2WRB
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![BU of 2wrb by Molmil](/molmil-images/mine/2wrb) | the structure of influenza H2 human singapore hemagglutinin with avian receptor | Descriptor: | HEMAGGLUTININ, N-acetyl-alpha-neuraminic acid | Authors: | Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2009-09-01 | Release date: | 2009-09-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957. Proc.Natl.Acad.Sci.USA, 106, 2009
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7A06
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![BU of 7a06 by Molmil](/molmil-images/mine/7a06) | Structure of human CKa1 in complex with compound o | Descriptor: | 1,2-ETHANEDIOL, 1-[(4-phenylphenyl)methyl]-4-pyrrolidin-1-yl-pyridine, Choline kinase alpha | Authors: | Serran-Aguilera, L, Mariotto, E, Rubbini, G, Castro Navas, F.C, Marco, C, Carrasco-Jimenez, M.P, Ballarotto, M, Macchiarulo, A, Hurtado-Guerrero, R, Viola, G, Lopez-Cara, L.C. | Deposit date: | 2020-08-06 | Release date: | 2020-09-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthesis, biological evaluation, in silico modeling and crystallization of novel small monocationic molecules with potent antiproliferative activity by dual mechanism. Eur.J.Med.Chem., 207, 2020
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1NGU
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![BU of 1ngu by Molmil](/molmil-images/mine/1ngu) | NMR Structure of Putative 3'Terminator for B. Anthracis pagA Gene Noncoding Strand | Descriptor: | 5'-D(*CP*TP*CP*TP*CP*CP*TP*TP*GP*TP*AP*TP*TP*TP*CP*TP*TP*AP*CP*AP*AP*AP*AP*AP*GP*AP*G)-3' | Authors: | Shiflett, P.R, Taylor-McCabe, K.J, Michalczyk, R, Silks, L.A, Gupta, G. | Deposit date: | 2002-12-17 | Release date: | 2003-06-10 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural Studies on the Hairpins at the 3' Untranslated Region of an Anthrax Toxin Gene Biochemistry, 42, 2003
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4YAB
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![BU of 4yab by Molmil](/molmil-images/mine/4yab) | Crystal structure of TRIM24 PHD-bromodomain complexed with 1-methyl-5-(2-methyl-1 3-thiazol-4-yl)-2 3-dihydro-1H-indol-2-one (1) | Descriptor: | 1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydro-2H-indol-2-one, SULFATE ION, Transcription intermediary factor 1-alpha, ... | Authors: | Poncet-Montange, G, Palmer, W, Jones, P. | Deposit date: | 2015-02-17 | Release date: | 2015-06-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor. J.Med.Chem., 59, 2016
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1NCC
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![BU of 1ncc by Molmil](/molmil-images/mine/1ncc) | CRYSTAL STRUCTURES OF TWO MUTANT NEURAMINIDASE-ANTIBODY COMPLEXES WITH AMINO ACID SUBSTITUTIONS IN THE INTERFACE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, IGG2A-KAPPA NC41 FAB (HEAVY CHAIN), ... | Authors: | Tulip, W.R, Varghese, J.N, Colman, P.M. | Deposit date: | 1992-01-21 | Release date: | 1994-01-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of two mutant neuraminidase-antibody complexes with amino acid substitutions in the interface. J.Mol.Biol., 227, 1992
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4YAD
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![BU of 4yad by Molmil](/molmil-images/mine/4yad) | Crystal structure of TRIM24 PHD-bromodomain complexed with 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzene-1-sulfonamide (3b) | Descriptor: | 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide, CHLORIDE ION, GLYCEROL, ... | Authors: | Poncet-Montange, G, Palmer, W, Jones, P. | Deposit date: | 2015-02-17 | Release date: | 2015-06-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor. J.Med.Chem., 59, 2016
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3J4J
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![BU of 3j4j by Molmil](/molmil-images/mine/3j4j) | Model of full-length T. thermophilus Translation Initiation Factor 2 refined against its cryo-EM density from a 30S Initiation Complex map | Descriptor: | Translation initiation factor IF-2 | Authors: | Simonetti, A, Marzi, S, Billas, I.M.L, Tsai, A, Fabbretti, A, Myasnikov, A, Roblin, P, Vaiana, A.C, Hazemann, I, Eiler, D, Steitz, T.A, Puglisi, J.D, Gualerzi, C.O, Klaholz, B.P. | Deposit date: | 2013-08-26 | Release date: | 2013-09-25 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (11.5 Å) | Cite: | Involvement of protein IF2 N domain in ribosomal subunit joining revealed from architecture and function of the full-length initiation factor. Proc.Natl.Acad.Sci.USA, 110, 2013
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1S4O
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![BU of 1s4o by Molmil](/molmil-images/mine/1s4o) | Crystal structure of yeast alpha1,2-mannosyltransferase Kre2p/Mnt1p: binary complex with GDP/Mn | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Lobsanov, Y.D, Romero, P.A, Sleno, B, Yu, B, Yip, P, Herscovics, A, Howell, P.L. | Deposit date: | 2004-01-16 | Release date: | 2004-05-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structure of Kre2p/Mnt1p: A YEAST {alpha}1,2-MANNOSYLTRANSFERASE INVOLVED IN MANNOPROTEIN BIOSYNTHESIS J.Biol.Chem., 279, 2004
