7AYN
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![BU of 7ayn by Molmil](/molmil-images/mine/7ayn) | Crystal structure of the lectin domain of the FimH variant Arg98Ala, in complex with Methyl 3-chloro-4-D-mannopyranosyloxy-3-biphenylcarboxylate | Descriptor: | 1,2-ETHANEDIOL, Type 1 fimbrin D-mannose specific adhesin, methyl 3-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]benzoate | Authors: | Jakob, R.P, Tomasic, T, Rabbani, S, Reisner, A, Jakopin, Z, Maier, T, Ernst, B, Anderluh, M. | Deposit date: | 2020-11-12 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Does targeting Arg98 of FimH lead to high affinity antagonists? Eur.J.Med.Chem., 211, 2020
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2NAV
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![BU of 2nav by Molmil](/molmil-images/mine/2nav) | NMR solution structure of Ex-4[1-16]/pl14a | Descriptor: | Exendin-4, Alpha/kappa-conotoxin pl14a chimera | Authors: | Schroeder, C.I, Swedberg, J.E, Craik, D.J. | Deposit date: | 2016-01-11 | Release date: | 2016-05-04 | Last modified: | 2016-08-17 | Method: | SOLUTION NMR | Cite: | Truncated Glucagon-like Peptide-1 and Exendin-4 alpha-Conotoxin pl14a Peptide Chimeras Maintain Potency and alpha-Helicity and Reveal Interactions Vital for cAMP Signaling in Vitro. J.Biol.Chem., 291, 2016
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7B3O
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![BU of 7b3o by Molmil](/molmil-images/mine/7b3o) | Crystal structure of the SARS-CoV-2 RBD in complex with STE90-C11 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of Fab Fragment, Light Chain of Fab Fragment, ... | Authors: | Kluenemann, T, Van den Heuvel, J. | Deposit date: | 2020-12-01 | Release date: | 2020-12-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A SARS-CoV-2 neutralizing antibody selected from COVID-19 patients binds to the ACE2-RBD interface and is tolerant to most known RBD mutations. Cell Rep, 36, 2021
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5MRN
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![BU of 5mrn by Molmil](/molmil-images/mine/5mrn) | Arabidopsis thaliana IspD Glu258Ala Mutant | Descriptor: | 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, CADMIUM ION, ... | Authors: | Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F. | Deposit date: | 2016-12-23 | Release date: | 2017-07-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands. ACS Chem. Biol., 12, 2017
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2IT4
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![BU of 2it4 by Molmil](/molmil-images/mine/2it4) | X ray structure of the complex between Carbonic Anhydrase I and the phosphonate antiviral drug foscarnet | Descriptor: | Carbonic anhydrase 1, PHOSPHONOFORMIC ACID, ZINC ION | Authors: | Temperini, C, Innocenti, A, Guerri, A, Scozzafava, A, Supuran, C.T. | Deposit date: | 2006-10-19 | Release date: | 2007-09-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Phosph(on)ate as a zinc-binding group in metalloenzyme inhibitors: X-ray crystal structure of the antiviral drug foscarnet complexed to human carbonic anhydrase I. Bioorg.Med.Chem.Lett., 17, 2007
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7AG8
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6YHS
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![BU of 6yhs by Molmil](/molmil-images/mine/6yhs) | Acinetobacter baumannii ribosome-amikacin complex - 50S subunit | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Nicholson, D, Edwards, T.A, O'Neill, A.J, Ranson, N.A. | Deposit date: | 2020-03-30 | Release date: | 2020-09-16 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structure of the 70S Ribosome from the Human Pathogen Acinetobacter baumannii in Complex with Clinically Relevant Antibiotics. Structure, 28, 2020
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2IXV
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6YL7
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![BU of 6yl7 by Molmil](/molmil-images/mine/6yl7) | |
2IFQ
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8CH5
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2N78
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![BU of 2n78 by Molmil](/molmil-images/mine/2n78) | NMR structure of IF1 from Pseudomonas aeruginosa | Descriptor: | Translation initiation factor IF-1 | Authors: | Zhang, Y. | Deposit date: | 2015-09-04 | Release date: | 2016-09-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | (1)H, (13)C and (15)N resonance assignments and secondary structure analysis of translation initiation factor 1 from Pseudomonas aeruginosa. Biomol.Nmr Assign., 10, 2016
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5XE3
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![BU of 5xe3 by Molmil](/molmil-images/mine/5xe3) | Endoribonuclease in complex with its cognate antitoxin from Mycobacterial species | Descriptor: | Endoribonuclease MazF4, Probable antitoxin MazE4 | Authors: | Ahn, D.-H, Lee, K.-Y, Lee, S.J, Yoon, H.J, Kim, S.-J, Lee, B.-J. | Deposit date: | 2017-03-31 | Release date: | 2017-10-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural analyses of the MazEF4 toxin-antitoxin pair in Mycobacterium tuberculosis provide evidence for a unique extracellular death factor. J. Biol. Chem., 292, 2017
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7B3C
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![BU of 7b3c by Molmil](/molmil-images/mine/7b3c) | Structure of elongating SARS-CoV-2 RNA-dependent RNA polymerase with Remdesivir at position -4 (structure 2) | Descriptor: | DNA/RNA (5'-R(P*CP*UP*AP*CP*GP*CP*A)-D(P*(RMP))-R(P*GP*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 (3.4 Å) | Cite: | Mechanism of SARS-CoV-2 polymerase stalling by remdesivir. Nat Commun, 12, 2021
