4USE
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![BU of 4use by Molmil](/molmil-images/mine/4use) | Human STK10 (LOK) with SB-633825 | Descriptor: | 4-{5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[2-methyl-4-(methylsulfonyl)phenyl]-1H-imidazol-4-yl}pyridine, SERINE/THREONINE-PROTEIN KINASE 10 | Authors: | Elkins, J.M, Salah, E, Szklarz, M, von Delft, F, Canning, P, Raynor, J, Bountra, C, Edwards, A.M, Knapp, S. | Deposit date: | 2014-07-07 | Release date: | 2015-07-22 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Comprehensive Characterization of the Published Kinase Inhibitor Set. Nat.Biotechnol., 34, 2016
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8QKE
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![BU of 8qke by Molmil](/molmil-images/mine/8qke) | PvSub1 Catalytic Domain in Complex with Peptidomimetic Inhibitor (MH-13) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Peptidomimetic Inhibitor (MH-13), ... | Authors: | Batista, F.A, Martinez, M, Bouillon, A, Mechaly, A, Alzari, P.M, Haouz, A, Barale, J.C. | Deposit date: | 2023-09-15 | Release date: | 2024-03-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.504 Å) | Cite: | 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
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![BU of 8qkg by Molmil](/molmil-images/mine/8qkg) | PvSub1 Catalytic Domain in Complex with Peptidomimetic Inhibitor (MAM-125) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Peptidomimetic Inhibitor (MAM-125), ... | Authors: | Batista, F.A, Martinez, M, Bouillon, A, Mechaly, A, Alzari, P.M, Haouz, A, Barale, J.C. | Deposit date: | 2023-09-15 | Release date: | 2024-03-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.538 Å) | Cite: | 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
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![BU of 8qkj by Molmil](/molmil-images/mine/8qkj) | PvSub1 Catalytic Domain in Complex with Peptidomimetic Inhibitor (MAM-133) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Peptidomimetic Inhibitor (MAM-133), ... | Authors: | Batista, F.A, Martinez, M, Bouillon, A, Mechaly, A, Alzari, P.M, Haouz, A, Barale, J.C. | Deposit date: | 2023-09-15 | Release date: | 2024-03-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.767 Å) | Cite: | 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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![BU of 6p8n by Molmil](/molmil-images/mine/6p8n) | |
6H0W
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![BU of 6h0w by Molmil](/molmil-images/mine/6h0w) | Crystal Structure of KDM4D with tetrazolylhydrazide ligand NS035 | Descriptor: | (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, ... | Authors: | Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A. | Deposit date: | 2018-07-10 | Release date: | 2020-01-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Crystal Structure of KDM4D with tetrazolylhydrazide ligand NS035 To be published
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3MM0
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![BU of 3mm0 by Molmil](/molmil-images/mine/3mm0) | Crystal structure of chimeric avidin | Descriptor: | Avidin, Avidin-related protein 4/5 | Authors: | Livnah, O, Eisenberg-Domovich, Y, Maatta, J.A.E, Kulomaa, M.S, Hytonen, V.P, Nordlund, H.R. | Deposit date: | 2010-04-19 | Release date: | 2010-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Chimeric avidin shows stability against harsh chemical conditions-biochemical analysis and 3D structure. Biotechnol.Bioeng., 108, 2011
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6H2Q
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![BU of 6h2q by Molmil](/molmil-images/mine/6h2q) | Crystal Structure of Arg184Gln mutant of Human Prolidase with Mn ions and LeuPro ligand | Descriptor: | GLYCEROL, LEUCINE, MANGANESE (II) ION, ... | Authors: | Wilk, P, Piwowarczyk, R, Weiss, M.S. | Deposit date: | 2018-07-14 | Release date: | 2018-08-15 | Last modified: | 2020-04-22 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural basis for prolidase deficiency disease mechanisms. FEBS J., 285, 2018
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6QFP
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![BU of 6qfp by Molmil](/molmil-images/mine/6qfp) | |
6QED
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![BU of 6qed by Molmil](/molmil-images/mine/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 | Descriptor: | (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, ... | Authors: | Musil, D, Heinrich, T, Lehmann, M. | Deposit date: | 2019-01-07 | Release date: | 2019-05-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 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
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![BU of 6zm7 by Molmil](/molmil-images/mine/6zm7) | SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-EBP1 ribosome complex | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ... | Authors: | Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | Deposit date: | 2020-07-01 | Release date: | 2020-07-29 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2. Science, 369, 2020
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4UW6
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![BU of 4uw6 by Molmil](/molmil-images/mine/4uw6) | Human galectin-7 in complex with a galactose based dendron D3 | Descriptor: | DENDRON-D3, GALECTIN-7 | Authors: | Ramaswamy, S, Sleiman, M.H, Masuyer, G, Arbez-Gindre, C, Micha-Screttas, M, Calogeropoulou, T, Steele, B.R, Acharya, K.R. | Deposit date: | 2014-08-08 | Release date: | 2014-11-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7. FEBS J., 282, 2015
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6QEF
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![BU of 6qef by Molmil](/molmil-images/mine/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 | Descriptor: | (3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide, 1,2-ETHANEDIOL, GLYCEROL, ... | Authors: | Musil, D, Heinrich, T, Lehmann, M. | Deposit date: | 2019-01-07 | Release date: | 2019-05-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | 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