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3GCL
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![BU of 3gcl by Molmil](/molmil-images/mine/3gcl) | Mode of ligand binding and assignment of subsites in mammalian peroxidases: crystal structure of lactoperoxidase complexes with acetyl salycylic acid, salicylhydroxamic acid and benzylhydroxamic acid | Descriptor: | 2-(ACETYLOXY)BENZOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Singh, A.K, Singh, N, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2009-02-22 | Release date: | 2009-03-31 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Binding modes of aromatic ligands to mammalian heme peroxidases with associated functional implications: crystal structures of lactoperoxidase complexes with acetylsalicylic acid, salicylhydroxamic acid, and benzylhydroxamic acid J.Biol.Chem., 284, 2009
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1NG3
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![BU of 1ng3 by Molmil](/molmil-images/mine/1ng3) | Complex of ThiO (glycine oxidase) with acetyl-glycine | Descriptor: | ACETYLAMINO-ACETIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Glycine oxidase, ... | Authors: | Settembre, E.C, Dorrestein, P.C, Park, J, Augustine, A, Begley, T.P, Ealick, S.E. | Deposit date: | 2002-12-16 | Release date: | 2003-04-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and Mechanistic Studies on ThiO, a Glycine Oxidase Essential for Thiamin Biosynthesis in Bacillus subtilis Biochemistry, 42, 2003
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4YEF
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![BU of 4yef by Molmil](/molmil-images/mine/4yef) | beta1 carbohydrate binding module (CBM) of AMP-activated protein kinase (AMPK) in complex with glucosyl-beta-cyclododextrin | Descriptor: | 5'-AMP-activated protein kinase subunit beta-1, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), GLYCEROL, ... | Authors: | Mobbs, J, Gorman, M.A, Parker, M.W, Gooley, P.R, Griffin, M. | Deposit date: | 2015-02-24 | Release date: | 2015-06-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Determinants of oligosaccharide specificity of the carbohydrate-binding modules of AMP-activated protein kinase. Biochem.J., 468, 2015
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5YMX
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![BU of 5ymx by Molmil](/molmil-images/mine/5ymx) | Myxococcus xanthus MglA in GDP bound conformation | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Baranwal, J, Gayathri, P. | Deposit date: | 2017-10-22 | Release date: | 2018-10-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Allosteric regulation of a prokaryotic small Ras-like GTPase contributes to cell polarity oscillations in bacterial motility. Plos Biol., 17, 2019
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3BBX
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4CFZ
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![BU of 4cfz by Molmil](/molmil-images/mine/4cfz) | SAVINASE CRYSTAL STRUCTURES FOR COMBINED SINGLE CRYSTAL DIFFRACTION AND POWDER DIFFRACTION ANALYSIS | Descriptor: | CALCIUM ION, SODIUM ION, SUBTILISIN SAVINASE, ... | Authors: | Frankaer, C.G, Moroz, O.V, Turkenburg, J.P, Aspmo, S.I, Thymark, M, Friis, E.P, Stahla, K, Nielsen, J.E, Wilson, K.S, Harris, P. | Deposit date: | 2013-11-19 | Release date: | 2014-04-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Analysis of an Industrial Production Suspension of Bacillus Lentus Subtilisin Crystals by Powder Diffraction: A Powerful Quality-Control Tool. Acta Crystallogr.,Sect.D, 70, 2014
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2N4M
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![BU of 2n4m by Molmil](/molmil-images/mine/2n4m) | Base-displaced intercalated structure of the N-(2'deoxyguanosin-8-yl)-3-aminobenzanthrone DNA adduct | Descriptor: | DNA (5'-D(*AP*CP*AP*AP*AP*CP*AP*CP*GP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*CP*(4E9)P*TP*GP*TP*TP*TP*GP*T)-3') | Authors: | Politica, D.A, Stone, M.P, Malik, C.K, Basu, A.K. | Deposit date: | 2015-06-23 | Release date: | 2016-07-06 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Base-Displaced Intercalated Structure of the N-(2'-Deoxyguanosin-8-yl)-3-aminobenzanthrone DNA Adduct. Chem.Res.Toxicol., 28, 2015
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7BNP
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![BU of 7bnp by Molmil](/molmil-images/mine/7bnp) | |
7QUN
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![BU of 7qun by Molmil](/molmil-images/mine/7qun) | CryoEM structure of mammalian AAP in complex with Meropenem | Descriptor: | (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Acylamino-acid-releasing enzyme | Authors: | Kiss-Szeman, A.J, Harmat, V, Straner, P, Jakli, I, Menyhard, K.D, Masiulis, S, Perczel, A. | Deposit date: | 2022-01-18 | Release date: | 2022-11-16 | Last modified: | 2023-02-01 | Method: | ELECTRON MICROSCOPY (2.1 Å) | Cite: | A carbapenem antibiotic inhibiting a mammalian serine protease: structure of the acylaminoacyl peptidase-meropenem complex. Chem Sci, 13, 2022
