5MAK
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![BU of 5mak by Molmil](/molmil-images/mine/5mak) | GFP-binding DARPin fusion gc_R7 | Descriptor: | CITRIC ACID, Green fluorescent protein, R7 | Authors: | Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A. | Deposit date: | 2016-11-03 | Release date: | 2017-11-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity. Sci Rep, 7, 2017
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2IUN
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![BU of 2iun by Molmil](/molmil-images/mine/2iun) | Structure of the C-terminal head domain of the avian adenovirus CELO long fibre (P21 crystal form) | Descriptor: | AVIAN ADENOVIRUS CELO LONG FIBRE, CALCIUM ION | Authors: | Guardado-Calvo, P, Llamas-Saiz, A.L, Fox, G.C, van Raaij, M.J. | Deposit date: | 2006-06-06 | Release date: | 2007-06-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of the C-terminal head domain of the fowl adenovirus type 1 long fiber. J. Gen. Virol., 88, 2007
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1ZFG
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![BU of 1zfg by Molmil](/molmil-images/mine/1zfg) | CTC Duplex B-DNA | Descriptor: | 5'-D(*CP*CP*GP*AP*GP*CP*TP*CP*GP*G)-3' | Authors: | Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S. | Deposit date: | 2005-04-20 | Release date: | 2005-05-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | How sequence defines structure: a crystallographic map of DNA structure and conformation. Proc.Natl.Acad.Sci.Usa, 102, 2005
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1OUK
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![BU of 1ouk by Molmil](/molmil-images/mine/1ouk) | The structure of p38 alpha in complex with a pyridinylimidazole inhibitor | Descriptor: | 4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-1H-IMIDAZOL-2-YL]-PIPERIDINE, Mitogen-activated protein kinase 14, SULFATE ION | Authors: | Fitzgerald, C.E, Patel, S.B, Becker, J.W, Cameron, P.M, Zaller, D, Pikounis, V.B, O'Keefe, S.J, Scapin, G. | Deposit date: | 2003-03-24 | Release date: | 2003-09-02 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for p38alpha MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity Nat.Struct.Biol., 10, 2003
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1B0F
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![BU of 1b0f by Molmil](/molmil-images/mine/1b0f) | CRYSTAL STRUCTURE OF HUMAN NEUTROPHIL ELASTASE WITH MDL 101, 146 | Descriptor: | 1-{3-METHYL-2-[4-(MORPHOLINE-4-CARBONYL)-BENZOYLAMINO]-BUTYRYL}-PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4-PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)-AMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (ELASTASE) | Authors: | Schreuder, H.A, Metz, W.A, Peet, N.P, Pelton, J.T, Tardif, C. | Deposit date: | 1998-11-09 | Release date: | 1998-11-09 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Inhibition of human neutrophil elastase. 4. Design, synthesis, X-ray crystallographic analysis, and structure-activity relationships for a series of P2-modified, orally active peptidyl pentafluoroethyl ketones. J.Med.Chem., 41, 1998
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1B3K
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![BU of 1b3k by Molmil](/molmil-images/mine/1b3k) | Plasminogen activator inhibitor-1 | Descriptor: | PLASMINOGEN ACTIVATOR INHIBITOR-1 | Authors: | Sharp, A.M, Stein, P.E, Pannu, N.S, Read, R.J. | Deposit date: | 1998-12-11 | Release date: | 1999-12-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | The active conformation of plasminogen activator inhibitor 1, a target for drugs to control fibrinolysis and cell adhesion. Structure Fold.Des., 7, 1999
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2VNY
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![BU of 2vny by Molmil](/molmil-images/mine/2vny) | Structure of PKA-PKB chimera complexed with (1-(9H-Purin-6-yl) piperidin-4-yl)amine | Descriptor: | 1-(9H-purin-6-yl)piperidin-4-amine, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | Authors: | Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I. | Deposit date: | 2008-02-08 | Release date: | 2008-04-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration. J.Med.Chem., 51, 2008
