4HMA
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![BU of 4hma by Molmil](/molmil-images/mine/4hma) | Crystal structure of an MMP twin carboxylate based inhibitor LC20 in complex with the MMP-9 catalytic domain | Descriptor: | CALCIUM ION, D-MALATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Stura, E.A, Antoni, C, Vera, L, Nuti, E, Carafa, L, Cassar-Lajeunesse, E, Dive, V, Rossello, A. | Deposit date: | 2012-10-18 | Release date: | 2013-04-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Crystallization of bi-functional ligand protein complexes. J.Struct.Biol., 182, 2013
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4X49
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![BU of 4x49 by Molmil](/molmil-images/mine/4x49) | Crystal structure of the intramolecular trans-sialidase from Ruminococcus gnavus in complex with oseltamivir carboxylate | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, ACETYL GROUP, Anhydrosialidase, ... | Authors: | Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N. | Deposit date: | 2014-12-02 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Discovery of intramolecular trans-sialidases in human gut microbiota suggests novel mechanisms of mucosal adaptation. Nat Commun, 6, 2015
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3KUM
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![BU of 3kum by Molmil](/molmil-images/mine/3kum) | Crystal structure of Dipeptide Epimerase from Enterococcus faecalis V583 complexed with Mg and dipeptide L-Arg-L-Tyr | Descriptor: | ARGININE, Dipeptide Epimerase, MAGNESIUM ION, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Sakai, A, Gerlt, J.A, Almo, S.C. | Deposit date: | 2009-11-27 | Release date: | 2010-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily. Proc.Natl.Acad.Sci.USA, 109, 2012
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4X5B
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7QRS
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![BU of 7qrs by Molmil](/molmil-images/mine/7qrs) | Structural insight into the Scribble PDZ domains interaction with the oncogenic Human T-cell lymphotrophic virus-1 (HTLV-1) Tax1 | Descriptor: | ACETATE ION, GLYCEROL, Protein Tax-1, ... | Authors: | Javorsky, A, Soares da Costa, T.P, Mackie, E.R, Humbert, P.O, Kvansakul, M. | Deposit date: | 2022-01-12 | Release date: | 2022-09-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural insight into the Scribble PDZ domains interaction with the oncogenic Human T-cell lymphotrophic virus-1 (HTLV-1) Tax1 PBM. Febs J., 290, 2023
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6WLH
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7QRT
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![BU of 7qrt by Molmil](/molmil-images/mine/7qrt) | Structural insight into the Scribble PDZ domains interaction with the oncogenic Human T-cell lymphotrophic virus-1 (HTLV-1) Tax1 | Descriptor: | CHLORIDE ION, Protein Tax-1, Protein scribble homolog, ... | Authors: | Javorsky, A, Soares da Costa, T.P, Mackie, E.R, Humbert, P.O, Kvansakul, M, Maddumage, J.C. | Deposit date: | 2022-01-12 | Release date: | 2022-09-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insight into the Scribble PDZ domains interaction with the oncogenic Human T-cell lymphotrophic virus-1 (HTLV-1) Tax1 PBM. Febs J., 290, 2023
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4XAY
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![BU of 4xay by Molmil](/molmil-images/mine/4xay) | Cycles of destabilization and repair underlie evolutionary transitions in enzymes | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R8, ... | Authors: | Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N. | Deposit date: | 2014-12-16 | Release date: | 2015-12-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | The role of protein dynamics in the evolution of new enzyme function. Nat.Chem.Biol., 12, 2016
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6QMR
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![BU of 6qmr by Molmil](/molmil-images/mine/6qmr) | Complement factor D in complex with the inhibitor (S)-2-(2-((3'-(1-amino-2-hydroxyethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)acetic acid | Descriptor: | 2-[2-[[3-[3-[(1~{S})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid, Complement factor D | Authors: | Karki, R, Powers, J, Mainolfi, N, Anderson, K, Belanger, D, Liu, D, Jendza, K, Gelin, C.F, Solovay, C, Mac Sweeeny, A, Delgado, O, Crowley, M, Liao, S.-M, Argikar, U.A, Flohr, S, La Bonte, L.R, Lorthiois, E.L, Vulpetti, A, Cumin, F, Brown, A, Adams, C, Jaffee, B, Mogi, M. | Deposit date: | 2019-02-08 | Release date: | 2019-04-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design, Synthesis, and Preclinical Characterization of Selective Factor D Inhibitors Targeting the Alternative Complement Pathway. J.Med.Chem., 62, 2019
