5NR5
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5NKE
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![BU of 5nke by Molmil](/molmil-images/mine/5nke) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 3a | Descriptor: | 2-[[3-bromanyl-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2017-03-31 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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7B3B
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![BU of 7b3b by Molmil](/molmil-images/mine/7b3b) | Structure of elongating SARS-CoV-2 RNA-dependent RNA polymerase with Remdesivir at position -3 (structure 1) | Descriptor: | DNA/RNA (5'-R(P*CP*UP*AP*CP*GP*CP*G)-D(P*(RMP))-R(P*UP*G)-3'), Non-structural protein 7, Non-structural protein 8, ... | Authors: | Kokic, G, Hillen, H.S, Tegunov, D, Dienemann, C, Seitz, F, Schmitzova, J, Farnung, L, Siewert, A, Hoebartner, C, Cramer, P. | Deposit date: | 2020-11-30 | Release date: | 2020-12-23 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Mechanism of SARS-CoV-2 polymerase stalling by remdesivir. Nat Commun, 12, 2021
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5UI2
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![BU of 5ui2 by Molmil](/molmil-images/mine/5ui2) | CRYSTAL STRUCTURE OF ORANGE CAROTENOID PROTEIN | Descriptor: | (3'R)-3'-hydroxy-beta,beta-caroten-4-one, CHLORIDE ION, Orange carotenoid-binding protein, ... | Authors: | KERFELD, C.A, SAWAYA, M.R, VISHNU, B, KROGMANN, D, YEATES, T.O. | Deposit date: | 2017-01-12 | Release date: | 2017-01-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The crystal structure of a cyanobacterial water-soluble carotenoid binding protein. Structure, 11, 2003
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7AWC
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![BU of 7awc by Molmil](/molmil-images/mine/7awc) | Crystal structure of Peroxisome proliferator-activated receptor gamma (PPARG)in complex with rosiglitazone | Descriptor: | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), GLYCEROL, ... | Authors: | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-11-06 | Release date: | 2020-11-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Endogenous vitamin E metabolites mediate allosteric PPAR gamma activation with unprecedented co-regulatory interactions. Cell Chem Biol, 28, 2021
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5NRD
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![BU of 5nrd by Molmil](/molmil-images/mine/5nrd) | A Native Ternary Complex of Alpha-1,3-Galactosyltransferase (a-3GalT) Supports a Conserved Reaction Mechanism for Retaining Glycosyltransferases - alpha-3GalT in complex with Co2+, UDP-Gal and lactose - a3GalT-Co2+-UDP-Gal-LAT-2 | Descriptor: | COBALT (II) ION, GALACTOSE-URIDINE-5'-DIPHOSPHATE, GLYCEROL, ... | Authors: | Albesa-Jove, D, Marina, A, Sainz-Polo, M.A, Guerin, M.E. | Deposit date: | 2017-04-22 | Release date: | 2017-10-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural Snapshots of alpha-1,3-Galactosyltransferase with Native Substrates: Insight into the Catalytic Mechanism of Retaining Glycosyltransferases. Angew. Chem. Int. Ed. Engl., 56, 2017
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4RF4
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5NK9
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![BU of 5nk9 by Molmil](/molmil-images/mine/5nk9) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2e | Descriptor: | (2~{Z})-~{N}-(2-chloranyl-6-methyl-phenyl)-2-[3-[(4-methyl-4-oxidanyl-cyclohexyl)carbamoyl]phenyl]imino-1,3-thiazolidine-5-carboxamide, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2017-03-31 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.588 Å) | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NKI
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![BU of 5nki by Molmil](/molmil-images/mine/5nki) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 4b | Descriptor: | Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]-1,3-thiazole-5-carboxamide | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2017-03-31 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.675 Å) | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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7AOB
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![BU of 7aob by Molmil](/molmil-images/mine/7aob) | Crystal structure of Thermaerobacter marianensis malate dehydrogenase | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Bertrand, Q, Lasalle, L, Girard, E, Madern, D. | Deposit date: | 2020-10-14 | Release date: | 2020-10-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Crystal structure of Thermaerobacter marianensis malate dehydrogenase To Be Published
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5MKD
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5MQE
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5MMI
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![BU of 5mmi by Molmil](/molmil-images/mine/5mmi) | Structure of the large subunit of the chloroplast ribosome | Descriptor: | 23S ribosomal RNA, 4.5S ribosomal RNA, 50S ribosomal protein 6, ... | Authors: | Bieri, P, Leibundgut, M, Saurer, M, Boehringer, D, Ban, N. | Deposit date: | 2016-12-10 | Release date: | 2017-01-11 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | The complete structure of the chloroplast 70S ribosome in complex with translation factor pY. EMBO J., 36, 2017
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5MQK
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5MQM
