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4BQD
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BU of 4bqd by Molmil
KD1 of human TFPI in complex with a synthetic peptide
分子名称: GLYCEROL, PEPTIDE, TISSUE FACTOR PATHWAY INHIBITOR (LIPOPROTEIN-ASSOCIATED COAGULATION INHIBITOR) VARIANT
著者Griessner, A, Brandstetter, H.
登録日2013-05-30
公開日2013-12-04
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Small Peptides Blocking Inhibition of Factor Xa and Tissue Factor-Factor Viia by Tissue Factor Pathway Inhibitor (Tfpi)
J.Biol.Chem., 289, 2014
1C1Z
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BU of 1c1z by Molmil
CRYSTAL STRUCTURE OF HUMAN BETA-2-GLYCOPROTEIN-I (APOLIPOPROTEIN-H)
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA2-GLYCOPROTEIN-I, ...
著者Schwarzenbacher, R, Zeth, K, Diederichs, K, Gries, A, Kostner, G.M, Laggner, P, Prassl, R.
登録日1999-07-22
公開日1999-11-19
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Crystal structure of human beta2-glycoprotein I: implications for phospholipid binding and the antiphospholipid syndrome.
EMBO J., 18, 1999
6HGY
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BU of 6hgy by Molmil
CRYSTAL STRUCTURE OF CATHEPSIN K WITH N-DESMETHYL THALASSOSPIRAMIDE C
分子名称: Cathepsin K, THALASSOSPIRAMIDE C
著者Zakarian, A, Buckman, B.O, Adler, M, Griessner, A, Blaesse, M.
登録日2018-08-23
公開日2019-06-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Total Synthesis of Covalent Cysteine Protease Inhibitor N-Desmethyl Thalassospiramide C and Crystallographic Evidence for Its Mode of Action.
Org.Lett., 21, 2019
6V06
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BU of 6v06 by Molmil
Crystal structure of Beta-2 glycoprotein I purified from plasma (pB2GPI)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-glycoprotein 1, ...
著者Chen, Z, Ruben, E.A, Planer, W, Chinnaraj, M, Zuo, X, Pengo, V, Macor, P, Tedesco, F, Pozzi, N.
登録日2019-11-18
公開日2020-06-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The J-elongated conformation of beta2-glycoprotein I predominates in solution: implications for our understanding of antiphospholipid syndrome.
J.Biol.Chem., 295, 2020
6V09
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BU of 6v09 by Molmil
Crystal structure of human recombinant Beta-2 glycoprotein I short tag (ST-B2GPI)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-glycoprotein 1, SULFATE ION, ...
著者Chen, Z, Ruben, E.A, Planer, W, Chinnaraj, M, Zuo, X, Pengo, V, Macor, P, Tedesco, F, Pozzi, N.
登録日2019-11-18
公開日2020-06-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献The J-elongated conformation of beta2-glycoprotein I predominates in solution: implications for our understanding of antiphospholipid syndrome.
J.Biol.Chem., 295, 2020
6V08
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BU of 6v08 by Molmil
Crystal structure of human recombinant Beta-2 glycoprotein I (hrB2GPI)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-glycoprotein 1, SULFATE ION, ...
著者Chen, Z, Ruben, E.A, Planer, W, Chinnaraj, M, Zuo, X, Pengo, V, Macor, P, Tedesco, F, Pozzi, N.
登録日2019-11-18
公開日2020-06-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献The J-elongated conformation of beta2-glycoprotein I predominates in solution: implications for our understanding of antiphospholipid syndrome.
J.Biol.Chem., 295, 2020
6TPF
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BU of 6tpf by Molmil
Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity
分子名称: (1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide, Tyrosine-protein kinase JAK1
著者Hansen, B.B, Jepsen, T.H, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Molck, C, Rai, S, Nasipireddy, V.R, Griessner, A, Ritzen, A.
登録日2019-12-13
公開日2020-06-10
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity.
J.Med.Chem., 63, 2020
6Y9R
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BU of 6y9r by Molmil
Crystal structure of GSK-3b in complex with the 1H-indazole-3-carboxamide inhibitor 2
分子名称: ACETATE ION, GLYCEROL, Glycogen synthase kinase-3 beta, ...
著者Krapp, S, Griessner, A, Blaesse, M, Buonfiglio, R, Ombrato, R.
登録日2020-03-10
公開日2020-05-20
最終更新日2020-07-08
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Discovery of Novel Imidazopyridine GSK-3 beta Inhibitors Supported by Computational Approaches.
Molecules, 25, 2020
6S41
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BU of 6s41 by Molmil
CRYSTAL STRUCTURE OF PXR IN COMPLEX WITH XPC-7455
分子名称: 4-[[(1~{S})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2
著者Focken, T, Maskos, K, Griessner, A, Krapp, S.
登録日2019-06-26
公開日2019-10-02
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Identification of CNS-Penetrant Aryl Sulfonamides as Isoform-Selective NaV1.6 Inhibitors with Efficacy in Mouse Models of Epilepsy.
J.Med.Chem., 62, 2019
6Y9S
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BU of 6y9s by Molmil
Crystal structure of GSK-3b in complex with the imidazo[1,5-a]pyridine-3-carboxamide inhibitor 16
分子名称: ACETATE ION, Glycogen synthase kinase-3 beta, ~{N}-(oxan-4-ylmethyl)-6-(5-propan-2-yloxypyridin-3-yl)imidazo[1,5-a]pyridine-3-carboxamide
著者Krapp, S, Griessner, A, Blaesse, M, Buonfiglio, R, Ombrato, R.
登録日2020-03-10
公開日2020-05-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Discovery of Novel Imidazopyridine GSK-3 beta Inhibitors Supported by Computational Approaches.
Molecules, 25, 2020

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件を2024-10-16に公開中

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