7AKX
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![BU of 7akx by Molmil](/molmil-images/mine/7akx) | Crystal structure of the viral rhodopsin OLPVR1 in P1 space group | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, OLEIC ACID, ... | Authors: | Kovalev, K, Zabelskii, D, Alekseev, A, Astashkin, R, Gordeliy, V. | Deposit date: | 2020-10-02 | Release date: | 2020-11-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Viral rhodopsins 1 are an unique family of light-gated cation channels. Nat Commun, 11, 2020
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8OFB
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![BU of 8ofb by Molmil](/molmil-images/mine/8ofb) | Crystal Structure of T. maritima reverse gyrase with a minimal latch, hexagonal form | Descriptor: | CHLORIDE ION, HEXAETHYLENE GLYCOL, Reverse gyrase, ... | Authors: | Klostermeier, D, Rasche, R, Mhaindarkar, V, Kummel, D, Rudolph, M.G. | Deposit date: | 2023-03-15 | Release date: | 2023-04-26 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structure of reverse gyrase with a minimal latch that supports ATP-dependent positive supercoiling without specific interactions with the topoisomerase domain. Acta Crystallogr D Struct Biol, 79, 2023
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4X1E
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![BU of 4x1e by Molmil](/molmil-images/mine/4x1e) | Crystal structure of unliganded E. coli transcriptional regulator RutR, W167A mutant | Descriptor: | HTH-type transcriptional regulator RutR | Authors: | Nguyen Le Minh, P, de Cima, S, Bervoets, I, Maes, D, Rubio, V, Charlier, D. | Deposit date: | 2014-11-24 | Release date: | 2015-01-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Ligand binding specificity of RutR, a member of the TetR family of transcription regulators in Escherichia coli. Febs Open Bio, 5, 2015
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4ZK7
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![BU of 4zk7 by Molmil](/molmil-images/mine/4zk7) | Crystal structure of rescued two-component self-assembling tetrahedral cage T33-31 | Descriptor: | Chorismate mutase, Divalent-cation tolerance protein CutA | Authors: | Liu, Y, Cascio, D, Sawaya, M.R, Bale, J, Collazo, M.J, Park, R, King, N, Baker, D, Yeates, T. | Deposit date: | 2015-04-30 | Release date: | 2015-07-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure of a designed tetrahedral protein assembly variant engineered to have improved soluble expression. Protein Sci., 24, 2015
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6QMT
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![BU of 6qmt by Molmil](/molmil-images/mine/6qmt) | Complement factor D in complex with the inhibitor 2-(2-(3'-(aminomethyl)-[1,1'-biphenyl]-3-carboxamido)phenyl)acetic acid | Descriptor: | 2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]carbonylamino]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 (1.8 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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4WUY
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![BU of 4wuy by Molmil](/molmil-images/mine/4wuy) | Crystal Structure of Protein Lysine Methyltransferase SMYD2 in complex with LLY-507, a Cell-Active, Potent and Selective Inhibitor | Descriptor: | 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}-N-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide, GLYCEROL, N-lysine methyltransferase SMYD2, ... | Authors: | Nguyen, H, Allali-Hassani, A, Antonysamy, S, Chang, S, Chen, L.H, Curtis, C, Emtage, S, Fan, L, Gheyi, T, Li, F, Liu, S, Martin, J.R, Mendel, D, Olsen, J.B, Pelletier, L, Shatseva, T, Wu, S, Zhang, F.F, Arrowsmith, C.H, Brown, P.J, Campbell, R.M, Garcia, B.A, Barsyte-Lovejoy, D, Mader, M, Vedadi, M. | Deposit date: | 2014-11-04 | Release date: | 2015-04-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | LLY-507, a Cell-active, Potent, and Selective Inhibitor of Protein-lysine Methyltransferase SMYD2. J.Biol.Chem., 290, 2015
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1OGW
