6SEW
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![BU of 6sew by Molmil](/molmil-images/mine/6sew) | X-ray structure of the gold/lysozyme adduct formed upon 24h exposure of protein crystals to compound 2 | Descriptor: | 1,2-ETHANEDIOL, GOLD ION, Lysozyme C, ... | Authors: | Ferraro, G, Giorgio, A, Merlino, A. | Deposit date: | 2019-07-30 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Protein-mediated disproportionation of Au(i): insights from the structures of adducts of Au(iii) compounds bearing N,N-pyridylbenzimidazole derivatives with lysozyme. Dalton Trans, 48, 2019
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6FBH
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![BU of 6fbh by Molmil](/molmil-images/mine/6fbh) | KlenTaq DNA polymerase processing a modified primer - bearing the modification upstream at the sixth primer nucleotide. | Descriptor: | 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*AP*AP*AP*CP*GP*TP*CP*CP*GP*GP*TP*GP*GP*GP*TP*C)-3'), ... | Authors: | Kropp, H.M, Diederichs, K, Marx, A. | Deposit date: | 2017-12-19 | Release date: | 2018-09-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Snapshots of a modified nucleotide moving through the confines of a DNA polymerase. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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8EY4
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![BU of 8ey4 by Molmil](/molmil-images/mine/8ey4) | Contact-dependent growth inhibition toxin-immunity protein complex from E. coli O32:H37 | Descriptor: | Cys_rich_CPCC domain-containing protein, FE (III) ION, PT-VENN domain-containing protein | Authors: | Michalska, K, Stols, L, Eschenfeldt, W, Goulding, C.W, Hayes, C.S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2022-10-26 | Release date: | 2023-11-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Contact-dependent growth inhibition toxin-immunity protein complex from E. coli O32:H37 To Be Published
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8P33
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![BU of 8p33 by Molmil](/molmil-images/mine/8p33) | BB0238 from Borrelia burgdorferi | Descriptor: | BB0238 | Authors: | Brangulis, K, Foor, S.D, Shakya, A.K, Rana, V.S, Bista, S, Kitsou, C, Ronzetti, M, Linden, S.B, Altieri, A.S, Akopjana, I, Baljinnyam, B, Nelson, D.C, Simeonov, A, Herzberg, O, Caimano, M.J, Pal, U. | Deposit date: | 2023-05-16 | Release date: | 2023-10-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A unique borrelial protein facilitates microbial immune evasion. Mbio, 14, 2023
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7SPN
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![BU of 7spn by Molmil](/molmil-images/mine/7spn) | Crystal structure of IS11, a thermophilic esterase | Descriptor: | IS11 | Authors: | Stogios, P.J, Evdokimova, E, Khusnutdinova, A, Yakunin, A.F, Savchenko, A. | Deposit date: | 2021-11-02 | Release date: | 2022-08-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Crystal structure of IS11, a thermophilic esterase To Be Published
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5MV9
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![BU of 5mv9 by Molmil](/molmil-images/mine/5mv9) | Structure of human Myosin 7a C-terminal MyTH4-FERM domain in complex with harmonin-a PDZ3 domain | Descriptor: | ACETATE ION, Unconventional myosin-VIIa, cDNA FLJ51329, ... | Authors: | Yu, I, Sourigues, Y, Titus, M.A, Houdusse, A. | Deposit date: | 2017-01-16 | Release date: | 2017-07-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Myosin 7 and its adaptors link cadherins to actin. Nat Commun, 8, 2017
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6FKU
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![BU of 6fku by Molmil](/molmil-images/mine/6fku) | Structure and function of aldehyde dehydrogenase from Thermus thermophilus: An enzyme with an evolutionarily-distinct C-terminal arm (Recombinant protein with shortened C-terminal, in complex with NADP) | Descriptor: | Aldehyde dehydrogenase, DI(HYDROXYETHYL)ETHER, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Hayes, K.A, Noor, M.R, Djeghader, A, Soulimane, T. | Deposit date: | 2018-01-24 | Release date: | 2018-09-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The quaternary structure of Thermus thermophilus aldehyde dehydrogenase is stabilized by an evolutionary distinct C-terminal arm extension. Sci Rep, 8, 2018
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5K76