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1TY9
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![BU of 1ty9 by Molmil](/molmil-images/mine/1ty9) | X-RAY CRYSTAL STRUCTURE OF PHZG FROM PSEUDOMONAS FLUORESCENS | Descriptor: | FLAVIN MONONUCLEOTIDE, Phenazine biosynthesis protein phzG, SULFATE ION | Authors: | Parsons, J.F, Eisenstein, E, Ladner, J.E. | Deposit date: | 2004-07-07 | Release date: | 2004-11-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of the phenazine biosynthesis enzyme PhzG. Acta Crystallogr.,Sect.D, 60, 2004
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1QZM
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![BU of 1qzm by Molmil](/molmil-images/mine/1qzm) | alpha-domain of ATPase | Descriptor: | ATP-dependent protease La | Authors: | Botos, I, Melnikov, E.E, Cherry, S, Khalatova, A.G, Rasulova, F.S, Tropea, J.E, Maurizi, M.R, Rotanova, T.V, Gustchina, A, Wlodawer, A. | Deposit date: | 2003-09-17 | Release date: | 2004-05-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the AAA+ alpha domain of E. coli Lon protease at 1.9A resolution. J.Struct.Biol., 146
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6WX3
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![BU of 6wx3 by Molmil](/molmil-images/mine/6wx3) | High resolution Tryptophan Synthase crystal structure from Salmonella typhimurium in complex with F9 inhibitor in the alpha-site, Cesium ion at the metal coordination site and internal aldimine form. | Descriptor: | 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, BICINE, ... | Authors: | Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L. | Deposit date: | 2020-05-09 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | High resolution Tryptophan Synthase crystal structure from Salmonella typhimurium in complex with F9 inhibitor in the alpha-site, Cesium ion at the metal coordination site and internal aldimine form. To be Published
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7QUC
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![BU of 7quc by Molmil](/molmil-images/mine/7quc) | D. melanogaster alpha/beta tubulin heterodimer in the GDP form | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Wagstaff, J, Planelles-Herrero, V.J, Derivery, E, Lowe, J. | Deposit date: | 2022-01-17 | Release date: | 2022-09-21 | Last modified: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Diverse cytomotive actins and tubulins share a polymerization switch mechanism conferring robust dynamics. Sci Adv, 9, 2023
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6QOZ
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![BU of 6qoz by Molmil](/molmil-images/mine/6qoz) | CryoEM reconstruction of Cowpea Mosaic Virus (CPMV) bound to an Affimer reagent | Descriptor: | Affimer binding protein, Cowpea mosaic virus large subunit, RNA2 polyprotein | Authors: | Hesketh, E.L, Tiede, C, Adamson, H, Adams, T.L, Byrne, M.J, Meshcheriakova, Y, Lomonossoff, G.P, Kruse, I, McPherson, M.J, Tomlinson, D.C, Ranson, N.A. | Deposit date: | 2019-02-13 | Release date: | 2019-12-18 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Affimer reagents as tools in diagnosing plant virus diseases. Sci Rep, 9, 2019
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4XDK
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![BU of 4xdk by Molmil](/molmil-images/mine/4xdk) | Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) in complex with norfluoxetine | Descriptor: | (3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine, (3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | Authors: | Pike, A.C.W, Dong, Y.Y, Mackenzie, A, Mukhopadhyay, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2014-12-19 | Release date: | 2015-03-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | K2P channel gating mechanisms revealed by structures of TREK-2 and a complex with Prozac. Science, 347, 2015
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3L2P
