4USE
 
 | | Human STK10 (LOK) with SB-633825 | | 分子名称: | 4-{5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[2-methyl-4-(methylsulfonyl)phenyl]-1H-imidazol-4-yl}pyridine, SERINE/THREONINE-PROTEIN KINASE 10 | | 著者 | Elkins, J.M, Salah, E, Szklarz, M, von Delft, F, Canning, P, Raynor, J, Bountra, C, Edwards, A.M, Knapp, S. | | 登録日 | 2014-07-07 | | 公開日 | 2015-07-22 | | 最終更新日 | 2018-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Comprehensive Characterization of the Published Kinase Inhibitor Set.
Nat.Biotechnol., 34, 2016
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8QKE
 | | PvSub1 Catalytic Domain in Complex with Peptidomimetic Inhibitor (MH-13) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Peptidomimetic Inhibitor (MH-13), ... | | 著者 | Batista, F.A, Martinez, M, Bouillon, A, Mechaly, A, Alzari, P.M, Haouz, A, Barale, J.C. | | 登録日 | 2023-09-15 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.504 Å) | | 主引用文献 | Insights from structure-activity relationships and the binding mode of peptidic alpha-ketoamide inhibitors of the malaria drug target subtilisin-like SUB1.
Eur.J.Med.Chem., 269, 2024
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8QKG
 | | PvSub1 Catalytic Domain in Complex with Peptidomimetic Inhibitor (MAM-125) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Peptidomimetic Inhibitor (MAM-125), ... | | 著者 | Batista, F.A, Martinez, M, Bouillon, A, Mechaly, A, Alzari, P.M, Haouz, A, Barale, J.C. | | 登録日 | 2023-09-15 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.538 Å) | | 主引用文献 | Insights from structure-activity relationships and the binding mode of peptidic alpha-ketoamide inhibitors of the malaria drug target subtilisin-like SUB1.
Eur.J.Med.Chem., 269, 2024
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8QKJ
 | | PvSub1 Catalytic Domain in Complex with Peptidomimetic Inhibitor (MAM-133) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Peptidomimetic Inhibitor (MAM-133), ... | | 著者 | Batista, F.A, Martinez, M, Bouillon, A, Mechaly, A, Alzari, P.M, Haouz, A, Barale, J.C. | | 登録日 | 2023-09-15 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.767 Å) | | 主引用文献 | Insights from structure-activity relationships and the binding mode of peptidic alpha-ketoamide inhibitors of the malaria drug target subtilisin-like SUB1.
Eur.J.Med.Chem., 269, 2024
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6P8N
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6H0W
 | | Crystal Structure of KDM4D with tetrazolylhydrazide ligand NS035 | | 分子名称: | (2~{R})-3-phenyl-2-(2~{H}-1,2,3,4-tetrazol-5-yl)propanehydrazide, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A. | | 登録日 | 2018-07-10 | | 公開日 | 2020-01-29 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | | 主引用文献 | Crystal Structure of KDM4D with tetrazolylhydrazide ligand NS035
To be published
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3MM0
 | | Crystal structure of chimeric avidin | | 分子名称: | Avidin, Avidin-related protein 4/5 | | 著者 | Livnah, O, Eisenberg-Domovich, Y, Maatta, J.A.E, Kulomaa, M.S, Hytonen, V.P, Nordlund, H.R. | | 登録日 | 2010-04-19 | | 公開日 | 2010-10-27 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Chimeric avidin shows stability against harsh chemical conditions-biochemical analysis and 3D structure.
Biotechnol.Bioeng., 108, 2011
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6H2Q
 | | Crystal Structure of Arg184Gln mutant of Human Prolidase with Mn ions and LeuPro ligand | | 分子名称: | GLYCEROL, LEUCINE, MANGANESE (II) ION, ... | | 著者 | Wilk, P, Piwowarczyk, R, Weiss, M.S. | | 登録日 | 2018-07-14 | | 公開日 | 2018-08-15 | | 最終更新日 | 2020-04-22 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Structural basis for prolidase deficiency disease mechanisms.