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1ZHG
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![BU of 1zhg by Molmil](/molmil-images/mine/1zhg) | Crystal structure of Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Plasmodium falciparum | Descriptor: | beta hydroxyacyl-acyl carrier protein dehydratase | Authors: | Swarnamukhi, P.L, Sharma, S.K, Surolia, N, Surolia, A, Suguna, K. | Deposit date: | 2005-04-25 | Release date: | 2006-05-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of dimeric FabZ of Plasmodium falciparum reveals conformational switching to active hexamers by peptide flips Febs Lett., 580, 2006
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2VR4
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![BU of 2vr4 by Molmil](/molmil-images/mine/2vr4) | Transition-state mimicry in mannoside hydrolysis: characterisation of twenty six inhibitors and insight into binding from linear free energy relationships and 3-D structure | Descriptor: | (2Z,3R,4S,5R,6R)-2-[(4-aminobutyl)imino]-6-(hydroxymethyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, BETA-MANNOSIDASE, ... | Authors: | Tailford, L.E, Offen, W.A, Smith, N.L, Dumon, C, Moreland, C, Gratien, J, Heck, M.P, Stick, R.V, Bleriot, Y, Vasella, A, Gilbert, H.J, Davies, G.J. | Deposit date: | 2008-03-25 | Release date: | 2008-04-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases. Nat.Chem.Biol., 4, 2008
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1IBX
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![BU of 1ibx by Molmil](/molmil-images/mine/1ibx) | NMR STRUCTURE OF DFF40 AND DFF45 N-TERMINAL DOMAIN COMPLEX | Descriptor: | CHIMERA OF IGG BINDING PROTEIN G AND DNA FRAGMENTATION FACTOR 45, DNA FRAGMENTATION FACTOR 40 | Authors: | Zhou, P, Lugovskoy, A.A, McCarty, J.S, Li, P, Wagner, G. | Deposit date: | 2001-03-29 | Release date: | 2001-05-02 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of DFF40 and DFF45 N-terminal domain complex and mutual chaperone activity of DFF40 and DFF45. Proc.Natl.Acad.Sci.USA, 98, 2001
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2I06
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![BU of 2i06 by Molmil](/molmil-images/mine/2i06) | Escherichia Coli Replication Terminator Protein (Tus) Complexed With DNA- Locked form | Descriptor: | 5'-D(*T*TP*AP*GP*TP*TP*AP*CP*AP*AP*CP*AP*TP*AP*CP*T)-3', 5'-D(*TP*G*AP*TP*AP*TP*GP*TP*TP*GP*TP*AP*AP*CP*TP*A)-3', DNA replication terminus site-binding protein, ... | Authors: | Oakley, A.J, Mulcair, M.D, Schaeffer, P.M, Dixon, N.E. | Deposit date: | 2006-08-10 | Release date: | 2007-08-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Polarity of Termination of DNA Replication in E. coli. To be Published
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2W7D
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![BU of 2w7d by Molmil](/molmil-images/mine/2w7d) | Crystal structure of Y51FbsSHMT internal aldimine | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Rajaram, V, Bhavani, B.S, Bisht, S, Kaul, P, Prakash, V, Appaji Rao, N, Savithri, H.S, Murthy, M.R.N. | Deposit date: | 2008-12-22 | Release date: | 2010-08-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Importance of Tyrosine Residues of Bacillus Stearothermophilus Serine Hydroxymethyltransferase in Cofactor Binding and L-Allo-Thr Cleavage. FEBS J., 275, 2008
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1U2W
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![BU of 1u2w by Molmil](/molmil-images/mine/1u2w) | Crystal Structure of the Staphylococcus aureus pI258 CadC | Descriptor: | Cadmium efflux system accessory protein, ZINC ION | Authors: | Ye, J, Kandegedara, A, Martin, P, Rosen, B.P. | Deposit date: | 2004-07-20 | Release date: | 2005-07-12 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the Staphylococcus aureus pI258 CadC Cd(II)/Pb(II)/Zn(II)-responsive repressor J.Bacteriol., 187, 2005
