7OAO
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![BU of 7oao by Molmil](/molmil-images/mine/7oao) | Nanobody C5 bound to RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, C5 nanobody, ... | Authors: | Naismith, J.H, Mikolajek, H. | Deposit date: | 2021-04-19 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 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
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![BU of 7oap by Molmil](/molmil-images/mine/7oap) | Nanobody H3 AND C1 bound to RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C1 nanobody, CHLORIDE ION, ... | Authors: | Naismith, J.H, Mikolajek, H. | Deposit date: | 2021-04-19 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | 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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5J3D
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5J41
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![BU of 5j41 by Molmil](/molmil-images/mine/5j41) | Glutathione S-transferase bound with hydrolyzed Piperlongumine | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(3,4,5-trimethoxyphenyl)propanoic acid, GLUTATHIONE, ... | Authors: | Harshbarger, W, Gondi, S, Ficarro, S, Hunter, J, Udayakumar, D, Gurbani, D, Marto, J, Westover, K. | Deposit date: | 2016-03-31 | Release date: | 2016-11-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.19035351 Å) | Cite: | Structural and Biochemical Analyses Reveal the Mechanism of Glutathione S-Transferase Pi 1 Inhibition by the Anti-cancer Compound Piperlongumine. J. Biol. Chem., 292, 2017
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2CE2
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![BU of 2ce2 by Molmil](/molmil-images/mine/2ce2) | CRYSTAL STRUCTURE ANALYSIS OF A FLUORESCENT FORM OF H-RAS P21 IN COMPLEX WITH GDP | Descriptor: | GTPASE HRAS, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Klink, B.U, Goody, R.S, Scheidig, A.J. | Deposit date: | 2006-02-02 | Release date: | 2006-08-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | A Newly Designed Microspectrofluorometer for Kinetic Studies on Protein Crystals in Combination with X-Ray Diffraction Biophys.J., 91, 2006
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1CHJ
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7OAN
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![BU of 7oan by Molmil](/molmil-images/mine/7oan) | Nanobody C5 bound to Spike | 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, ... | Authors: | Naismith, J.H, Weckener, M. | Deposit date: | 2021-04-19 | Release date: | 2021-08-11 | Last modified: | 2021-10-06 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | 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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7OFV
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![BU of 7ofv by Molmil](/molmil-images/mine/7ofv) | NMR-guided design of potent and selective EphA4 agonistic ligands | Descriptor: | ACETATE ION, EphA4 agonist ligand, Ephrin type-A receptor 4 | Authors: | Ganichkin, O.M, Craig, T.K, Baggio, C, Pellecchia, M. | Deposit date: | 2021-05-05 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | NMR-Guided Design of Potent and Selective EphA4 Agonistic Ligands. J.Med.Chem., 64, 2021
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7ACU
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7OAY
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![BU of 7oay by Molmil](/molmil-images/mine/7oay) | Nanobody F2 bound to RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, F2 nanobody, Spike protein S1 | Authors: | Naismith, J.H, Mikolajek, H. | Deposit date: | 2021-04-20 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | 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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![BU of 7oau by Molmil](/molmil-images/mine/7oau) | Nanobody C5 bound to Kent variant RBD (N501Y) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C5, GLYCEROL, ... | Authors: | Naismith, J.H, Mikolajek, H. | Deposit date: | 2021-04-20 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | 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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7ADY
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![BU of 7ady by Molmil](/molmil-images/mine/7ady) | CO-removed state of the active site of vanadium nitrogenase VFe protein | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ... | Authors: | Rohde, M, Grunau, K, Einsle, O. | Deposit date: | 2020-09-16 | Release date: | 2020-09-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | CO Binding to the FeV Cofactor of CO-Reducing Vanadium Nitrogenase at Atomic Resolution. Angew.Chem.Int.Ed.Engl., 59, 2020
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5IZ5
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![BU of 5iz5 by Molmil](/molmil-images/mine/5iz5) | Human GIVD cytosolic phospholipase A2 | Descriptor: | Cytosolic phospholipase A2 delta, SULFATE ION | Authors: | Wang, H, Klein, M.G. | Deposit date: | 2016-03-24 | Release date: | 2016-06-08 | Last modified: | 2016-06-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of Human GIVD Cytosolic Phospholipase A2 Reveals Insights into Substrate Recognition. J.Mol.Biol., 428, 2016
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4GNU
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![BU of 4gnu by Molmil](/molmil-images/mine/4gnu) | Crystal structure of GES-5 carbapenemase | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase GES-5 | Authors: | Smith, C.A, Vakulenko, S.B. | Deposit date: | 2012-08-17 | Release date: | 2013-07-24 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Structural basis for progression toward the carbapenemase activity in the GES family of beta-lactamases. J.Am.Chem.Soc., 134, 2012
