl)sulfonyl]piperazin-1-yl] carbonyl]thieno[3,2-b]pyridine n-oxide
分子名称: 2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN-1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4-OXIDE, CALCIUM ION, Coagulation factor X, ...
著者Suzuki, M.
登録日2005-08-24
公開日2006-08-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design, synthesis, and biological activity of non-basic compounds as factor Xa inhibitors: SAR study of S1 and aryl binding sites.
Bioorg.Med.Chem., 13, 2005
2ZM4
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BU of 2zm4 by Molmil
Crystal structure of imidazo quinoxaline 1 bound to the kinase domain of human LCK, activated form (auto-phosphorylated on TYR394)
分子名称: DIMETHYL SULFOXIDE, N-(2-chloro-6-methylphenyl)-8-[(3S)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine, Proto-oncogene tyrosine-protein kinase LCK, ...
著者Tsuji, E.
登録日2008-04-11
公開日2008-10-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The importance of CH/pi hydrogen bonds in rational drug design: An ab initio fragment molecular orbital study to leukocyte-specific protein tyrosine (LCK) kinase
Bioorg.Med.Chem., 16, 2008
2ZYB
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BU of 2zyb by Molmil
Crystal structure of phenylimidazo pyrazin 2 bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394)
分子名称: N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION
著者Tsuji, E.
登録日2009-01-19
公開日2009-02-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The importance of CH/pi hydrogen bonds in rational drug design: An ab initio fragment molecular orbital study to leukocyte-specific protein tyrosine (LCK) kinase
Bioorg.Med.Chem., 16, 2008
2ZM1
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BU of 2zm1 by Molmil
Crystal structure of imidazo pyrazin 1 bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394)
分子名称: DIMETHYL SULFOXIDE, N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine, Proto-oncogene tyrosine-protein kinase LCK, ...
著者Tsuji, E.
登録日2008-04-10
公開日2008-10-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The importance of CH/pi hydrogen bonds in rational drug design: An ab initio fragment molecular orbital study to leukocyte-specific protein tyrosine (LCK) kinase
Bioorg.Med.Chem., 16, 2008
2EI8
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BU of 2ei8 by Molmil
FACTOR XA IN COMPLEX WITH THE INHIBITOR (1S,2R,4S)-N1-[(5-chloroindol-2-yl)carbonyl]-4-(N,N-dimethylcarbamoyl)-N2-[(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]-1,2-cyclohexanediamine
分子名称: CALCIUM ION, Coagulation factor X, heavy chain, ...
著者Suzuki, M.
登録日2007-03-12
公開日2008-03-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of N-{(1R,2S,5S)-2-{[(5-Chloroindol-2-yl)carbonyl]amino}-5-[(dimethylamino)carbonyl]cyclohexyl}-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide hydrochloride: A Novel, Potent and Orally Active Direct Inhibitor of Factor Xa
To be Published
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件を2024-06-12に公開中

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