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4CRE
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BU of 4cre by Molmil
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
分子名称: 6-chloro-4-methyl-1H-quinolin-2-one, COAGULATION FACTOR XI, SULFATE ION
著者Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A.
登録日2014-02-26
公開日2015-02-11
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CRG
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BU of 4crg by Molmil
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
分子名称: 6-carbamimidoyl-N-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide, COAGULATION FACTOR XI, GLYCEROL, ...
著者Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A.
登録日2014-02-26
公開日2015-02-11
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CR5
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BU of 4cr5 by Molmil
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
分子名称: 6-chloroquinolin-2(1H)-one, COAGULATION FACTOR XIA, SULFATE ION
著者Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A.
登録日2014-02-25
公開日2015-02-11
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CR9
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BU of 4cr9 by Molmil
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
分子名称: 4-methylquinoline-2,6-diamine, COAGULATION FACTOR XI, SULFATE ION
著者Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A.
登録日2014-02-26
公開日2015-02-11
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CRC
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BU of 4crc by Molmil
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
分子名称: (2S)-2-[[(E)-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenyl-N-[4-(1H-1,2,3,4-tetrazol-5-yl)phenyl]propanamide, COAGULATION FACTOR XI, SULFATE ION
著者Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A.
登録日2014-02-26
公開日2015-02-11
最終更新日2015-08-19
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CRB
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BU of 4crb by Molmil
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
分子名称: COAGULATION FACTOR XI, GLYCEROL, N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide, ...
著者Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A.
登録日2014-02-26
公開日2015-02-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CRD
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BU of 4crd by Molmil
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
分子名称: COAGULATION FACTOR XI, Methyl N-[4-[5-chloro-2-[[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoylamino]methyl]-1H-imidazol-4-yl]phenyl]carbamate, SULFATE ION
著者Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A.
登録日2014-02-26
公開日2015-02-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CRA
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BU of 4cra by Molmil
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
分子名称: COAGULATION FACTOR XI, GLYCEROL, N-[(1S)-2-[(2-amino-5-quinolyl)methylamino]-1-benzyl-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide, ...
著者Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A.
登録日2014-02-26
公開日2015-02-11
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CRF
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BU of 4crf by Molmil
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
分子名称: CHLORIDE ION, Coagulation factor XIa light chain, GLYCEROL, ...
著者Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A.
登録日2014-02-26
公開日2015-02-11
最終更新日2022-05-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4BV5
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BU of 4bv5 by Molmil
Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV.
分子名称: 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexanecarboxamide, APOLIPOPROTEIN(A)
著者Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W.
登録日2013-06-25
公開日2014-07-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
4BV7
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BU of 4bv7 by Molmil
Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV.
分子名称: 3-(4-piperidyl)propanoic acid, ACETATE ION, APOLIPOPROTEIN(A)
著者Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W.
登録日2013-06-25
公開日2014-07-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
4BVD
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BU of 4bvd by Molmil
Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV.
分子名称: 5-chloro-2-fluoro-N-[1-(4-piperidyl)pyrazol-4-yl]benzenesulfonamide, APOLIPOPROTEIN(A), CHLORIDE ION
著者Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W.
登録日2013-06-25
公開日2014-07-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
4BVV
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BU of 4bvv by Molmil
Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV.
分子名称: 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, APOLIPOPROTEIN(A), SULFATE ION
著者Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W.
登録日2013-06-28
公開日2014-07-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
4BVC
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BU of 4bvc by Molmil
Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV.
分子名称: 3-(4-PIPERIDYL)-N-[2-(TRIFLUOROMETHOXY)PHENYL]SULFONYL-PROPANAMIDE, APOLIPOPROTEIN(A), CHLORIDE ION, ...
著者Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W.
登録日2013-06-25
公開日2014-07-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
4BVW
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BU of 4bvw by Molmil
Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV.
分子名称: 1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid, 1,2-ETHANEDIOL, APOLIPOPROTEIN(A), ...
著者Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W.
登録日2013-06-28
公開日2014-07-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
4CIK
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BU of 4cik by Molmil
plasminogen kringle 1 in complex with inhibitor
分子名称: 5-[(2R,4S)-2-(phenylmethyl)piperidin-4-yl]-1,2-oxazol-3-one, PLASMINOGEN
著者Xue, Y, Johansson, C, Cheng, L, Pettersen, D, Gustafsson, D.
登録日2013-12-10
公開日2014-06-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Discovery of the Fibrinolysis Inhibitor Azd6564, Acting Via Interference of a Protein-Protein Interaction.
Acs Med.Chem.Lett., 5, 2014
4AQH
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BU of 4aqh by Molmil
Plasminogen activator inhibitor type-1 in complex with the inhibitor AZ3976
分子名称: PLASMINOGEN ACTIVATOR INHIBITOR 1, TERT-BUTYL 3-[(4-OXO-3H-PYRIDO[2,3-D]PYRIMIDIN-2-YL)AMINO]AZETIDINE-1-CARBOXYLATE
著者Fjellstrom, O, Deinum, J, Sjogren, T, Johansson, C, Geschwindner, S, Nerme, V, Legnehed, A, McPheat, J, Olsson, K, Bodin, C, Gustafsson, D.
登録日2012-04-17
公開日2012-11-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Characterization of a Small Molecule Inhibitor of Plasminogen Activator Inhibitor Type 1 that Accelerates the Transition Into the Latent Conformation
J.Biol.Chem., 288, 2013

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