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7OZJ
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5JA7
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![BU of 5ja7 by Molmil](/molmil-images/mine/5ja7) | Human cathepsin K mutant C25S in complex with the allosteric effector NSC94914 | Descriptor: | ACETATE ION, Cathepsin K, GLYCEROL, ... | Authors: | Novinec, M, Korenc, M, Lenarcic, B. | Deposit date: | 2016-04-12 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | An allosteric site enables fine-tuning of cathepsin K by diverse effectors. FEBS Lett., 590, 2016
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2E4A
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![BU of 2e4a by Molmil](/molmil-images/mine/2e4a) | Crystal Structure of Human D-Amino Acid Oxidase in complex with o-aminobenzoate | Descriptor: | 2-AMINOBENZOIC ACID, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Kawazoe, T, Tsuge, H, Imagawa, T, Fukui, K. | Deposit date: | 2006-12-05 | Release date: | 2007-03-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis of d-DOPA oxidation by d-amino acid oxidase: Alternative pathway for dopamine biosynthesis. Biochem.Biophys.Res.Commun., 355, 2007
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1CE7
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![BU of 1ce7 by Molmil](/molmil-images/mine/1ce7) | MISTLETOE LECTIN I FROM VISCUM ALBUM | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (RIBOSOME-INACTIVATING PROTEIN TYPE II) | Authors: | Krauspenhaar, R, Eschenburg, S, Perbandt, M, Kornilov, V, Konareva, N, Mikailova, I, Stoeva, S, Wacker, R, Maier, T, Singh, T.P, Mikhailov, A, Voelter, W, Betzel, C. | Deposit date: | 1999-03-18 | Release date: | 2000-03-20 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of mistletoe lectin I from Viscum album. Biochem.Biophys.Res.Commun., 257, 1999
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5JEF
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![BU of 5jef by Molmil](/molmil-images/mine/5jef) | Fragment of nitrate/nitrite sensor histidine kinase NarQ (WT) in asymmetric holo state | Descriptor: | EICOSANE, NITRATE ION, Nitrate/nitrite sensor protein NarQ | Authors: | Gushchin, I, Melnikov, I, Polovinkin, V, Ishchenko, A, Popov, A, Gordeliy, V. | Deposit date: | 2016-04-18 | Release date: | 2017-05-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Mechanism of transmembrane signaling by sensor histidine kinases. Science, 356, 2017
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7OWZ
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![BU of 7owz by Molmil](/molmil-images/mine/7owz) | Heterodimeric murine tRNA-guanine transglycosylase in complex with queuine and in the presence of Anderson-Evans type (TEW) and Strandberg type polyoxometalate (POM) | Descriptor: | 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, 6-tungstotellurate(VI), Queuine tRNA-ribosyltransferase accessory subunit 2, ... | Authors: | Sebastiani, M, Heine, A, Reuter, K. | Deposit date: | 2021-06-21 | Release date: | 2022-07-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and Biochemical Investigation of the Heterodimeric Murine tRNA-Guanine Transglycosylase. Acs Chem.Biol., 17, 2022
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7OZI
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7P0J
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![BU of 7p0j by Molmil](/molmil-images/mine/7p0j) | Crystal structure of S.pombe Mdb1 BRCT domains | Descriptor: | CITRIC ACID, DNA damage response protein Mdb1, MAGNESIUM ION, ... | Authors: | Day, M, Oliver, A.W, Pearl, L.H. | Deposit date: | 2021-06-29 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Phosphorylation-dependent assembly of DNA damage response systems and the central roles of TOPBP1. DNA Repair (Amst), 108, 2021
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5JHA
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![BU of 5jha by Molmil](/molmil-images/mine/5jha) | Structure of Phosphoinositide 3-kinase gamma (PI3K) bound to the potent inhibitor PIKin2 | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, [1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)pyrimidin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol | Authors: | Burke, J.E, Inglis, A.J, Williams, R.L. | Deposit date: | 2016-04-20 | Release date: | 2017-03-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention. Nat Commun, 8, 2017
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7A6I
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![BU of 7a6i by Molmil](/molmil-images/mine/7a6i) | Crystal Structure of EGFR-T790M/V948R in Complex with LDC8201 | Descriptor: | Epidermal growth factor receptor, SULFATE ION, ~{N}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2020-08-25 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors. J.Med.Chem., 65, 2022
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7ZX1
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![BU of 7zx1 by Molmil](/molmil-images/mine/7zx1) | Crystal structure of Pol theta polymerase domain in complex with compound 22 | Descriptor: | (2~{S},3~{R})-1-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]-~{N}-methyl-~{N}-(3-methylphenyl)-3-oxidanyl-pyrrolidine-2-carboxamide, 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*(DDG))-3'), ... | Authors: | Krajewski, W.W, Turnbull, A.P, Willis, S, Charles, M, Stockley, M, Heald, R.A. | Deposit date: | 2022-05-19 | Release date: | 2022-10-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.829 Å) | Cite: | Discovery, Characterization, and Structure-Based Optimization of Small-Molecule In Vitro and In Vivo Probes for Human DNA Polymerase Theta. J.Med.Chem., 65, 2022
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