6WF4
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![BU of 6wf4 by Molmil](/molmil-images/mine/6wf4) | Crystal Structure of TerC Co-crystallized with Polyporic Acid | Descriptor: | (2~5~S)-2~3~,2~5~,2~6~-trihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~(2~5~H)-one, ISOPROPYL ALCOHOL, Terfestatin Biosyntheis Enzyme C | Authors: | Clinger, J.A, Miller, M.D, Hall, R.E, Zhang, Y, Elshahawi, S.I, Thorson, J.S, Van Lanen, S.G, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2020-04-03 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural and functional characterization of two cooperative enzymes responsible for the stability
of p-terphenyls. To be published
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2Y44
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![BU of 2y44 by Molmil](/molmil-images/mine/2y44) | Crystal structure of GARP from Trypanosoma congolense | Descriptor: | GLUTAMIC ACID/ALANINE-RICH PROTEIN, GLYCEROL, IODIDE ION | Authors: | Loveless, B.C, Mason, J.W, Sakurai, T, Inoue, N, Razavi, M, Pearson, T.W, Boulanger, M.J. | Deposit date: | 2011-01-04 | Release date: | 2011-03-30 | Last modified: | 2012-11-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Characterization and Epitope Mapping of the Glutamic Acid/Alanine-Rich Protein from Trypanosoma Congolense: Defining Assembly on the Parasite Cell Surface. J.Biol.Chem., 286, 2011
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6RIO
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![BU of 6rio by Molmil](/molmil-images/mine/6rio) | Imidazole Polyamide-DNA complex NMR structure (5'-CGATGTACATCG-3') | Descriptor: | 3-[3-[[4-[[4-[[4-[[4-[[(2~{R})-2-azaniumyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoyl]amino]-1-methyl-imidazol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]propanoylamino]propyl-dimethyl-azanium, DNA (5'-(*(DC5)P*GP*AP*TP*GP*TP*AP*CP*AP*TP*CP*(DG3))-3') | Authors: | Padroni, G, Withers, J.M, Taladriz-Sender, A, Reichenbach, L.F, Parkinson, J.A, Burley, G.A. | Deposit date: | 2019-04-24 | Release date: | 2019-06-12 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Sequence-Selective Minor Groove Recognition of a DNA Duplex Containing Synthetic Genetic Components. J.Am.Chem.Soc., 141, 2019
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3BUJ
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![BU of 3buj by Molmil](/molmil-images/mine/3buj) | Crystal Structure of CalO2 | Descriptor: | CalO2, PROTOPORPHYRIN IX CONTAINING FE | Authors: | McCoy, J.G, Johnson, H.D, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N. | Deposit date: | 2008-01-02 | Release date: | 2008-04-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Structural characterization of CalO2: a putative orsellinic acid P450 oxidase in the calicheamicin biosynthetic pathway. Proteins, 74, 2009
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5KZ5
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![BU of 5kz5 by Molmil](/molmil-images/mine/5kz5) | Architecture of the Human Mitochondrial Iron-Sulfur Cluster Assembly Machinery: the Complex Formed by the Iron Donor, the Sulfur Donor, and the Scaffold | Descriptor: | Cysteine desulfurase, mitochondrial, Frataxin, ... | Authors: | Gakh, O, Ranatunga, W, Smith, D.Y, Ahlgren, E.C, Al-Karadaghi, S, Thompson, J.R, Isaya, G. | Deposit date: | 2016-07-22 | Release date: | 2016-08-31 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (14.3 Å) | Cite: | Architecture of the Human Mitochondrial Iron-Sulfur Cluster Assembly Machinery. J.Biol.Chem., 291, 2016
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6GCR
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![BU of 6gcr by Molmil](/molmil-images/mine/6gcr) | Focal Adhesion Kinase catalytic domain in complex with irreversible inhibitor | Descriptor: | 2-[[2-[[4-[[[3,4-bis(oxidanylidene)-2-[2-(propanoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]phenyl]amino]-5-chloranyl-pyrimidin-4-yl]amino]-~{N}-methyl-benzamide, Focal adhesion kinase 1 | Authors: | Yen-Pon, E, Li, B, Acebron-Garcia de Eulate, M, Tomkiewicz-Raulet, C, Dawson, J, Lietha, D, Frame, M.C, Coumoul, X, Garbay, C, Etheve-Quelquejeu, M, Chen, H. | Deposit date: | 2018-04-19 | Release date: | 2019-05-01 | Last modified: | 2019-10-02 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Design, Synthesis, and Characterization of the First Irreversible Inhibitor of Focal Adhesion Kinase. Acs Chem.Biol., 13, 2018
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6U8P
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![BU of 6u8p by Molmil](/molmil-images/mine/6u8p) | Crystal structure of DNMT3B-DNMT3L in complex with CpGpA DNA | Descriptor: | CpGpA DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ... | Authors: | Gao, L, Song, J. | Deposit date: | 2019-09-05 | Release date: | 2020-06-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms. Nat Commun, 11, 2020