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![BU of 5mqm by Molmil](/molmil-images/mine/5mqm) | Glycoside hydrolase BT_0986 | Descriptor: | CALCIUM ION, D-rhamnopyranose tetrazole, Glycosyl hydrolases family 2, ... | Authors: | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | Deposit date: | 2016-12-20 | Release date: | 2017-03-22 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Complex pectin metabolism by gut bacteria reveals novel catalytic functions. Nature, 544, 2017
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8DOH
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![BU of 8doh by Molmil](/molmil-images/mine/8doh) | Dehaloperoxidase B in complex with Bisphenol F | Descriptor: | 4,4'-methylenediphenol, Dehaloperoxidase B, GLYCEROL, ... | Authors: | de Serrano, V.S, Yun, D, Ghiladi, R. | Deposit date: | 2022-07-13 | Release date: | 2022-11-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Oxidation of bisphenol A (BPA) and related compounds by the multifunctional catalytic globin dehaloperoxidase. J.Inorg.Biochem., 238, 2023
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5MA9
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![BU of 5ma9 by Molmil](/molmil-images/mine/5ma9) | GFP-binding DARPin fusion gc_R11 | Descriptor: | 1,2-ETHANEDIOL, Green fluorescent protein, R11 | Authors: | Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A. | Deposit date: | 2016-11-03 | Release date: | 2017-11-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity. Sci Rep, 7, 2017
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5MC9
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8EDQ
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![BU of 8edq by Molmil](/molmil-images/mine/8edq) | E. coli pyruvate kinase (PykF) I264F | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Pyruvate kinase, SULFATE ION | Authors: | Donovan, K.A, Coombes, D, Dobson, R.C.J, Cooper, T.F. | Deposit date: | 2022-09-05 | Release date: | 2022-11-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Beneficial mutations occurring in E. coli pyruvate kinase afford new allosteric mechanisms leading to faster resumption of growth To Be Published
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5MUT
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![BU of 5mut by Molmil](/molmil-images/mine/5mut) | Crystal structure of potent human Dihydroorotate Dehydrogenase inhibitors based on hydroxylated azole scaffolds | Descriptor: | 2-methyl-5-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,3-triazole-4-carboxamide, ACETATE ION, CHLORIDE ION, ... | Authors: | Goyal, P, Andersson, M, Moritzer, A.C, Sainas, S, Pippione, A.C, Boschi, D, Al-Kadaraghi, S, Lolli, M, Friemann, R. | Deposit date: | 2017-01-14 | Release date: | 2017-03-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds. Eur J Med Chem, 129, 2017
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7BYD
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![BU of 7byd by Molmil](/molmil-images/mine/7byd) | Crystal structure of SN45 TCR in complex with lipopeptide-bound Mamu-B*05104 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, B protein, ... | Authors: | Morita, D, Sugita, M, Iwashita, C. | Deposit date: | 2020-04-22 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.80003262 Å) | Cite: | Crystal structure of the ternary complex of TCR, MHC class I and lipopeptides. Int.Immunol., 32, 2020
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8AJL
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![BU of 8ajl by Molmil](/molmil-images/mine/8ajl) | Structure of the Ancestral Scaffold Antigen-6 of Coronavirus Spike protein | Descriptor: | 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,Fibritin | Authors: | Hueting, D, Schriever, K, Wallden, K, Andrell, J, Syren, P.O. | Deposit date: | 2022-07-28 | Release date: | 2023-08-16 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (2.77 Å) | Cite: | Design, structure and plasma binding of ancestral beta-CoV scaffold antigens. Nat Commun, 14, 2023
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5MUY
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![BU of 5muy by Molmil](/molmil-images/mine/5muy) | Structure of a C-terminal domain of a reptarenavirus L protein with m7GTP | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, L protein | Authors: | Rosenthal, M, Gogrefe, N, Reguera, J, Vogel, D, Rauschenberger, B, Cusack, S, Gunther, S, Reindl, S. | Deposit date: | 2017-01-14 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural insights into reptarenavirus cap-snatching machinery. PLoS Pathog., 13, 2017
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8DOG
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![BU of 8dog by Molmil](/molmil-images/mine/8dog) | Dehaloperoxidase B in complex with Bisphenol E | Descriptor: | 4-[1-(4-hydroxyphenyl)ethyl]phenol, Dehaloperoxidase B, GLYCEROL, ... | Authors: | de Serrano, V.S, Yun, D, Ghiladi, R. | Deposit date: | 2022-07-13 | Release date: | 2022-11-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Oxidation of bisphenol A (BPA) and related compounds by the multifunctional catalytic globin dehaloperoxidase. J.Inorg.Biochem., 238, 2023
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8DOJ
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![BU of 8doj by Molmil](/molmil-images/mine/8doj) | Dehaloperoxidase B in complex with 3,3'-Biphenol | Descriptor: | (1P)-[1,1'-biphenyl]-3,3'-diol, Dehaloperoxidase B, GLYCEROL, ... | Authors: | de Serrano, V.S, Yun, D, Ghiladi, R. | Deposit date: | 2022-07-13 | Release date: | 2022-11-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Oxidation of bisphenol A (BPA) and related compounds by the multifunctional catalytic globin dehaloperoxidase. J.Inorg.Biochem., 238, 2023
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