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2XN8
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![BU of 2xn8 by Molmil](/molmil-images/mine/2xn8) | X-RAY STRUCTURE OF THE SUBSTRATE-FREE MYCOBACTERIUM TUBERCULOSIS CYTOCHROME P450 CYP125 | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 125, SULFATE ION | Authors: | Ouellet, H, Kells, P.M, Ortiz de Montellano, P.R, Podust, L.M. | Deposit date: | 2010-07-30 | Release date: | 2010-11-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Reverse Type I Inhibitor of Mycobacteriumtuberculosis Cyp125A1. Bioorg.Med.Chem.Lett., 21, 2011
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2WDA
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![BU of 2wda by Molmil](/molmil-images/mine/2wda) | The X-ray structure of the Streptomyces coelicolor A3 Chondroitin AC Lyase in Complex with Chondroitin sulphate | Descriptor: | 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | Authors: | Elmabrouk, Z.H, Taylor, E.J, Vincent, F, Smith, N.L, Turkenburg, J.P, Davies, G.J, Black, G.W. | Deposit date: | 2009-03-23 | Release date: | 2010-04-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structures of a Family 8 Polysaccharide Lyase Reveal Open and Highly Occluded Substrate-Binding Cleft Conformations. Proteins, 79, 2011
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1F8S
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![BU of 1f8s by Molmil](/molmil-images/mine/1f8s) | CRYSTAL STRUCTURE OF L-AMINO ACID OXIDASE FROM CALLOSELASMA RHODOSTOMA, COMPLEXED WITH THREE MOLECULES OF O-AMINOBENZOATE. | Descriptor: | 2-AMINOBENZOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Pawelek, P.D, Cheah, J, Coulombe, R, Macheroux, P, Ghisla, S, Vrielink, A. | Deposit date: | 2000-07-04 | Release date: | 2000-08-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structure of L-amino acid oxidase reveals the substrate trajectory into an enantiomerically conserved active site. EMBO J., 19, 2000
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2VXA
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![BU of 2vxa by Molmil](/molmil-images/mine/2vxa) | H. halophila dodecin in complex with riboflavin | Descriptor: | CHLORIDE ION, DODECIN, RIBOFLAVIN | Authors: | Grininger, M, Staudt, H, Johansson, P, Wachtveitl, J, Oesterhelt, D. | Deposit date: | 2008-07-01 | Release date: | 2009-02-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Dodecin is the Key Player in Flavin Homeostasis of Archaea. J.Biol.Chem., 284, 2009
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7F8P
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![BU of 7f8p by Molmil](/molmil-images/mine/7f8p) | Crystal structure of the Mycobacterium tuberculosis L,D-transpeptidase-2 (LdtMt2) with new carbapenem drug T203 | Descriptor: | (2R,3R)-3-methyl-4-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-2-[(2R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1H-pyrrole-5-carboxylic acid, (4R,5S,6S)-6-((R)-1-hydroxyethyl)-3-((2-isopropoxy-2-oxoethyl)thio)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, GLUTAMIC ACID, ... | Authors: | Kumar, P, Lamichhane, G. | Deposit date: | 2021-07-02 | Release date: | 2022-05-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Allosteric cooperation in beta-lactam binding to a non-classical transpeptidase. Elife, 11, 2022
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2BRR
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![BU of 2brr by Molmil](/molmil-images/mine/2brr) | Complex of the neisserial PorA P1.4 epitope peptide and two Fab- fragments (antibody MN20B9.34) | Descriptor: | ACETIC ACID, CLASS 1 OUTER MEMBRANE PROTEIN VARIABLE REGION 2, MN20B9.34 ANTI-P1.4 ANTIBODY, ... | Authors: | Oomen, C.J, Hoogerhout, P, Kuipers, B, Vidarsson, G, Van Alphen, L, Gros, P. | Deposit date: | 2005-05-11 | Release date: | 2005-07-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of an Anti-Meningococcal Subtype P1.4 Pora Antibody Provides Basis for Peptide- Vaccine Design. J.Mol.Biol., 351, 2005