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6U8V
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![BU of 6u8v by Molmil](/molmil-images/mine/6u8v) | Crystal structure of DNMT3B-DNMT3L in complex with CpGpT DNA | Descriptor: | CpGpT DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ... | Authors: | Gao, L, Zhang, Z.M, Song, J. | Deposit date: | 2019-09-06 | Release date: | 2020-06-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms. Nat Commun, 11, 2020
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6U8W
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![BU of 6u8w by Molmil](/molmil-images/mine/6u8w) | Crystal structure of DNMT3B(K777A)-DNMT3L in complex with CpGpT DNA | Descriptor: | CpGpT DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ... | Authors: | Gao, L, Zhang, Z.M, Song, J. | Deposit date: | 2019-09-06 | Release date: | 2020-06-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.94891548 Å) | Cite: | Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms. Nat Commun, 11, 2020
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7CVS
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![BU of 7cvs by Molmil](/molmil-images/mine/7cvs) | Crystal structure of the C85A/L194A mutant CLC-ec1 with Fab fragment | Descriptor: | CHLORIDE ION, H(+)/Cl(-) exchange transporter ClcA, antibody Fab fragment heavy chain, ... | Authors: | Park, K, Mersch, K, Robertson, J, Lim, H.-H. | Deposit date: | 2020-08-27 | Release date: | 2021-09-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Altering CLC stoichiometry by reducing non-polar side-chains at the dimerization interface. J.Mol.Biol., 433, 2021
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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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5IBY
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4XR9
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![BU of 4xr9 by Molmil](/molmil-images/mine/4xr9) | Crystal structure of CalS8 from Micromonospora echinospora cocrystallized with NAD and TDP-glucose | Descriptor: | CalS8, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Michalska, K, Bigelow, L, Endres, M, Babnigg, G, Bingman, C.A, Yennamalli, R.M, Singh, S, Kharel, M.K, Thorson, J.S, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2015-01-20 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of CalS8 from Micromonospora echinospora To Be Published
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4XCR
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![BU of 4xcr by Molmil](/molmil-images/mine/4xcr) | Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, mutant I35A | Descriptor: | Superoxide dismutase [Cu-Zn] | Authors: | Wang, H, Logan, D.T, Danielsson, J, Mu, X, Binolfi, A, Theillet, F, Bekei, B, Lang, L, Wennerstrom, H, Selenko, P, Oliveberg, M. | Deposit date: | 2014-12-18 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.602 Å) | Cite: | Thermodynamics of protein destabilization in live cells. Proc. Natl. Acad. Sci. U.S.A., 112, 2015
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7AH0
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![BU of 7ah0 by Molmil](/molmil-images/mine/7ah0) | Crystal structure of the de novo designed two-heme binding protein, 4D2 | Descriptor: | 4D2, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Hutchins, G.H, Parnell, A.E, Anderson, J.L.R. | Deposit date: | 2020-09-23 | Release date: | 2021-10-06 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | An expandable, modular de novo protein platform for precision redox engineering. Proc.Natl.Acad.Sci.USA, 120, 2023
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5Y7X
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![BU of 5y7x by Molmil](/molmil-images/mine/5y7x) | Human Peroxisome proliferator-activated receptor (PPAR) delta in complexed with a potent and selective agonist | Descriptor: | 2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-selenazol-5-yl]methylsulfanyl]phenoxy]ethanoic acid, CHLORIDE ION, POTASSIUM ION, ... | Authors: | Kim, H.L, Chin, J.W, Cho, S.J, Song, J.Y, Yoon, H.S, Bae, J.H. | Deposit date: | 2017-08-18 | Release date: | 2018-08-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | Design, synthesis, and the X-ray co-crystal structure of Highly Potent, Selective, and Orally Bioavailable, Novel Peroxisome Proliferator-Activated Receptor delta Agonists To Be Published
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5ITQ
