3SVJ
 
 | | Strep Peptide Deformylase with a time dependent thiazolidine amide | | 分子名称: | (4R)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-N-methyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, NICKEL (II) ION, ... | | 著者 | Campobasso, N, Ward, P. | | 登録日 | 2011-07-12 | | 公開日 | 2011-07-27 | | 最終更新日 | 2014-11-12 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Understanding the origins of time-dependent inhibition by polypeptide deformylase inhibitors.
Biochemistry, 50, 2011
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4NEU
 | | X-ray structure of Receptor Interacting Protein 1 (RIP1)kinase domain with a 1-aminoisoquinoline inhibitor | | 分子名称: | 1-[4-(1-aminoisoquinolin-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea, MAGNESIUM ION, Receptor-interacting serine/threonine-protein kinase 1 | | 著者 | Nolte, R.T, Ward, P, kahler, K.M, Campobasso, N. | | 登録日 | 2013-10-30 | | 公開日 | 2013-11-20 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | Discovery of Small Molecule RIP1 Kinase Inhibitors for the Treatment of Pathologies Associated with Necroptosis.
ACS Med Chem Lett, 4, 2013
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4A4M
 | | Crystal structure of the light-activated constitutively active N2C, M257Y,D282C rhodopsin mutant in complex with a peptide resembling the C-terminus of the Galpha-protein subunit (GaCT) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GUANINE NUCLEOTIDE-BINDING PROTEIN G(T) SUBUNIT ALPHA-3, ... | | 著者 | Deupi, X, Edwards, P, Singhal, A, Nickle, B, Oprian, D.D, Schertler, G.F.X, Standfuss, J. | | 登録日 | 2011-10-17 | | 公開日 | 2012-01-25 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Stabilized G Protein Binding Site in the Structure of Constitutively Active Metarhodopsin-II.
Proc.Natl.Acad.Sci.USA, 109, 2012
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1QXX
 | | CRYSTAL STRUCTURE OF THE C-TERMINAL DOMAIN OF TONB | | 分子名称: | TonB protein | | 著者 | Koedding, J, Howard, P, Kaufmann, L, Polzer, P, Lustig, A, Welte, W. | | 登録日 | 2003-09-09 | | 公開日 | 2004-04-06 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Dimerization of TonB is not essential for its binding to the outer membrane siderophore receptor FhuA of Escherichia coli.
J.Biol.Chem., 279, 2004
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1YYH
 | | Crystal structure of the human Notch 1 ankyrin domain | | 分子名称: | Notch 1, ankyrin domain | | 著者 | Ehebauer, M.T, Chirgadze, D.Y, Hayward, P, Martinez-Arias, A, Blundell, T.L. | | 登録日 | 2005-02-25 | | 公開日 | 2005-08-16 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | | 主引用文献 | High-resolution crystal structure of the human Notch 1 ankyrin domain
Biochem.J., 392, 2005
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1KAS
 | | BETA-KETOACYL-ACP SYNTHASE II FROM ESCHERICHIA COLI | | 分子名称: | BETA-KETOACYL ACP SYNTHASE II | | 著者 | Huang, W, Jia, J, Edwards, P, Dehesh, K, Schneider, G, Lindqvist, Y. | | 登録日 | 1997-12-22 | | 公開日 | 1999-03-02 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal structure of beta-ketoacyl-acyl carrier protein synthase II from E.coli reveals the molecular architecture of condensing enzymes.
EMBO J., 17, 1998
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1E5M
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1B3N
 | | BETA-KETOACYL CARRIER PROTEIN SYNTHASE AS A DRUG TARGET, IMPLICATIONS FROM THE CRYSTAL STRUCTURE OF A COMPLEX WITH THE INHIBITOR CERULENIN. | | 分子名称: | (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, PROTEIN (KETOACYL ACYL CARRIER PROTEIN SYNTHASE 2) | | 著者 | Moche, M, Schneider, G, Edwards, P, Dehesh, K, Lindqvist, Y. | | 登録日 | 1998-12-14 | | 公開日 | 1999-04-06 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Structure of the complex between the antibiotic cerulenin and its target, beta-ketoacyl-acyl carrier protein synthase.
