1B2C
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6FZV
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7NUQ
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![BU of 7nuq by Molmil](/molmil-images/mine/7nuq) | Rhinovirus 14 virion-like at pH 6.2 | Descriptor: | Genome polyprotein, Octanucleotide | Authors: | Hrebik, D, Plevka, P. | Deposit date: | 2021-03-12 | Release date: | 2021-05-19 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | ICAM-1 induced rearrangements of capsid and genome prime rhinovirus 14 for activation and uncoating. Proc.Natl.Acad.Sci.USA, 118, 2021
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6XPM
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![BU of 6xpm by Molmil](/molmil-images/mine/6xpm) | Crystal Structure of Sialate O-acetylesterase from Bacteroides vulgatus with microfluidics crystals at room temperature | Descriptor: | Lysophospholipase L1, SODIUM ION | Authors: | Kim, Y, Johnson, J, Welk, L, Endres, M, Levens, A, Sherrell, D.A, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2020-07-08 | Release date: | 2020-07-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Sialate O-acetylesterase from Bacteroides vulgatus with microfluidics crystals at room temperature To Be Published
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7NUN
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![BU of 7nun by Molmil](/molmil-images/mine/7nun) | Rhinovirus 14 ICAM-1 virion-like particle at pH 6.2 | Descriptor: | Genome polyprotein, Octanucleotide | Authors: | Hrebik, D, Plevka, P. | Deposit date: | 2021-03-12 | Release date: | 2021-05-19 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | ICAM-1 induced rearrangements of capsid and genome prime rhinovirus 14 for activation and uncoating. Proc.Natl.Acad.Sci.USA, 118, 2021
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6Q8V
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7BCQ
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![BU of 7bcq by Molmil](/molmil-images/mine/7bcq) | ASCT2 in the presence of the inhibitor Lc-BPE (position "up") in the outward-open conformation. | Descriptor: | 4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid, Neutral amino acid transporter B(0) | Authors: | Garibsingh, R.A, Ndaru, E, Garaeva, A.A, Shi, Y, Zielewicz, L, Bonomi, M, Slotboom, D.J, Paulino, C, Grewer, C, Schlessinger, A. | Deposit date: | 2020-12-21 | Release date: | 2021-09-22 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.43 Å) | Cite: | Rational design of ASCT2 inhibitors using an integrated experimental-computational approach. Proc.Natl.Acad.Sci.USA, 118, 2021
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4WUC
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![BU of 4wuc by Molmil](/molmil-images/mine/4wuc) | N-terminal 43 kDa fragment of the E. coli DNA gyrase B subunit grown from 100 mM NaCl condition | Descriptor: | CHLORIDE ION, DNA gyrase subunit B, MAGNESIUM ION, ... | Authors: | Hearnshaw, S.J, Chung, T.T, Stevenson, C.E.M, Maxwell, A, Lawson, D.M. | Deposit date: | 2014-10-31 | Release date: | 2015-04-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The role of monovalent cations in the ATPase reaction of DNA gyrase Acta Crystallogr.,Sect.D, 71, 2015
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8A9G
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![BU of 8a9g by Molmil](/molmil-images/mine/8a9g) | Binary complex of 14-3-3 zeta Glucocorticoid Receptor (GR) pT524 peptide stabilised by (R)-para chloropyrrolidone1 | Descriptor: | 14-3-3 protein zeta/delta, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[(2~{R})-3-(4-chlorophenyl)carbonyl-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]-2-oxidanyl-benzoic acid, ... | Authors: | Munier, C.C, Edman, K, Perry, M.W.D, Ottmann, C. | Deposit date: | 2022-06-28 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.961 Å) | Cite: | Designing Selective Drug-like Molecular Glues for the Glucocorticoid Receptor/14-3-3 Protein-Protein Interaction. J.Med.Chem., 65, 2022
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7BIF
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![BU of 7bif by Molmil](/molmil-images/mine/7bif) | Crystal structure of v22WRAP-T, a 7-bladed designer protein | Descriptor: | v22WRAP-T | Authors: | Lee, X.Y, Mylemans, B, Laier, I, Voet, A.R.D. | Deposit date: | 2021-01-12 | Release date: | 2021-09-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure and stability of the designer protein WRAP-T and its permutants. Sci Rep, 11, 2021
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8RS9
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![BU of 8rs9 by Molmil](/molmil-images/mine/8rs9) | p97 (VCP) double mutant - F266A F539A | Descriptor: | Transitional endoplasmic reticulum ATPase | Authors: | Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A. | Deposit date: | 2024-01-24 | Release date: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | p97 (VCP) double mutant - F266A F539A To Be Published
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3K9V
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![BU of 3k9v by Molmil](/molmil-images/mine/3k9v) | Crystal structure of rat mitochondrial P450 24A1 S57D in complex with CHAPS | Descriptor: | 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ... | Authors: | Annalora, A.J, Goodin, D.B, Hong, W, Zhang, Q, Johnson, E.F, Stout, C.D. | Deposit date: | 2009-10-16 | Release date: | 2009-12-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of CYP24A1, a mitochondrial cytochrome P450 involved in vitamin D metabolism. J.Mol.Biol., 396, 2010
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6VW2
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![BU of 6vw2 by Molmil](/molmil-images/mine/6vw2) | Cryo-EM structure of human islet amyloid polypeptide (hIAPP, or amylin) fibrils | Descriptor: | Islet amyloid polypeptide (SUMO-tagged) | Authors: | Cao, Q, Boyer, D.R, Sawaya, M.R, Eisenberg, D.S. | Deposit date: | 2020-02-18 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM structure and inhibitor design of human IAPP (amylin) fibrils. Nat.Struct.Mol.Biol., 27, 2020
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5NGX