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![BU of 1ogw by Molmil](/molmil-images/mine/1ogw) | Synthetic Ubiquitin with fluoro-Leu at 50 and 67 | Descriptor: | UBIQUITIN | Authors: | Alexeev, D, Ramage, R, Young, D.W, Sawyer, L. | Deposit date: | 2003-05-13 | Release date: | 2003-05-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Synthesis, Structural and Biological Studies of Ubiquitin Mutants Containing (2S, 4S)-5-Fluoroleucine Residues Strategically Placed in the Hydrophobic Core Chembiochem, 4, 2003
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1OKV
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![BU of 1okv by Molmil](/molmil-images/mine/1okv) | Cyclin A binding groove inhibitor H-Arg-Arg-Leu-Ile-Phe-NH2 | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, H-ARG-ARG-LEU-ILE-PHE-NH2 | Authors: | Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P. | Deposit date: | 2003-07-30 | Release date: | 2003-12-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange Structure, 11, 2003
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5YYC
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![BU of 5yyc by Molmil](/molmil-images/mine/5yyc) | Crystal structure of alanine racemase from Bacillus pseudofirmus (OF4) | Descriptor: | Alanine racemase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Dong, H, Hu, T.T, He, G.Z, Lu, D.R, Qi, J.X, Dou, Y.S, Long, W, He, X, Su, D, Ju, J.S. | Deposit date: | 2017-12-08 | Release date: | 2019-01-02 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Structural features and kinetic characterization of alanine racemase from Bacillus pseudofirmus OF4. Biochem. Biophys. Res. Commun., 497, 2018
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1COL
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![BU of 1col by Molmil](/molmil-images/mine/1col) | REFINED STRUCTURE OF THE PORE-FORMING DOMAIN OF COLICIN A AT 2.4 ANGSTROMS RESOLUTION | Descriptor: | COLICIN A | Authors: | Parker, M.W, Postma, J.P.M, Pattus, F, Tucker, A.D, Tsernoglou, D. | Deposit date: | 1991-07-06 | Release date: | 1992-07-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Refined structure of the pore-forming domain of colicin A at 2.4 A resolution. J.Mol.Biol., 224, 1992
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4UEB
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5X2X
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5X67
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![BU of 5x67 by Molmil](/molmil-images/mine/5x67) | Human thymidylate synthase in complex with dUMP and nolatrexed | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-azanyl-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one, Thymidylate synthase | Authors: | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | Deposit date: | 2017-02-21 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states. J. Biol. Chem., 292, 2017
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5XEQ
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![BU of 5xeq by Molmil](/molmil-images/mine/5xeq) | Crystal Structure of human MDGA1 and human neuroligin-2 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MAM domain-containing glycosylphosphatidylinositol anchor protein 1, ... | Authors: | Kim, H.M, Kim, J.A, Kim, D. | Deposit date: | 2017-04-05 | Release date: | 2017-07-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.136 Å) | Cite: | Structural Insights into Modulation of Neurexin-Neuroligin Trans-synaptic Adhesion by MDGA1/Neuroligin-2 Complex Neuron, 94, 2017
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5BRV
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![BU of 5brv by Molmil](/molmil-images/mine/5brv) | Catalytic Improvement of an Artificial Metalloenzyme by Computational Design | Descriptor: | Carbonic anhydrase 2, ZINC ION, pentamethylcyclopentadienyl iridium [N-benzensulfonamide-(2-pyridylmethyl-4-benzensulfonamide)amin] chloride | Authors: | Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R. | Deposit date: | 2015-06-01 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design. J.Am.Chem.Soc., 137, 2015
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5ZU1