FEBS J., 285, 2018
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6QFP
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6QED
 | | CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX; WITH AN INHIBITOR (S)-3-Hydroxy-2-oxo-1-(2-oxo-1,2,3,4-tetrahydro-quinolin-6-yl)-pyrrolidine-3-carboxylic acid 3-chloro-5-fluoro-benzylamide | | 分子名称: | (3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)pyrrolidine-3-carboxamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | | 著者 | Musil, D, Heinrich, T, Lehmann, M. | | 登録日 | 2019-01-07 | | 公開日 | 2019-05-01 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery and Structure-Based Optimization of Next-Generation Reversible Methionine Aminopeptidase-2 (MetAP-2) Inhibitors.
J.Med.Chem., 62, 2019
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6ZM7
 | | SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-EBP1 ribosome complex | | 分子名称: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ... | | 著者 | Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | | 登録日 | 2020-07-01 | | 公開日 | 2020-07-29 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
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4UW6
 | | Human galectin-7 in complex with a galactose based dendron D3 | | 分子名称: | DENDRON-D3, GALECTIN-7 | | 著者 | Ramaswamy, S, Sleiman, M.H, Masuyer, G, Arbez-Gindre, C, Micha-Screttas, M, Calogeropoulou, T, Steele, B.R, Acharya, K.R. | | 登録日 | 2014-08-08 | | 公開日 | 2014-11-12 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7.
FEBS J., 282, 2015
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6QEF
 | | CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR (S)-3-Hydroxy-2-oxo-1-phenyl-pyrrolidine-3-carboxylic acid 3-chloro-5-fluoro-benzylamide | | 分子名称: | (3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide, 1,2-ETHANEDIOL, GLYCEROL, ... | | 著者 | Musil, D, Heinrich, T, Lehmann, M. | | 登録日 | 2019-01-07 | | 公開日 | 2019-05-01 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Discovery and Structure-Based Optimization of Next-Generation Reversible Methionine Aminopeptidase-2 (MetAP-2) Inhibitors.
J.Med.Chem., 62, 2019
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6QH2
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7A22
 | | Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 5,6,7-tribromo-1H-triazolo[4,5-b]pyridine | | 分子名称: | 1,2-ETHANEDIOL, 5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine, Casein kinase II subunit alpha' | | 著者 | Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P. | | 登録日 | 2020-08-15 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.01 Å) | | 主引用文献 | Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
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7A4B
 | | Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the ATP-competitive inhibitor 5,6-dibromo-1H-triazolo[4,5-b]pyridine | | 分子名称: | 5,6-dibromo-1H-triazolo[4,5-b]pyridine, Casein kinase II subunit alpha, GLYCEROL, ... | | 著者 | Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P. | | 登録日 | 2020-08-19 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
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6ZME
 | | SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-eERF1 ribosome complex | | 分子名称: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ... | | 著者 | Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | | 登録日 | 2020-07-02 | | 公開日 | 2020-08-12 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
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6R7D
 | | Crystal structure of LTC4S in complex with AZ13690257 | | 分子名称: | (1~{S},2~{S})-2-[5-[cyclopropylmethyl(naphthalen-1-yl)amino]-4-methoxy-pyrimidin-2-yl]carbonylcyclopropane-1-carboxylic acid, DODECYL-BETA-D-MALTOSIDE, Leukotriene C4 synthase, ... | | 著者 | Kack, H, Ek, M. | | 登録日 | 2019-03-28 | | 公開日 | 2019-08-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Discovery of the Oral Leukotriene C4 Synthase Inhibitor (1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-3-methoxypyrazin-2-yl}carbonyl)cyclopropanecarboxylic Acid (AZD9898) as a New Treatment for Asthma.
