3ZS5
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![BU of 3zs5 by Molmil](/molmil-images/mine/3zs5) | Structural basis for kinase selectivity of three clinical p38alpha inhibitors | Descriptor: | 1,2-ETHANEDIOL, 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, MITOGEN-ACTIVATED PROTEIN KINASE 14, ... | Authors: | Azevedo, R, van Zeeland, M, Raaijmakers, H.C.A, Kazemier, B, Oubrie, A. | Deposit date: | 2011-06-23 | Release date: | 2012-07-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | X-ray structure of p38 alpha bound to TAK-715: comparison with three classic inhibitors. Acta Crystallogr. D Biol. Crystallogr., 68, 2012
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2L4N
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3X2L
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![BU of 3x2l by Molmil](/molmil-images/mine/3x2l) | X-ray structure of PcCel45A apo form at 95K. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-methylpentane-1,5-diol, Endoglucanase V-like protein | Authors: | Nakamura, A, Ishida, T, Ohta, K, Tanaka, H, Inaka, K, Samejima, M, Igarashi, K. | Deposit date: | 2014-12-22 | Release date: | 2015-10-14 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (0.83 Å) | Cite: | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography. Sci Adv, 1, 2015
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3ZJE
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![BU of 3zje by Molmil](/molmil-images/mine/3zje) | A20 OTU domain in reversibly oxidised (SOH) state | Descriptor: | 1,2-ETHANEDIOL, A20P50, CHLORIDE ION | Authors: | Kulathu, Y, Garcia, F.J, Mevissen, T.E.T, Busch, M, Arnaudo, N, Carroll, K.S, Barford, D, Komander, D. | Deposit date: | 2013-01-17 | Release date: | 2013-03-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Regulation of A20 and Other Otu Deubiquitinases by Reversible Oxidation Nat.Commun., 4, 2013
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4F60
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![BU of 4f60 by Molmil](/molmil-images/mine/4f60) | Crystal structure of Rhodococcus rhodochrous haloalkane dehalogenase mutant (T148L, G171Q, A172V, C176F). | Descriptor: | FLUORIDE ION, Haloalkane dehalogenase | Authors: | Plevaka, M, Kuta-Smatanova, I, Rezacova, P. | Deposit date: | 2012-05-14 | Release date: | 2013-01-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Engineering enzyme stability and resistance to an organic cosolvent by modification of residues in the access tunnel. Angew.Chem.Int.Ed.Engl., 52, 2013
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3ZK8
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![BU of 3zk8 by Molmil](/molmil-images/mine/3zk8) | CRYSTAL STRUCTURE OF PNEUMOCOCCAL SURFACE ANTIGEN PSAA E205Q IN THE METAL-FREE, OPEN STATE | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN | Authors: | Counago, R.M, Ween, M.P, Bajaj, M, Zuegg, J, Cooper, M.A, McEwan, A.G, Paton, J.C, Kobe, B, McDevitt, C.A. | Deposit date: | 2013-01-22 | Release date: | 2013-11-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Imperfect coordination chemistry facilitates metal ion release in the Psa permease. Nat. Chem. Biol., 10, 2014
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2LA8
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2LGE
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4XL5
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![BU of 4xl5 by Molmil](/molmil-images/mine/4xl5) | X-ray structure of bGFP-A / EGFP complex | Descriptor: | Green fluorescent protein, bGFP-A | Authors: | Chevrel, A, Urvoas, A, Li de la Sierra-Gallay, I, Van Tilbeurgh, H, Minard, P, Valerio-Lepiniec, M. | Deposit date: | 2015-01-13 | Release date: | 2015-08-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Specific GFP-binding artificial proteins ( alpha Rep): a new tool for in vitro to live cell applications. Biosci.Rep., 35, 2015
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2LM3
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![BU of 2lm3 by Molmil](/molmil-images/mine/2lm3) | Structure of the rhesus monkey TRIM5alpha PRYSPRY domain | Descriptor: | Tripartite motif-containing protein 5 | Authors: | Biris, N, Yang, Y, Taylor, A.B, Tomashevski, A, Guo, M, Hart, P.J, Diaz-Griffero, F, Ivanov, D.N. | Deposit date: | 2011-11-21 | Release date: | 2012-08-08 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure of the rhesus monkey TRIM5alpha PRYSPRY domain, the HIV capsid recognition module. Proc.Natl.Acad.Sci.USA, 109, 2012
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2LLL
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![BU of 2lll by Molmil](/molmil-images/mine/2lll) | Solution NMR structure of C-terminal globular domain of human Lamin-B2, Northeast Structural Genomics Consortium target HR8546A | Descriptor: | Lamin-B2 | Authors: | Lemak, A, Yee, A, Houliston, S, Garcia, M, Xu, C, Min, J, Montelione, G.T, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG), Structural Genomics Consortium (SGC), Chaperone-Enabled Studies of Epigenetic Regulation Enzymes (CEBS) | Deposit date: | 2011-11-11 | Release date: | 2011-12-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR solution structure of c-terminal globular domain of human Lamin-B2 To be Published
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3ZDG
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![BU of 3zdg by Molmil](/molmil-images/mine/3zdg) | Crystal Structure of Ls-AChBP complexed with carbamoylcholine analogue 3-(dimethylamino)butyl dimethylcarbamate (DMABC) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(dimethylamino)butyl dimethylcarbamate, ACETYLCHOLINE BINDING PROTEIN, ... | Authors: | Ussing, C.A, Hansen, C.P, Petersen, J.G, Jensen, A.A, Rohde, L.A.H, Ahring, P.K, Nielsen, E.O, Kastrup, J.S, Gajhede, M, Frolund, B, Balle, T. | Deposit date: | 2012-11-26 | Release date: | 2013-02-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Synthesis, Pharmacology, and Biostructural Characterization of Novel Alpha(4)Beta(2) Nicotinic Acetylcholine Receptor Agonists. J.Med.Chem., 56, 2013