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![BU of 5zu1 by Molmil](/molmil-images/mine/5zu1) | Crystal Structure of BZ junction in diverse sequence | Descriptor: | DNA (5'-D(*AP*CP*GP*GP*TP*TP*TP*AP*AP*GP*GP*CP*GP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*TP*CP*GP*CP*GP*CP*GP*CP*CP*TP*TP*AP*AP*AP*CP*C)-3'), Double-stranded RNA-specific adenosine deaminase | Authors: | Kim, K.K, Kim, D. | Deposit date: | 2018-05-05 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.009 Å) | Cite: | Sequence preference and structural heterogeneity of BZ junctions. Nucleic Acids Res., 46, 2018
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5X2V
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5X41
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![BU of 5x41 by Molmil](/molmil-images/mine/5x41) | 3.5A resolution structure of a cobalt energy-coupling factor transporter using LCP method-CbiMQO | Descriptor: | Cobalt ABC transporter ATP-binding protein, Cobalt transport protein CbiM, Uncharacterized protein CbiQ | Authors: | Bao, Z, Qi, X, Zhao, W, Li, D, Zhang, P. | Deposit date: | 2017-02-09 | Release date: | 2017-04-19 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.47 Å) | Cite: | Structure and mechanism of a group-I cobalt energy coupling factor transporter Cell Res., 27, 2017
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5X2Y
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5X2W
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![BU of 5x2w by Molmil](/molmil-images/mine/5x2w) | |
5X2Z
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5XG5
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![BU of 5xg5 by Molmil](/molmil-images/mine/5xg5) | Crystal structure of Mitsuba-1 with bound NAcGal | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MITSUBA-1 | Authors: | Terada, D, Voet, A.R.D, Kamata, K, Zhang, K.Y.J, Tame, J.R.H. | Deposit date: | 2017-04-12 | Release date: | 2017-07-12 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Computational design of a symmetrical beta-trefoil lectin with cancer cell binding activity. Sci Rep, 7, 2017
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5E7C
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![BU of 5e7c by Molmil](/molmil-images/mine/5e7c) | Macromolecular diffractive imaging using imperfect crystals - Bragg data | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Ayyer, K, Yefanov, O, Oberthuer, D, Roy-Chowdhury, S, Galli, L, Mariani, V, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Schaffner, A, Doerner, K, James, D, Kupitz, C, Metz, M, Nelson, G, Xavier, P.L, Beyerlein, K.R, Schmidt, M, Sarrou, I, Spence, J.C.H, Weierstall, U, White, T.A, Yang, J.-H, Zhao, Y, Liang, M, Aquila, A, Hunter, M.S, Robinson, J.S, Koglin, J.E, Boutet, S, Fromme, P, Barty, A, Chapman, H.N. | Deposit date: | 2015-10-12 | Release date: | 2016-02-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (4.5 Å) | Cite: | Macromolecular diffractive imaging using imperfect crystals. Nature, 530, 2016
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5ZUO
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![BU of 5zuo by Molmil](/molmil-images/mine/5zuo) | Crystal Structure of BZ junction in diverse sequence | Descriptor: | DNA (5'-D(*AP*CP*GP*GP*TP*TP*TP*AP*TP*CP*GP*CP*GP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*TP*CP*GP*CP*GP*CP*GP*CP*GP*AP*TP*AP*AP*AP*CP*C)-3'), Double-stranded RNA-specific adenosine deaminase | Authors: | Kim, K.K, Kim, D. | Deposit date: | 2018-05-08 | Release date: | 2018-08-29 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.902 Å) | Cite: | Sequence preference and structural heterogeneity of BZ junctions. Nucleic Acids Res., 46, 2018
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5ZUP
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![BU of 5zup by Molmil](/molmil-images/mine/5zup) | Crystal Structure of BZ junction in diverse sequence | Descriptor: | (5'-D(*AP*CP*GP*GP*TP*TP*TP*AP*TP*CP*GP*CP*GP*CP*GP*CP*G)-3'), (5'-D(*GP*TP*CP*GP*CP*GP*CP*GP*CP*AP*AP*TP*AP*AP*AP*CP*C)-3'), Double-stranded RNA-specific adenosine deaminase | Authors: | Kim, K.K, Kim, D. | Deposit date: | 2018-05-08 | Release date: | 2018-08-29 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Sequence preference and structural heterogeneity of BZ junctions. Nucleic Acids Res., 46, 2018
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