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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
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
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
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
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
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
7NI1
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BU of 7ni1 by Molmil
CRYSTAL STRUCTURE OF NATIVE HUMAN MYELOPEROXIDASE IN COMPLEX WITH CPD 9
分子名称: (S)-1-(2-(amino(phenyl)methyl)benzyl)-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Sjogren, T, Inghardt, T.
登録日2021-02-11
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Discovery of AZD4831, a Mechanism-Based Irreversible Inhibitor of Myeloperoxidase, As a Potential Treatment for Heart Failure with Preserved Ejection Fraction.
J.Med.Chem., 65, 2022
7NI3
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BU of 7ni3 by Molmil
CRYSTAL STRUCTURE OF NATIVE HUMAN MYELOPEROXIDASE IN COMPLEX WITH CPD 3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-sulfanylidene-3-[(2R)-tetrahydro-2-furanylmethyl]-1,2,3,7-tetrahydro-6H-purin-6-one, CALCIUM ION, ...
著者Sjogren, T, Inghardt, T.
登録日2021-02-11
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of AZD4831, a Mechanism-Based Irreversible Inhibitor of Myeloperoxidase, As a Potential Treatment for Heart Failure with Preserved Ejection Fraction.
J.Med.Chem., 65, 2022

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件を2024-05-01に公開中

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