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2LQH
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![BU of 2lqh by Molmil](/molmil-images/mine/2lqh) | NMR structure of FOXO3a transactivation domains (CR2C-CR3) in complex with CBP KIX domain (2b3l conformation) | Descriptor: | CREB-binding protein, Forkhead box O3 | Authors: | Wang, F, Marshall, C.B, Yamamoto, K, Li, G.B, Gasmi-Seabrook, G.M.C, Okada, H, Mak, T.W, Ikura, M. | Deposit date: | 2012-03-06 | Release date: | 2012-05-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structures of KIX domain of CBP in complex with two FOXO3a transactivation domains reveal promiscuity and plasticity in coactivator recruitment. Proc.Natl.Acad.Sci.USA, 109, 2012
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1MO0
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![BU of 1mo0 by Molmil](/molmil-images/mine/1mo0) | Structural Genomics Of Caenorhabditis Elegans: Triose Phosphate Isomerase | Descriptor: | ACETATE ION, SULFATE ION, Triosephosphate isomerase | Authors: | Symersky, J, Li, S, Finley, J, Liu, Z.-J, Qui, H, Luan, C.H, Carson, M, Tsao, J, Johnson, D, Lin, G, Zhao, J, Thomas, W, Nagy, L.A, Sha, B, DeLucas, L.J, Wang, B.-C, Luo, M, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2002-09-06 | Release date: | 2002-09-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural genomics of Caenorhabditis elegans: triosephosphate isomerase Proteins, 51, 2003
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3ZFS
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![BU of 3zfs by Molmil](/molmil-images/mine/3zfs) | Cryo-EM structure of the F420-reducing NiFe-hydrogenase from a methanogenic archaeon with bound substrate | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, COENZYME F420, F420-REDUCING HYDROGENASE, ... | Authors: | Mills, D.J, Vitt, S, Strauss, M, Shima, S, Vonck, J. | Deposit date: | 2012-12-12 | Release date: | 2013-03-06 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | De Novo Modeling of the F420-Reducing [Nife]-Hydrogenase from a Methanogenic Archaeon by Cryo-Electron Microscopy Elife, 2, 2013
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2L29
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![BU of 2l29 by Molmil](/molmil-images/mine/2l29) | Complex structure of E4 mutant human IGF2R domain 11 bound to IGF-II | Descriptor: | Insulin-like growth factor 2 receptor variant, Insulin-like growth factor II | Authors: | Williams, C, Hoppe, H, Rezgui, D, Strickland, M, Frago, S, Ellis, R.Z, Wattana-Amorn, P, Prince, S.N, Zaccheo, O.J, Forbes, B, Jones, E.Y, Crump, M.P, Hassan, A.B. | Deposit date: | 2010-08-13 | Release date: | 2012-02-15 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | An exon splice enhancer primes IGF2:IGF2R binding site structure and function evolution. Science, 338, 2012
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3ZHC
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![BU of 3zhc by Molmil](/molmil-images/mine/3zhc) | Structure of the phytase from Citrobacter braakii at 2.3 angstrom resolution. | Descriptor: | CHLORIDE ION, FORMIC ACID, PHYTASE | Authors: | Wilson, K.S, Ariza, A, Sanchez-Romero, I, Skjot, M, Vind, J, DeMaria, L, Skov, L.K, Sanchez-Ruiz, J.M. | Deposit date: | 2012-12-20 | Release date: | 2013-08-28 | Last modified: | 2017-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mechanism of Protein Kinetic Stabilization by Engineered Disulfide Crosslinks Plos One, 8, 2013
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3ZVG
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![BU of 3zvg by Molmil](/molmil-images/mine/3zvg) | 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 98 | Descriptor: | 3C PROTEASE, N-(tert-butoxycarbonyl)-O-tert-butyl-L-threonyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide | Authors: | Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2011-07-24 | Release date: | 2012-08-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses. J.Virol., 87, 2013
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8AAA
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![BU of 8aaa by Molmil](/molmil-images/mine/8aaa) | Crystal structure of SARS-CoV-2 S RBD in complex with a stapled peptide | Descriptor: | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, Spike protein S1, Stapled peptide | Authors: | Brear, P, Chen, L, Gaynor, K, Harman, M, Dods, R, Hyvonen, M. | Deposit date: | 2022-06-30 | Release date: | 2023-06-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Multivalent bicyclic peptides are an effective antiviral modality that can potently inhibit SARS-CoV-2. Nat Commun, 14, 2023
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2L4E
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3X0E
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2LRV
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3X0G
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2LK0
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3X2N
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![BU of 3x2n by Molmil](/molmil-images/mine/3x2n) | Proton relay pathway in inverting cellulase | Descriptor: | Endoglucanase V-like protein, SULFATE ION | Authors: | Nakamura, A, Ishida, T, Fushinobu, S, Igarashi, K, Samejima, M. | Deposit date: | 2014-12-22 | Release date: | 2015-10-14 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography. Sci Adv, 1, 2015
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