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![BU of 3l2p by Molmil](/molmil-images/mine/3l2p) | Human DNA Ligase III Recognizes DNA Ends by Dynamic Switching Between Two DNA Bound States | Descriptor: | 5'-D(*GP*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*CP*CP*G)-3', 5'-D(*GP*TP*CP*GP*GP*AP*CP*TP*G)-3', 5'-D(P*CP*GP*GP*GP*AP*TP*GP*CP*GP*TP*C)-3', ... | Authors: | Cotner-Gohara, E.A, Kim, I.K, Hammel, M, Tainer, J.A, Tomkinson, A, Ellenberger, T. | Deposit date: | 2009-12-15 | Release date: | 2010-07-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Human DNA Ligase III Recognizes DNA Ends by Dynamic Switching between Two DNA-Bound States. Biochemistry, 49, 2010
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7QUD
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![BU of 7qud by Molmil](/molmil-images/mine/7qud) | D. melanogaster alpha/beta tubulin heterodimer in the GTP form | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Tubulin alpha-1 chain, ... | Authors: | Wagstaff, J, Planelles-Herrero, V.J, Derivery, E, Lowe, J. | Deposit date: | 2022-01-17 | Release date: | 2022-09-21 | Last modified: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (3.47 Å) | Cite: | Diverse cytomotive actins and tubulins share a polymerization switch mechanism conferring robust dynamics. Sci Adv, 9, 2023
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1TZL
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![BU of 1tzl by Molmil](/molmil-images/mine/1tzl) | Crystal Structure of Pyranose 2-Oxidase from the White-Rot Fungus Peniophora sp. | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, pyranose oxidase | Authors: | Bannwarth, M, Bastian, S, Heckmann-Pohl, D, Giffhorn, F, Schulz, G.E. | Deposit date: | 2004-07-10 | Release date: | 2004-10-19 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of pyranose 2-oxidase from the white-rot fungus peniophora sp. Biochemistry, 43, 2004
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3EZ5
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![BU of 3ez5 by Molmil](/molmil-images/mine/3ez5) | Cocrystal structure of Bacillus fragment DNA polymerase I with duplex DNA , dCTP, and zinc (closed form). | Descriptor: | 2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATE, 5'-D(*DAP*DTP*DTP*DCP*DGP*DAP*DGP*DTP*DCP*DAP*DGP*DG)-3', 5'-D(*DCP*DCP*DTP*DGP*DAP*DCP*DTP*DCP*DG)-3', ... | Authors: | Warren, J.J, Wu, E.Y, Golosov, A.A, Karplus, M, Beese, L.S. | Deposit date: | 2008-10-22 | Release date: | 2009-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Mechanism of the Translocation Step in DNA Replication by DNA Polymerase I: A Computer Simulation Analysis. Structure, 18, 2010
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5WCP
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![BU of 5wcp by Molmil](/molmil-images/mine/5wcp) | Phosphotriesterase variant S7 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ... | Authors: | Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N. | Deposit date: | 2017-07-01 | Release date: | 2019-01-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Phosphotriesterase variant S7 To Be Published
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4MM1
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![BU of 4mm1 by Molmil](/molmil-images/mine/4mm1) | GGGPS from Methanothermobacter thermautotrophicus | Descriptor: | Geranylgeranylglyceryl phosphate synthase, SN-GLYCEROL-1-PHOSPHATE, TRIETHYLENE GLYCOL | Authors: | Rajendran, C, Peterhoff, D, Beer, B, Kumpula, E.P, Kapetaniou, E, Guldan, H, Wierenga, R.K, Sterner, R, Babinger, P. | Deposit date: | 2013-09-07 | Release date: | 2014-06-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8004 Å) | Cite: | A comprehensive analysis of the geranylgeranylglyceryl phosphate synthase enzyme family identifies novel members and reveals mechanisms of substrate specificity and quaternary structure organization. Mol.Microbiol., 92, 2014
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6WCG
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6WCN
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6WCL
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1Z0C
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![BU of 1z0c by Molmil](/molmil-images/mine/1z0c) | Crystal Structure of A. fulgidus Lon proteolytic domain D508A mutant | Descriptor: | Putative protease La homolog type | Authors: | Botos, I, Melnikov, E.E, Cherry, S, Kozlov, S, Makhovskaya, O.V, Tropea, J.E, Gustchina, A, Rotanova, T.V, Wlodawer, A. | Deposit date: | 2005-03-01 | Release date: | 2005-08-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Atomic-resolution Crystal Structure of the Proteolytic Domain of Archaeoglobus fulgidus Lon Reveals the Conformational Variability in the Active Sites of Lon Proteases J.Mol.Biol., 351, 2005
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