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1BTE
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![BU of 1bte by Molmil](/molmil-images/mine/1bte) | CRYSTAL STRUCTURE OF THE EXTRACELLULAR DOMAIN OF THE TYPE II ACTIVIN RECEPTOR | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (ACTIVIN RECEPTOR TYPE II) | Authors: | Greenwald, J, Fischer, W, Vale, W, Choe, S. | Deposit date: | 1998-09-01 | Release date: | 1999-02-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Three-finger toxin fold for the extracellular ligand-binding domain of the type II activin receptor serine kinase. Nat.Struct.Biol., 6, 1999
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5MYC
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![BU of 5myc by Molmil](/molmil-images/mine/5myc) | Crystal structure of human 14-3-3 sigma in complex with LRRK2 peptide pS910 | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | Authors: | Stevers, L.M, de Vries, R.M.J.M, Ottmann, C. | Deposit date: | 2017-01-26 | Release date: | 2017-03-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.459 Å) | Cite: | Structural interface between LRRK2 and 14-3-3 protein. Biochem. J., 474, 2017
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6Y90
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8BZZ
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4Q9N
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![BU of 4q9n by Molmil](/molmil-images/mine/4q9n) | Crystal structure of Chlamydia trachomatis enoyl-ACP reductase (FabI) in complex with NADH and AFN-1252 | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide | Authors: | Yao, J, Abdelrahman, Y, Robertson, R.M, Cox, J.V, Belland, R.J, White, S.W, Rock, C.O. | Deposit date: | 2014-05-01 | Release date: | 2014-06-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.795 Å) | Cite: | Type II Fatty Acid Synthesis Is Essential for the Replication of Chlamydia trachomatis. J.Biol.Chem., 289, 2014
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2ND8
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![BU of 2nd8 by Molmil](/molmil-images/mine/2nd8) | Structures of DK17 in TBLE LUVS | Descriptor: | Cell penetrating peptide | Authors: | Bera, S, Bhunia, A. | Deposit date: | 2016-05-11 | Release date: | 2017-03-22 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Elucidation of the Cell-Penetrating Penetratin Peptide in Model Membranes at the Atomic Level: Probing Hydrophobic Interactions in the Blood-Brain Barrier Biochemistry, 55, 2016
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5M7K
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![BU of 5m7k by Molmil](/molmil-images/mine/5m7k) | Blastochloris viridis photosynthetic reaction center - RC_vir_xfel | Descriptor: | (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL A, ... | Authors: | Sharma, A.S, Johansson, L, Dunevall, E, Wahlgren, W.Y, Neutze, R, Katona, G. | Deposit date: | 2016-10-28 | Release date: | 2017-02-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Asymmetry in serial femtosecond crystallography data. Acta Crystallogr A Found Adv, 73, 2017
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6YEN
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![BU of 6yen by Molmil](/molmil-images/mine/6yen) | Crystal structure of AmpC from E. coli with Taniborbactam (VNRX-5133) | Descriptor: | (10aR)-2-(((1r,4R)-4-((2-aminoethyl)amino)cyclohexyl)methyl)-6-carboxy-4-hydroxy-4,10a-dihydro-10H-benzo[5,6][1,2]oxaborinino[2,3-b][1,4,2]oxazaborol-4-uide, (3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, 1,2-ETHANEDIOL, ... | Authors: | Lang, P.A, Brem, J, Schofield, C.J. | Deposit date: | 2020-03-25 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.418 Å) | Cite: | Bicyclic Boronates as Potent Inhibitors of AmpC, the Class C beta-Lactamase from Escherichia coli . Biomolecules, 10, 2020
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2NO6
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![BU of 2no6 by Molmil](/molmil-images/mine/2no6) | C4S dCK variant of dCK in complex with FTC+ADP | Descriptor: | 4-AMINO-5-FLUORO-1-[(2R,5S)-2-(HYDROXYMETHYL)-1,3-OXATHIOLAN-5-YL]PYRIMIDIN-2(1H)-ONE, ADENOSINE-5'-DIPHOSPHATE, deoxycytidine kinase | Authors: | Sabini, E, Hazra, S, Konrad, M, Burley, S.K, Lavie, A. | Deposit date: | 2006-10-25 | Release date: | 2007-07-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Nonenantioselectivity Property of Human Deoxycytidine Kinase Explained by Structures of the Enzyme in Complex with l- and d-Nucleosides. J.Med.Chem., 50, 2007
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5M8Y
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![BU of 5m8y by Molmil](/molmil-images/mine/5m8y) | PCE reductive dehalogenase from S. multivorans in complex with 3-chlorophenol | Descriptor: | 3-CHLOROPHENOL, GLYCEROL, IRON/SULFUR CLUSTER, ... | Authors: | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | Deposit date: | 2016-10-30 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.857 Å) | Cite: | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer. Nat Commun, 8, 2017
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7B88
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![BU of 7b88 by Molmil](/molmil-images/mine/7b88) | Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with S99 inhibitor | Descriptor: | 3-[5-[3,5-bis(chloranyl)phenyl]-4-phenyl-1,3-oxazol-2-yl]propanoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Chaikuad, A, Schierle, S, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-12-12 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Oxaprozin Analogues as Selective RXR Agonists with Superior Properties and Pharmacokinetics. J.Med.Chem., 64, 2021
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