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![BU of 5ngx by Molmil](/molmil-images/mine/5ngx) | The 1.06 A resolution structure of the L16G mutant of ferric cytochrome c prime from Alcaligenes xylosoxidans, complexed with nitrite | Descriptor: | Cytochrome c', GLYCEROL, HEME C, ... | Authors: | Strange, R, Hough, M, Kekelli, D, Horrell, S, Moreno Chicano, T. | Deposit date: | 2017-03-20 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Distinguishing Nitro vs Nitrito Coordination in Cytochrome c' Using Vibrational Spectroscopy and Density Functional Theory. Inorg.Chem., 56, 2017
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8SRL
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6GBJ
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![BU of 6gbj by Molmil](/molmil-images/mine/6gbj) | Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, Parathion hydrolase, ... | Authors: | Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J. | Deposit date: | 2018-04-15 | Release date: | 2018-10-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Automated Design of Efficient and Functionally Diverse Enzyme Repertoires. Mol. Cell, 72, 2018
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6CP5
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![BU of 6cp5 by Molmil](/molmil-images/mine/6cp5) | Monomer yeast ATP synthase Fo reconstituted in nanodisc with inhibitor of oligomycin bound generated from focused refinement. | Descriptor: | ATP synthase protein 8, ATP synthase subunit 4, mitochondrial, ... | Authors: | Srivastava, A.P, Luo, M, Symersky, J, Liao, M.F, Mueller, D.M. | Deposit date: | 2018-03-13 | Release date: | 2018-04-11 | Last modified: | 2020-01-15 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | High-resolution cryo-EM analysis of the yeast ATP synthase in a lipid membrane. Science, 360, 2018
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5EDS
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![BU of 5eds by Molmil](/molmil-images/mine/5eds) | Crystal structure of human PI3K-gamma in complex with benzimidazole inhibitor 5 | Descriptor: | 4-azanyl-6-[[(1~{S})-1-[6-fluoranyl-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2015-10-21 | Release date: | 2015-12-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery, Optimization, and in Vivo Evaluation of Benzimidazole Derivatives AM-8508 and AM-9635 as Potent and Selective PI3K delta Inhibitors. J.Med.Chem., 59, 2016
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5JZB
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![BU of 5jzb by Molmil](/molmil-images/mine/5jzb) | Crystal structure of HsaD bound to 3,5-dichlorobenzene sulphonamide | Descriptor: | 3,5-dichlorobenzene-1-sulfonamide, 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, PHOSPHATE ION | Authors: | Ryan, A, Polycarpou, E, Lack, N.A, Evangelopoulos, D, Sieg, C, Halman, A, Bhakta, S, Sinclair, A, Eleftheriadou, O, McHugh, T.D, Keany, S, Lowe, E, Ballet, R, Abihammad, A, Ciulli, A, Sim, E. | Deposit date: | 2016-05-16 | Release date: | 2017-04-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach. Br. J. Pharmacol., 174, 2017
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6XWX
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![BU of 6xwx by Molmil](/molmil-images/mine/6xwx) | Crystal structure of the Tof1-Csm3 complex | Descriptor: | Chromosome segregation in meiosis protein, Uncharacterized protein,Uncharacterized protein | Authors: | Grabarczyk, D.B. | Deposit date: | 2020-01-24 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure and interactions of the Tof1-Csm3 (Timeless-Tipin) fork protection complex. Nucleic Acids Res., 48, 2020
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5NEP
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![BU of 5nep by Molmil](/molmil-images/mine/5nep) | The structure of the G. violaceus guanidine II riboswitch P1 stem-loop with methylguanidine | Descriptor: | 1-METHYLGUANIDINE, RNA (5'-R(*GP*GP*UP*GP*GP*GP*GP*AP*CP*GP*AP*CP*CP*CP*CP*AP*(CBV)P*C)-3'), SODIUM ION, ... | Authors: | Huang, L, Wang, J, Lilley, D.M.J. | Deposit date: | 2017-03-11 | Release date: | 2017-05-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Structure of the Guanidine-II Riboswitch. Cell Chem Biol, 24, 2017
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5K0X
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![BU of 5k0x by Molmil](/molmil-images/mine/5k0x) | Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC2541 | Descriptor: | (7S)-7-amino-N-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide, CHLORIDE ION, Tyrosine-protein kinase Mer | Authors: | McIver, A.L, Zhang, W, Liu, Q, Jiang, X, Stashko, M.A, Nichols, J, Miley, M.J, Norris-Drouin, J, Machius, M, DeRyckere, D, Wood, E, Graham, D.K, Earp, H.S, Kireev, D, Frye, S.V, Wang, X. | Deposit date: | 2016-05-17 | Release date: | 2017-02-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.231 Å) | Cite: | Discovery of Macrocyclic Pyrimidines as MerTK-Specific Inhibitors. ChemMedChem, 12, 2017
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6GBK
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![BU of 6gbk by Molmil](/molmil-images/mine/6gbk) | Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, Parathion hydrolase, ... | Authors: | Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J. | Deposit date: | 2018-04-15 | Release date: | 2018-10-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Automated Design of Efficient and Functionally Diverse Enzyme Repertoires. Mol. Cell, 72, 2018
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1B2F
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6HWO
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![BU of 6hwo by Molmil](/molmil-images/mine/6hwo) | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-1335 | Descriptor: | 1,2-ETHANEDIOL, 3-[5-[(4aR,8aS)-4-OXIDANYLIDENE-3-PROPAN-2-YL-4a,5,8,8a-TETRAHYDROPHTHALAZIN-1-YL]-2-METHOXY-PHENYL]-N-(PHENYLMETHYL)PROP-2-YNAMIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2018-10-12 | Release date: | 2019-07-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2). Bioorg.Med.Chem., 27, 2019
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