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4CMH
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![BU of 4cmh by Molmil](/molmil-images/mine/4cmh) | Crystal structure of CD38 with a novel CD38-targeting antibody SAR650984 | Descriptor: | ADP-RIBOSYL CYCLASE 1, HEAVY CHAIN OF SAR650984-FAB FRAGMENT, LIGHT CHAIN OF SAR650984-FAB FRAGMENT | Authors: | Deckert, J, Wetzel, M.C, Park, P.U, Bartle, L.M, Skaletskaya, A, Goldmacher, V, Vallee, F, ZhouLiu, Q, Ferrari, P, Pouzieux, S, Lahoute, C, Dumontet, C, Plesa, A, Chiron, M, Lejeune, P, Chittenden, T, Blanc, V. | Deposit date: | 2014-01-15 | Release date: | 2014-07-16 | Last modified: | 2018-10-24 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | SAR650984, a novel humanized CD38-targeting antibody, demonstrates potent antitumor activity in models of multiple myeloma and other CD38+ hematologic malignancies. Clin. Cancer Res., 20, 2014
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7QI0
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![BU of 7qi0 by Molmil](/molmil-images/mine/7qi0) | Crystal structure of KLK6 in complex with compound DKFZ918 | Descriptor: | (5~{R})-3-(6-carbamimidoylpyridin-3-yl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide, Kallikrein-6 | Authors: | Jagtap, P.K.A, Baumann, A, Lohbeck, J, Isak, D, Miller, A, Hennig, J. | Deposit date: | 2021-12-14 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Scalable synthesis and structural characterization of reversible KLK6 inhibitors. Rsc Adv, 12, 2022
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2MSC
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![BU of 2msc by Molmil](/molmil-images/mine/2msc) | NMR data-driven model of GTPase KRas-GDP tethered to a lipid-bilayer nanodisc | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, GTPase KRas, ... | Authors: | Mazhab-Jafari, M, Stathopoulos, P, Marshall, C, Ikura, M. | Deposit date: | 2014-07-29 | Release date: | 2015-06-03 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Oncogenic and RASopathy-associated K-RAS mutations relieve membrane-dependent occlusion of the effector-binding site. Proc.Natl.Acad.Sci.USA, 112, 2015
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6MZP
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6N0A
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![BU of 6n0a by Molmil](/molmil-images/mine/6n0a) | Structure of the major pilin protein (T-18.1) from Streptococcus pyogenes serotype MGAS8232 | Descriptor: | CALCIUM ION, Major pilin backbone protein T-antigen | Authors: | Young, P.G, Raynes, J.M, Loh, J.M, Proft, T, Baker, E.N, Moreland, N.J. | Deposit date: | 2018-11-06 | Release date: | 2019-04-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Group AStreptococcusT Antigens Have a Highly Conserved Structure Concealed under a Heterogeneous Surface That Has Implications for Vaccine Design. Infect.Immun., 87, 2019
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7Q8O
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![BU of 7q8o by Molmil](/molmil-images/mine/7q8o) | Peptide LLSGKE in complex with human cathepsin V C25S mutant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ... | Authors: | Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D. | Deposit date: | 2021-11-11 | Release date: | 2022-11-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins. Commun Biol, 6, 2023
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2W9Z
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![BU of 2w9z by Molmil](/molmil-images/mine/2w9z) | Crystal Structure of CDK4 in complex with a D-type cyclin | Descriptor: | CELL DIVISION PROTEIN KINASE 4, G1/S-SPECIFIC CYCLIN-D1 | Authors: | Day, P.J, Cleasby, A, Tickle, I.J, Reilly, M.O, Coyle, J.E, Holding, F.P, McMenamin, R.L, Yon, J, Chopra, R, Lengauer, C, Jhoti, H. | Deposit date: | 2009-01-30 | Release date: | 2009-03-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal Structure of Human Cdk4 in Complex with a D-Type Cyclin. Proc.Natl.Acad.Sci.USA, 106, 2009
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4J8A
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![BU of 4j8a by Molmil](/molmil-images/mine/4j8a) | Irradiated-state structure of sfGFP containing the unnatural amino acid p-azido-phenylalanine at residue 145 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Green fluorescent protein, ... | Authors: | Reddington, S.C, Jones, D.D, Rizkallah, P.J, Tippmann, E.M. | Deposit date: | 2013-02-14 | Release date: | 2013-05-15 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Different Photochemical Events of a Genetically Encoded Phenyl Azide Define and Modulate GFP Fluorescence. Angew.Chem.Int.Ed.Engl., 52, 2013
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