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![BU of 5k76 by Molmil](/molmil-images/mine/5k76) | IRAK4 in complex with Compound 28 | Descriptor: | Interleukin-1 receptor-associated kinase 4, ~{N}-(4-morpholin-4-ylcyclohexyl)-5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine | Authors: | Ferguson, A.D. | Deposit date: | 2016-05-25 | Release date: | 2017-12-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma. J. Med. Chem., 60, 2017
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8P32
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![BU of 8p32 by Molmil](/molmil-images/mine/8p32) | BB0238 from Borrelia burgdorferi, Se-Met data for Leu240Met mutant | Descriptor: | BB0238 | Authors: | Brangulis, K, Foor, S.D, Shakya, A.K, Rana, V.S, Bista, S, Kitsou, C, Ronzetti, M, Linden, S.B, Altieri, A.S, Akopjana, I, Baljinnyam, B, Nelson, D.C, Simeonov, A, Herzberg, O, Caimano, M.J, Pal, U. | Deposit date: | 2023-05-16 | Release date: | 2023-10-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A unique borrelial protein facilitates microbial immune evasion. Mbio, 14, 2023
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6SAC
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![BU of 6sac by Molmil](/molmil-images/mine/6sac) | N-terminal expression tag remainder of human Carbonic Anhydrase II covalently modified by fragment | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine, Carbonic anhydrase 2, ... | Authors: | Gloeckner, S, Heine, A, Klebe, G. | Deposit date: | 2019-07-16 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II. Biomolecules, 10, 2020
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7AFR
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![BU of 7afr by Molmil](/molmil-images/mine/7afr) | Ribosome maturation factor RimP (apo) | Descriptor: | Ribosome maturation factor RimP | Authors: | Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Fucini, P, Connell, S. | Deposit date: | 2020-09-19 | Release date: | 2021-07-07 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit. Sci Adv, 7, 2021
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6V5E
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![BU of 6v5e by Molmil](/molmil-images/mine/6v5e) | Crystal structure of CTX-M-14 P167S/D240G beta-lactamase | Descriptor: | Beta-lactamase | Authors: | Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | Deposit date: | 2019-12-04 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance. J.Biol.Chem., 295, 2020
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6C0F
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![BU of 6c0f by Molmil](/molmil-images/mine/6c0f) | Yeast nucleolar pre-60S ribosomal subunit (state 2) | Descriptor: | 5.8S rRNA, 60S ribosomal protein L13-A, 60S ribosomal protein L14-A, ... | Authors: | Sanghai, Z.A, Miller, L, Barandun, J, Hunziker, M, Chaker-Margot, M, Klinge, S. | Deposit date: | 2017-12-29 | Release date: | 2018-03-14 | Last modified: | 2020-01-08 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Modular assembly of the nucleolar pre-60S ribosomal subunit. Nature, 556, 2018
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6MS8
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![BU of 6ms8 by Molmil](/molmil-images/mine/6ms8) | Crystal Structure of Chalcone Isomerase from Medicago Truncatula Complexed with (2S) Naringenin | Descriptor: | Chalcone-flavonone isomerase family protein, NARINGENIN | Authors: | Burke, J.R, La Clair, J.J, Philippe, R.N, Pabis, A, Jez, J.M, Cortina, G, Kaltenbach, M, Bowman, M.E, Woods, K.B, Nelson, A.T, Tawfik, D.S, Kamerlin, S.C.L, Noel, J.P. | Deposit date: | 2018-10-16 | Release date: | 2019-08-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Bifunctional Substrate Activation via an Arginine Residue Drives Catalysis in Chalcone Isomerases Acs Catalysis, 2019
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7NZB
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![BU of 7nzb by Molmil](/molmil-images/mine/7nzb) | Mutant V517L of the SH3 domain of JNK-interacting protein 1 (JIP1) | Descriptor: | PHOSPHATE ION, SH3 domain of JNK-interacting protein 1 (JIP1), TETRAETHYLENE GLYCOL | Authors: | Perez, L.M, Ielasi, F.S, Jensen, M.R, Palencia, A. | Deposit date: | 2021-03-23 | Release date: | 2021-12-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.959 Å) | Cite: | Visualizing protein breathing motions associated with aromatic ring flipping. Nature, 602, 2022
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7B9E
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![BU of 7b9e by Molmil](/molmil-images/mine/7b9e) | Crystal structure of MurE from E.coli in complex with Z275151340 | Descriptor: | 4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide, ISOPROPYL ALCOHOL, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate-2,6-diaminopimelate ligase | Authors: | Koekemoer, L, Steindel, M, Fairhead, M, Talon, R, Douangamath, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC) | Deposit date: | 2020-12-14 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Crystal structure of MurE from E.coli To Be Published
