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1ZLR
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BU of 1zlr by Molmil
Factor XI catalytic domain complexed with 2-guanidino-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethyl nicotinate
分子名称: (1R)-2-{[AMINO(IMINO)METHYL]AMINO}-1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE, Coagulation factor XI, GLYCEROL, ...
著者Lazarova, T.I, Jin, L, Rynkiewicz, M, Gorga, J.C, Bibbins, F, Meyers, H.V, Babine, R, Strickler, J.
登録日2005-05-09
公開日2006-05-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Synthesis and in vitro biological evaluation of aryl boronic acids as potential inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 16, 2006
1ZPC
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BU of 1zpc by Molmil
Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 2-[2-(3-Chloro-phenyl)-2-hydroxy-acetylamino]-N-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-3-methyl-butyramide
分子名称: 2-[2-(3-CHLORO-PHENYL)-2-HYDROXY-ACETYLAMINO]-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-3-METHYL-BUTYRAMIDE, Coagulation factor XI, SULFATE ION
著者Deng, H, Bannister, T.D, Jin, L, Nagafuji, P, Celatka, C.A, Lin, J, Lazarova, T.I, Rynkiewicz, M.J, Quinn, J, Bibbins, F, Pandey, P, Gorga, J, Babine, R.E, Meyers, H.V, Abdel-Meguid, S.S, Strickler, J.E.
登録日2005-05-16
公開日2006-04-18
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine
Bioorg.Med.Chem.Lett., 16, 2006
1ZMJ
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BU of 1zmj by Molmil
Crystal Structure of the Catalytic Domain of Factor XI in complex with 4-(guanidinomethyl)-phenylboronic acid
分子名称: (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)BENZYL)GUANIDINE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Coagulation factor XI, ...
著者Lazarova, T.I, Jin, L, Rynkiewicz, M.J, Gorga, J.C, Bibbins, F, Meyers, H.V, Babine, R.E, Strickler, J.E.
登録日2005-05-10
公開日2006-05-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synthesis and in vitro biological evaluation of aryl boronic acids as potential inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 16, 2006
1ZSJ
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BU of 1zsj by Molmil
Crystal Structure of the Catalytic Domain of Coagulation Factor XI in complex with N-(7-Carbamimidoyl-naphthalen-1-yl)-3-hydroxy-2-methyl-benzamide
分子名称: BICARBONATE ION, Coagulation factor XI, N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-YL)-3-HYDROXY-2-METHYL-BENZAMIDE, ...
著者Guo, Z, Bannister, T, Noll, R, Jin, L, Rynkiewicz, M, Bibbins, F, Magee, S, Gorga, J, Babine, R.E, Strickler, J.E, Meyers, H.V, Abdel-Meguid, S.S.
登録日2005-05-24
公開日2006-05-23
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Synthesis and Optimization of Potent and Selective Inhibitors for Human Factor XIa: Substituted Naphthamidine Series
To be Published
1ZSK
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BU of 1zsk by Molmil
Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 6-Carbamimidoyl-4-(3-hydroxy-2-methyl-benzoylamino)-naphthalene-2-carboxylic acid methyl ester
分子名称: 6-CARBAMIMIDOYL-4-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-NAPHTHALENE-2-CARBOXYLIC ACID METHYL ESTER, BICARBONATE ION, Coagulation factor XI, ...
著者Guo, Z, Bannister, T, Noll, R, Jin, L, Rynkiewicz, M, Bibbins, F, Magee, S, Gorga, J, Babine, R.E, Strickler, J.E, Meyers, H.V, Abdel-Meguid, S.S.
登録日2005-05-24
公開日2006-05-23
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Synthesis and Optimization of Potent and Selective Inhibitors for Human Factor XIa: Substituted Naphthamidine Series
To be Published
1ZML
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BU of 1zml by Molmil
Crystal Structure of the Catalytic Domain of Factor XI in complex with (R)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)phenethyl)guanidine
分子名称: (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE, BICARBONATE ION, Coagulation factor XI, ...
著者Lazarova, T.I, Jin, L, Rynkiewicz, M.J, Gorga, J.C, Bibbins, F, Meyers, H.V, Babine, R.E, Strickler, J.E.
登録日2005-05-10
公開日2006-05-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Synthesis and in vitro biological evaluation of aryl boronic acids as potential inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 16, 2006
1ZPB
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BU of 1zpb by Molmil
Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 4-Methyl-pentanoic acid {1-[4-guanidino-1-(thiazole-2-carbonyl)-butylcarbamoyl]-2-methyl-propyl}-amide
分子名称: 4-METHYL-PENTANOIC ACID {1-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYLCARBAMOYL]-2-METHYL-PROPYL}-AMIDE, Coagulation factor XI, SULFATE ION
著者Deng, H, Bannister, T.D, Jin, L, Nagafuji, P, Celatka, C.A, Lin, J, Lazarova, T.I, Rynkiewicz, M.J, Quinn, J, Bibbins, F, Pandey, P, Gorga, J, Babine, R.E, Meyers, H.V, Abdel-Meguid, S.S, Strickler, J.E.
登録日2005-05-16
公開日2006-04-18
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine
Bioorg.Med.Chem.Lett., 16, 2006
1ZMN
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BU of 1zmn by Molmil
Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with (R)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)phenyl)guanidine
分子名称: (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)PHENYL)GUANIDINE, Coagulation factor XI, SULFATE ION
著者Lazarova, T.I, Jin, L, Rynkiewicz, M.J, Gorga, J.C, Bibbins, F, Meyers, H.V, Babine, R.E, Strickler, J.E.
登録日2005-05-10
公開日2006-05-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Synthesis and in vitro biological evaluation of aryl boronic acids as potential inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 16, 2006
2FDA
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BU of 2fda by Molmil
Crystal Structure of the Catalytic Domain of Human Coagulation Factor XIa in Complex with alpha-Ketothiazole Arginine Derived Ligand
分子名称: BICARBONATE ION, Coagulation factor XI, N~2~-(AMINOCARBONYL)-N~1~-{4-{[AMINO(IMINO)METHYL]AMINO}-1-[HYDROXY(1,3-THIAZOL-2-YL)METHYL]BUTYL}VALINAMIDE, ...
著者Jin, L, Pandey, P, Babine, R.E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E.
登録日2005-12-13
公開日2006-04-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine
Bioorg.Med.Chem.Lett., 16, 2006
1ZOM
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BU of 1zom by Molmil
Crystal Structure of the Catalytic Domain of Coagulation Factor XI in complex with a peptidomimetic Inhibitor
分子名称: (S)-2-(3-((R)-1-(4-BROMOPHENYL)ETHYL)UREIDO)-N-((S)-1-((S)-5-GUANIDINO-1-OXO-1-(THIAZOL-2-YL)PENTAN-2-YLAMINO)-3-METHYL-1-OXOBUTAN-2-YL)-5-UREIDOPENTANAMIDE, Coagulation factor XI, SULFATE ION
著者Lin, J, Deng, H, Jin, L, Pandey, P, Rynkiewicz, M, Bibbins, F, Cantin, S, Quinn, J, Magee, S, Gorga, J.
登録日2005-05-13
公開日2006-05-23
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Design, synthesis, and biological evaluation of peptidomimetic inhibitors of factor XIa as novel anticoagulants.
J.Med.Chem., 49, 2006

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