J.Biol.Chem., 274, 1999
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7OAQ
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7OAO
 | | Nanobody C5 bound to RBD | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, C5 nanobody, ... | | 著者 | Naismith, J.H, Mikolajek, H. | | 登録日 | 2021-04-19 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
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7OAP
 | | Nanobody H3 AND C1 bound to RBD | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C1 nanobody, CHLORIDE ION, ... | | 著者 | Naismith, J.H, Mikolajek, H. | | 登録日 | 2021-04-19 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | | 主引用文献 | A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
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7OAN
 | | Nanobody C5 bound to Spike | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | 著者 | Naismith, J.H, Weckener, M. | | 登録日 | 2021-04-19 | | 公開日 | 2021-08-11 | | 最終更新日 | 2021-10-06 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
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7OAY
 | | Nanobody F2 bound to RBD | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, F2 nanobody, Spike protein S1 | | 著者 | Naismith, J.H, Mikolajek, H. | | 登録日 | 2021-04-20 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
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7OAU
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7T0O
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7T0R
 | | Crystal structure of the anti-CD4 adnectin 6940_B01 as a complex with the extracellular domains of CD4 and ibalizumab fAb | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Adnectin 6940_B01, Ibalizumab Heavy Chain, ... | | 著者 | Williams, S.P, Concha, N.O, Wensel, D.L, Hong, X. | | 登録日 | 2021-11-30 | | 公開日 | 2022-01-12 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.65 Å) | | 主引用文献 | Novel Bent Conformation of CD4 Induced by HIV-1 Inhibitor Indirectly Prevents Productive Viral Attachment.
J.Mol.Biol., 434, 2021
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6NPE
 | | C-abl Kinase domain with the activator(cmpd6), 2-cyano-N-(4-(3,4-dichlorophenyl)thiazol-2-yl)acetamide | | 分子名称: | 2-cyano-~{N}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, NONAETHYLENE GLYCOL, ... | | 著者 | campobasso, N. | | 登録日 | 2019-01-17 | | 公開日 | 2019-03-13 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
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6NPV
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6NPU
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3E8D
 | | Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors | | 分子名称: | 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, Glycogen synthase kinase-3 beta peptide, RAC-beta serine/threonine-protein kinase | | 著者 | Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P. | | 登録日 | 2008-08-19 | | 公開日 | 2008-10-14 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
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3E8E
 | | Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors | | 分子名称: | 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, PKI inhibitor peptide, cAMP-dependent protein kinase catalytic subunit alpha | | 著者 | Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P. | | 登録日 | 2008-08-19 | | 公開日 | 2008-11-18 | | 最終更新日 | 2017-10-25 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
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6OCQ
 | | Crystal structure of RIP1 kinase in complex with a pyrrolidine | | 分子名称: | 1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one, Receptor-interacting serine/threonine-protein kinase 1, SULFATE ION | | 著者 | Thorpe, J.H, Harris, P.A. | | 登録日 | 2019-03-25 | | 公開日 | 2019-05-08 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.793 Å) | | 主引用文献 | Discovery and Lead-Optimization of 4,5-Dihydropyrazoles as Mono-Kinase Selective, Orally Bioavailable and Efficacious Inhibitors of Receptor Interacting Protein 1 (RIP1) Kinase.
J.Med.Chem., 62, 2019
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4YKN
 | | Pi3K alpha lipid kinase with Active Site Inhibitor | | 分子名称: | 3-(6-methoxypyridin-3-yl)-5-[({4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}amino)methyl]benzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha,Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform fusion protein | | 著者 | Elkins, P.A. | | 登録日 | 2015-03-04 | | 公開日 | 2015-06-17 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Discovery of a Potent Class of PI3K alpha Inhibitors with Unique Binding Mode via Encoded Library Technology (ELT).
Acs Med.Chem.Lett., 6, 2015
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6N69
 | | rat hPGDS complexed with a quinoline | | 分子名称: | GLUTATHIONE, Hematopoietic prostaglandin D synthase, quinoline-3-carbonitrile | | 著者 | Shewchuk, L.M, Cleasby, A. | | 登録日 | 2018-11-26 | | 公開日 | 2019-03-27 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The discovery of quinoline-3-carboxamides as hematopoietic prostaglandin D synthase (H-PGDS) inhibitors.
Bioorg. Med. Chem., 27, 2019
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6R5F
 | | Crystal structure of RIP1 kinase in complex with DHP77 | | 分子名称: | Receptor-interacting serine/threonine-protein kinase 1, [(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone | | 著者 | Thorpe, J.H, Campobasso, N, Harris, P.A. | | 登録日 | 2019-03-25 | | 公開日 | 2019-05-01 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | | 主引用文献 | Discovery and Lead-Optimization of 4,5-Dihydropyrazoles as Mono-Kinase Selective, Orally Bioavailable and Efficacious Inhibitors of Receptor Interacting Protein 1 (RIP1) Kinase.
J.Med.Chem., 62, 2019
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