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7F71
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![BU of 7f71 by Molmil](/molmil-images/mine/7f71) | Crystal structure of the Mycobacterium tuberculosis L,D-transpeptidase-2 (LdtMt2) with peptidoglycan sugar moiety and glutamate | Descriptor: | GLUTAMIC ACID, GLYCEROL, L,D-transpeptidase 2, ... | Authors: | Kumar, P, Lamichhane, G. | Deposit date: | 2021-06-26 | Release date: | 2022-05-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Allosteric cooperation in beta-lactam binding to a non-classical transpeptidase. Elife, 11, 2022
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1P4G
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![BU of 1p4g by Molmil](/molmil-images/mine/1p4g) | Crystal structure of glycogen phosphorylase b in complex with C-(1-azido-alpha-D-glucopyranosyl)formamide | Descriptor: | C-(1-AZIDO-ALPHA-D-GLUCOPYRANOSYL) FORMAMIDE, Glycogen phosphorylase, muscle form, ... | Authors: | Chrysina, E.D, Oikonomakos, N.G, Zographos, S.E, Kosmopoulou, M.N, Bischler, N, Leonidas, D.D, Nagy, V, Somsak, L, Gergely, P, Praly, J.-P. | Deposit date: | 2003-04-23 | Release date: | 2004-05-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crsytallographic Studies on alpha- and beta-D-glucopyranosyl Formamide Analogues, Inhibitors of Glycogen Phosphorylase Biocatal.Biotransfor., 21, 2003
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1B3A
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![BU of 1b3a by Molmil](/molmil-images/mine/1b3a) | TOTAL CHEMICAL SYNTHESIS AND HIGH-RESOLUTION CRYSTAL STRUCTURE OF THE POTENT ANTI-HIV PROTEIN AOP-RANTES | Descriptor: | PENTYLOXYAMINO-ACETALDEHYDE, PROTEIN (RANTES), SULFATE ION | Authors: | Wilken, J, Hoover, D, Thompson, D.A, Barlow, P.N, Mcsparron, H, Picard, L, Wlodawer, A, Lubkowski, J, Kent, S.B.H. | Deposit date: | 1998-12-07 | Release date: | 1999-04-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Total chemical synthesis and high-resolution crystal structure of the potent anti-HIV protein AOP-RANTES. Chem.Biol., 6, 1999
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8G1W
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![BU of 8g1w by Molmil](/molmil-images/mine/8g1w) | Crystal Structure Matriptase (C731S) in Complex with Inhibitor VD4162B | Descriptor: | CHLORIDE ION, Cyclic peptide inhibitor (ACE)Y(DTR)(NLE)(KCM), Cyclic peptide inhibitor (ACE)Y(DTR)(NLE)(THZ), ... | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Janetka, J.W. | Deposit date: | 2023-02-03 | Release date: | 2024-02-07 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Mechanism-Based Macrocyclic Inhibitors of Serine Proteases. J.Med.Chem., 67, 2024
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1B5L
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![BU of 1b5l by Molmil](/molmil-images/mine/1b5l) | OVINE INTERFERON TAU | Descriptor: | INTERFERON TAU, SULFATE ION | Authors: | Radhakrishnan, R, Walter, L.J, Subramaniam, P.S, Johnson, H.J, Walter, M.R. | Deposit date: | 1999-01-07 | Release date: | 1999-05-18 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of ovine interferon-tau at 2.1 A resolution. J.Mol.Biol., 286, 1999
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1B3U
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![BU of 1b3u by Molmil](/molmil-images/mine/1b3u) | CRYSTAL STRUCTURE OF CONSTANT REGULATORY DOMAIN OF HUMAN PP2A, PR65ALPHA | Descriptor: | PROTEIN (PROTEIN PHOSPHATASE PP2A) | Authors: | Groves, M.R, Hanlon, N, Turowski, P, Hemmings, B, Barford, D. | Deposit date: | 1998-12-14 | Release date: | 1999-04-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The structure of the protein phosphatase 2A PR65/A subunit reveals the conformation of its 15 tandemly repeated HEAT motifs. Cell(Cambridge,Mass.), 96, 1999
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