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6FHU
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![BU of 6fhu by Molmil](/molmil-images/mine/6fhu) | Crystal structure of BAZ2A PHD zinc finger in complex with H3 3-mer peptide | Descriptor: | ALA-ARG-TAM, Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, ... | Authors: | Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A. | Deposit date: | 2018-01-15 | Release date: | 2018-03-21 | Last modified: | 2018-05-02 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach. ACS Chem. Biol., 13, 2018
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7NYN
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![BU of 7nyn by Molmil](/molmil-images/mine/7nyn) | Mutant Y526A of SH3 domain of JNK-interacting Protein 1 (JIP1) | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ... | Authors: | Perez, L.M, Ielasi, F.S, Palencia, A, Jensen, M.R. | Deposit date: | 2021-03-23 | Release date: | 2021-12-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.537 Å) | Cite: | Visualizing protein breathing motions associated with aromatic ring flipping. Nature, 602, 2022
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6SEX
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![BU of 6sex by Molmil](/molmil-images/mine/6sex) | X-ray structure of the gold/lysozyme adduct formed upon 21h exposure of protein crystals to compound 1 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Ferraro, G, Giorgio, A, Merlino, A. | Deposit date: | 2019-07-30 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Protein-mediated disproportionation of Au(i): insights from the structures of adducts of Au(iii) compounds bearing N,N-pyridylbenzimidazole derivatives with lysozyme. Dalton Trans, 48, 2019
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5MY4
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6V8F
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5MYF
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![BU of 5myf by Molmil](/molmil-images/mine/5myf) | Convergent evolution involving dimeric and trimeric dUTPases in signalling. | Descriptor: | dUTPase from DI S. aureus phage | Authors: | Donderis, J, Bowring, J, Maiques, E, Ciges-Tomas, J.R, Alite, C, Mehmedov, I, Tormo-Mas, M.A, Penades, J.R, Marina, A. | Deposit date: | 2017-01-26 | Release date: | 2017-09-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Convergent evolution involving dimeric and trimeric dUTPases in pathogenicity island mobilization. PLoS Pathog., 13, 2017
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5JSU
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![BU of 5jsu by Molmil](/molmil-images/mine/5jsu) | The 3D structure of the U489C variant of [NiFeSe] hydrogenase from Desulfovibrio vulgaris Hildenborough in the oxidized state at 1.40 Angstrom resolution | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE (II) ION, HYDROSULFURIC ACID, ... | Authors: | Marques, M.C, Pereira, I.A.C, Matias, P.M. | Deposit date: | 2016-05-09 | Release date: | 2017-03-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The direct role of selenocysteine in [NiFeSe] hydrogenase maturation and catalysis. Nat. Chem. Biol., 13, 2017
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5JVD
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![BU of 5jvd by Molmil](/molmil-images/mine/5jvd) | Tubulin-TUB092 complex | Descriptor: | (2E)-3-(3-hydroxy-4-methoxyphenyl)-1-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Canela, M.-D, Noppen, S, Bueno, O, Prota, A.E, Bargsten, K, Saez-Calvo, G, Jimeno, M.-L, Benkheil, M, Ribatti, D, Velazquez, S, Camarasa, M.-J, Diaz, J.F, Steinmetz, M.O, Priego, E.-M, Perez-Perez, M.-J, Liekens, S. | Deposit date: | 2016-05-11 | Release date: | 2016-06-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.393 Å) | Cite: | Antivascular and antitumor properties of the tubulin-binding chalcone TUB091. Oncotarget, 8, 2017
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7NZD
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![BU of 7nzd by Molmil](/molmil-images/mine/7nzd) | Fourth SH3 domain of POSH (Plenty of SH3 Domains protein) | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase SH3RF1 | Authors: | Palencia, A, Bessa, L.M, Jensen, M.R. | Deposit date: | 2021-03-23 | Release date: | 2021-12-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Visualizing protein breathing motions associated with aromatic ring flipping. Nature, 602, 2022
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