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![BU of 5itq by Molmil](/molmil-images/mine/5itq) | Crystal Structure of Human NEIL1, Free Protein | Descriptor: | Endonuclease 8-like 1 | Authors: | Zhu, C, Lu, L, Zhang, J, Yue, Z, Song, J, Zong, S, Liu, M, Stovicek, O, Gao, Y, Yi, C. | Deposit date: | 2016-03-17 | Release date: | 2016-07-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Tautomerization-dependent recognition and excision of oxidation damage in base-excision DNA repair Proc.Natl.Acad.Sci.USA, 113, 2016
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5KBW
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![BU of 5kbw by Molmil](/molmil-images/mine/5kbw) | |
7KW7
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![BU of 7kw7 by Molmil](/molmil-images/mine/7kw7) | Atomic cryoEM structure of Hsp90-Hsp70-Hop-GR | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Glucocorticoid receptor, Heat shock 70 kDa protein 1A, ... | Authors: | Wang, R.Y, Noddings, C.M, Kirschke, E, Myasnikov, A, Johnson, J.L, Agard, D.A. | Deposit date: | 2020-11-30 | Release date: | 2021-12-08 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.57 Å) | Cite: | Structure of Hsp90-Hsp70-Hop-GR reveals the Hsp90 client-loading mechanism. Nature, 601, 2022
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8HUA
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![BU of 8hua by Molmil](/molmil-images/mine/8hua) | Serial synchrotron crystallography structure of ba3-type cytochrome c oxidase from Thermus thermophilus using a goniometer compatible flow-cell | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, ... | Authors: | Ghosh, S, Zoric, D, Bjelcic, M, Johannesson, J, Sandelin, E, Branden, G, Neutze, R. | Deposit date: | 2022-12-22 | Release date: | 2023-03-01 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | A simple goniometer-compatible flow cell for serial synchrotron X-ray crystallography. J.Appl.Crystallogr., 56, 2023
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5KC4
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![BU of 5kc4 by Molmil](/molmil-images/mine/5kc4) | Structure of TmRibU, orthorhombic crystal form | Descriptor: | RIBOFLAVIN, Riboflavin transporter RibU, nonyl beta-D-glucopyranoside | Authors: | Karpowich, N.K, Wang, D.N, Song, J.M. | Deposit date: | 2016-06-04 | Release date: | 2016-06-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | An Aromatic Cap Seals the Substrate Binding Site in an ECF-Type S Subunit for Riboflavin. J.Mol.Biol., 428, 2016
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5KC0
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![BU of 5kc0 by Molmil](/molmil-images/mine/5kc0) | Crystal structure of TmRibU, hexagonal crystal form | Descriptor: | RIBOFLAVIN, Riboflavin transporter RibU, nonyl beta-D-glucopyranoside | Authors: | Karpowich, N.K, Wang, D.N, Song, J.M. | Deposit date: | 2016-06-03 | Release date: | 2016-06-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.2001 Å) | Cite: | An Aromatic Cap Seals the Substrate Binding Site in an ECF-Type S Subunit for Riboflavin. J.Mol.Biol., 428, 2016
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5JXM
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![BU of 5jxm by Molmil](/molmil-images/mine/5jxm) | Crystal Structure of Prenyltransferase PriB Apo Form | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, PriB | Authors: | Cao, H, Elshahawi, S, Benach, J, Wasserman, S.R, Morisco, L.L, Koss, J.W, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2016-05-13 | Release date: | 2016-06-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structure and specificity of a permissive bacterial C-prenyltransferase. Nat. Chem. Biol., 13, 2017
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5K9M
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![BU of 5k9m by Molmil](/molmil-images/mine/5k9m) | Crystal Structure of PriB Binary Complex with Product Diphosphate | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PYROPHOSPHATE 2-, PriB Prenyltransferase | Authors: | Cao, H, Elshahawi, S, Benach, J, Wasserman, S.R, Morisco, L.L, Koss, J.W, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2016-06-01 | Release date: | 2016-06-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure and specificity of a permissive bacterial C-prenyltransferase. Nat. Chem. Biol., 13, 2017
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1NOV
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![BU of 1nov by Molmil](/molmil-images/mine/1nov) | NODAMURA VIRUS | Descriptor: | NODAMURA VIRUS COAT PROTEINS | Authors: | Natarajan, P, Johnson, J.E. | Deposit date: | 1997-09-16 | Release date: | 1998-01-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Resolution of space-group ambiguity and structure determination of nodamura virus to 3.3 A resolution from pseudo-R32 (monoclinic) crystals. Acta Crystallogr.,Sect.D, 53, 1997
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