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![BU of 7a22 by Molmil](/molmil-images/mine/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 | Descriptor: | 1,2-ETHANEDIOL, 5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine, Casein kinase II subunit alpha' | Authors: | Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P. | Deposit date: | 2020-08-15 | Release date: | 2020-12-09 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | 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
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![BU of 7a4b by Molmil](/molmil-images/mine/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 | Descriptor: | 5,6-dibromo-1H-triazolo[4,5-b]pyridine, Casein kinase II subunit alpha, GLYCEROL, ... | Authors: | Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P. | Deposit date: | 2020-08-19 | Release date: | 2020-12-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | 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
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![BU of 6zme by Molmil](/molmil-images/mine/6zme) | SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-eERF1 ribosome complex | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ... | Authors: | Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | Deposit date: | 2020-07-02 | Release date: | 2020-08-12 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2. Science, 369, 2020
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6R7D
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![BU of 6r7d by Molmil](/molmil-images/mine/6r7d) | Crystal structure of LTC4S in complex with AZ13690257 | Descriptor: | (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, ... | Authors: | Kack, H, Ek, M. | Deposit date: | 2019-03-28 | Release date: | 2019-08-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | 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
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![BU of 6h8e by Molmil](/molmil-images/mine/6h8e) | Truncated derivative of the C-terminal domain of the TssA component of the type VI secretion system from Burkholderia cenocepacia | Descriptor: | Type VI secretion protein ImpA | Authors: | 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. | Deposit date: | 2018-08-02 | Release date: | 2018-11-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural insights into the function of type VI secretion system TssA subunits. Nat Commun, 9, 2018
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6R81
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![BU of 6r81 by Molmil](/molmil-images/mine/6r81) | Multidrug resistance transporter BmrA mutant E504A bound with ATP and Mg solved by Cryo-EM | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Lipid A export ATP-binding/permease protein MsbA, MAGNESIUM ION | Authors: | Wiseman, B, Chaptal, V, Zampieri, V, Magnard, S, Hogbom, M, Falson, P. | Deposit date: | 2019-03-30 | Release date: | 2020-05-06 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | 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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![BU of 6r9h by Molmil](/molmil-images/mine/6r9h) | Crystal structure of the PDZ tandem of syntenin in complex with fragment C58 | Descriptor: | (2~{S})-2-[2-(4-chlorophenyl)sulfanylethanoylamino]-3-methyl-butanoic acid, ACETATE ION, PHOSPHATE ION, ... | Authors: | Feracci, M, Barral, K. | Deposit date: | 2019-04-03 | Release date: | 2021-02-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Pharmacological inhibition of syntenin PDZ2 domain impairs breast cancer cell activities and exosome loadifing with syndecan and EpCAM cargo. J Extracell Vesicles, 10, 2020
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6ZMT
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![BU of 6zmt by Molmil](/molmil-images/mine/6zmt) | SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | Authors: | Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | Deposit date: | 2020-07-03 | Release date: | 2020-08-19 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2. Science, 369, 2020
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6ZPR
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![BU of 6zpr by Molmil](/molmil-images/mine/6zpr) | Solution structure of MLKL executioner domain in complex with a covalent inhibitor | Descriptor: | 7-(2-methoxyethoxymethyl)-1,3-dimethyl-purine-2,6-dione, Mixed lineage kinase domain-like protein,Mixed lineage kinase domain-like protein | Authors: | Ruebbelke, M, Bauer, M, Hamilton, J, Binder, F, Nar, H, Zeeb, M. | Deposit date: | 2020-07-09 | Release date: | 2020-12-16 | Last modified: | 2021-01-06 | Method: | SOLUTION NMR | Cite: | 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
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![BU of 3mnn by Molmil](/molmil-images/mine/3mnn) | A Ruthenium Antitumour Agent Forms Specific Histone Protein Adducts in the Nucleosome Core | Descriptor: | 1,3,5-triaza-7-phosphatricyclo[3.3.1.1~3,7~]decane, 1-methyl-4-(1-methylethyl)benzene, DNA (145-MER), ... | Authors: | Ong, M.S, Davey, C.A. | Deposit date: | 2010-04-22 | Release date: | 2011-04-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A ruthenium antimetastasis agent forms specific histone protein adducts in the nucleosome core Chemistry, 17, 2011
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7A2D
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![BU of 7a2d by Molmil](/molmil-images/mine/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 | Descriptor: | Uncharacterized protein YraP | Authors: | 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. | Deposit date: | 2020-08-17 | Release date: | 2020-12-30 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure of dual BON-domain protein DolP identifies phospholipid binding as a new mechanism for protein localisation. Elife, 9, 2020
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