J.Med.Chem., 62, 2019
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6H8E
 | | Truncated derivative of the C-terminal domain of the TssA component of the type VI secretion system from Burkholderia cenocepacia | | 分子名称: | Type VI secretion protein ImpA | | 著者 | Dix, S.R, Owen, H.J, Sun, R, Ahmad, A, Shastri, S, Spiewak, H.L, Mosby, D.J, Harris, M.J, Batters, S.L, Brooker, T.A, Tzokov, S.B, Sedelnikova, S.E, Baker, P.J, Bullough, P.A, Rice, D.W, Thomas, M.S. | | 登録日 | 2018-08-02 | | 公開日 | 2018-11-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structural insights into the function of type VI secretion system TssA subunits.
Nat Commun, 9, 2018
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6R81
 | | Multidrug resistance transporter BmrA mutant E504A bound with ATP and Mg solved by Cryo-EM | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Lipid A export ATP-binding/permease protein MsbA, MAGNESIUM ION | | 著者 | Wiseman, B, Chaptal, V, Zampieri, V, Magnard, S, Hogbom, M, Falson, P. | | 登録日 | 2019-03-30 | | 公開日 | 2020-05-06 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Substrate-bound and substrate-free outward-facing structures of a multidrug ABC exporter.
Sci Adv, 8, 2022
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6R9H
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6ZMT
 | | SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex | | 分子名称: | 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | | 著者 | Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | | 登録日 | 2020-07-03 | | 公開日 | 2020-08-19 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
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6ZPR
 | | Solution structure of MLKL executioner domain in complex with a covalent inhibitor | | 分子名称: | 7-(2-methoxyethoxymethyl)-1,3-dimethyl-purine-2,6-dione, Mixed lineage kinase domain-like protein,Mixed lineage kinase domain-like protein | | 著者 | Ruebbelke, M, Bauer, M, Hamilton, J, Binder, F, Nar, H, Zeeb, M. | | 登録日 | 2020-07-09 | | 公開日 | 2020-12-16 | | 最終更新日 | 2021-01-06 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Locking mixed-lineage kinase domain-like protein in its auto-inhibited state prevents necroptosis.
Proc.Natl.Acad.Sci.USA, 117, 2020
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3MNN
 | | A Ruthenium Antitumour Agent Forms Specific Histone Protein Adducts in the Nucleosome Core | | 分子名称: | 1,3,5-triaza-7-phosphatricyclo[3.3.1.1~3,7~]decane, 1-methyl-4-(1-methylethyl)benzene, DNA (145-MER), ... | | 著者 | Ong, M.S, Davey, C.A. | | 登録日 | 2010-04-22 | | 公開日 | 2011-04-06 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | A ruthenium antimetastasis agent forms specific histone protein adducts in the nucleosome core
Chemistry, 17, 2011
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7A2D
 | | Structure-function analyses of dual-BON domain protein DolP identifies phospholipid binding as a new mechanism for protein localisation to the cell division site | | 分子名称: | Uncharacterized protein YraP | | 著者 | Bryant, J.A, Morris, F.C, Knowles, T.J, Maderbocus, R, Heinz, E, Boelter, G, Alodaini, D, Colyer, A, Wotherspoon, P.J, Staunton, K.A, Jeeves, M, Browning, D.F, Sevastsyanovich, Y.R, Wells, T.J, Rossiter, A.E, Bavro, V.N, Sridhar, P, Ward, D.G, Chong, Z.S, Goodall, E.C.A, Icke, C, Teo, A, Chng, S.S, Roper, D.I, Lithgow, T, Cunningham, A.F, Banzhaf, M, Overduin, M, Henderson, I.R. | | 登録日 | 2020-08-17 | | 公開日 | 2020-12-30 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure of dual BON-domain protein DolP identifies phospholipid binding as a new mechanism for protein localisation.
Elife, 9, 2020
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