5MXD
 
 | | BACE-1 IN COMPLEX WITH LIGAND 32397778 | | 分子名称: | Beta-secretase 1, CHLORIDE ION, ~{N},~{N}-dimethyl-2-pyrrolidin-1-yl-quinazolin-4-amine | | 著者 | Alexander, R. | | 登録日 | 2017-01-23 | | 公開日 | 2018-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | Human Beta Secretase 1 In Complex With Ligand 32397778
to be published
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1AUJ
 | | BOVINE TRYPSIN COMPLEXED TO META-CYANO-BENZYLIC INHIBITOR | | 分子名称: | 1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-PYRROLIDINE-2-CARBONYL]-AMINO}-2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID, CALCIUM ION, TRYPSIN | | 著者 | Alexander, R, Smallwood, A, Kettner, C. | | 登録日 | 1997-08-28 | | 公開日 | 1998-10-14 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | New inhibitors of thrombin and other trypsin-like proteases: hydrogen bonding of an aromatic cyano group with a backbone amide of the P1 binding site replaces binding of a basic side chain.
Biochemistry, 36, 1997
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1AZ8
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8E2M
 | | Bruton's tyrosine kinase (BTK) with compound 13 | | 分子名称: | (5P)-5-[4-methyl-6-(2-methylpropyl)pyridin-3-yl]-4-oxo-N-[(1R,2S)-2-propanamidocyclopentyl]-4,5-dihydro-3H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide, TRIETHYLENE GLYCOL, Tyrosine-protein kinase BTK | | 著者 | Alexander, R, Milligan, C.M. | | 登録日 | 2022-08-15 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.904 Å) | | 主引用文献 | Discovery of JNJ-64264681: A Potent and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 65, 2022
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2P16
 | | Factor Xa in Complex with the Inhibitor APIXABAN (BMS-562247) AKA 1-(4-METHOXYPHENYL)-7-OXO-6-(4-(2-OXO-1-PIPERIDINYL)PHENYL)-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3, 4-C]PYRIDINE-3-CARBOXAMIDE | | 分子名称: | 1-(4-METHOXYPHENYL)-7-OXO-6-[4-(2-OXOPIPERIDIN-1-YL)PHENYL]-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-3-CARBOXAMIDE, CALCIUM ION, Coagulation factor X (EC 3.4.21.6) (Stuart factor) (Stuart-Prower factor) | | 著者 | Alexander, R. | | 登録日 | 2007-03-02 | | 公開日 | 2007-10-16 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery of 1-(4-Methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro- 1H-pyrazolo[3,4-c]pyridine-3-carboxamide (Apixaban, BMS-562247), a Highly Potent, Selective, Efficacious, and Orally Bioavailable Inhibitor of Blood Coagulation Factor Xa.
J.Med.Chem., 50, 2007
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1RD4
 | | An allosteric inhibitor of LFA-1 bound to its I-domain | | 分子名称: | 1-ACETYL-4-(4-{4-[(2-ETHOXYPHENYL)THIO]-3-NITROPHENYL}PYRIDIN-2-YL)PIPERAZINE, Integrin alpha-L | | 著者 | Crump, M.P, Ceska, T.A, Spyracopoulos, L, Henry, A, Archibald, S.C, Alexander, R, Taylor, R.J, Findlow, S.C, O'Connell, J, Robinson, M.K, Shock, A. | | 登録日 | 2003-11-05 | | 公開日 | 2004-03-30 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure of an allosteric inhibitor of LFA-1 bound to the I-domain studied by crystallography, NMR, and calorimetry
Biochemistry, 43, 2004
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5CLM
 | | 1,4-Oxazine BACE1 inhibitors | | 分子名称: | Beta-secretase 1, CHLORIDE ION, IODIDE ION, ... | | 著者 | Rombouts, F, Tresadern, G, Delgado, O, Martinez Lamenca, C, Van Gool, M, Garcia-Molina, A, Alonso De Diego, S, Oehlrich, D, Prokopcova, H, Alonso, J.M, Austin, N, Borghys, H, Van Brandt, S, Surkyn, M, De Cleyn, M, Vos, A, Alexander, R, MacDonald, G, Moechars, D, Trabanco, A, Gijsen, H. | | 登録日 | 2015-07-16 | | 公開日 | 2015-09-30 | | 最終更新日 | 2015-11-04 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | 1,4-Oxazine beta-Secretase 1 (BACE1) Inhibitors: From Hit Generation to Orally Bioavailable Brain Penetrant Leads.
J.Med.Chem., 58, 2015
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7K5M
 | | CRYSTAL STRUCTURE OF HBV CAPSID Y132A MUTANT IN COMPLEX WITH N-(3-chloro-4-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide AT 2.65A RESOLUTION | | 分子名称: | Capsid protein, ISOPROPYL ALCOHOL, N-(3-chloro-4-fluorophenyl)-3-phenyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide | | 著者 | Kuduk, S.D, Stoops, B, Alexander, R, Lam, A.M, Espiritu, C, Vogel, R, Lau, V, Klumpp, K, Flores, O.A, Hartman, G.D, Lukacs, C.M, Abendroth, J. | | 登録日 | 2020-09-17 | | 公開日 | 2021-07-28 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Identification of a new class of HBV capsid assembly modulator.
Bioorg.Med.Chem.Lett., 39, 2021
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1KIG
 | | BOVINE FACTOR XA | | 分子名称: | ANTICOAGULANT PEPTIDE, FACTOR XA | | 著者 | Wei, A, Alexander, R, Chang, C.-H. | | 登録日 | 1997-04-24 | | 公開日 | 1998-10-28 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Unexpected binding mode of tick anticoagulant peptide complexed to bovine factor Xa.
J.Mol.Biol., 283, 1998
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