5VXF
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6R3S
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![BU of 6r3s by Molmil](/molmil-images/mine/6r3s) | CRYSTAL STRUCTURE OF CDK8-CycC IN COMPLEX WITH COMPOUND 1 | Descriptor: | 1,2-ETHANEDIOL, 6-[5-chloranyl-4-[(1~{S})-1-oxidanylethyl]pyridin-3-yl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide, Cyclin-C, ... | Authors: | Boettcher, J. | Deposit date: | 2019-03-21 | Release date: | 2020-04-08 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance. Mol.Cancer Ther., 19, 2020
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5AAC
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![BU of 5aac by Molmil](/molmil-images/mine/5aac) | Structure of C1156Y Mutant Human Anaplastic Lymphoma Kinase in Complex with Crizotinib | Descriptor: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | Deposit date: | 2015-07-23 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F. N.Engl.J.Med., 374, 2016
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3VFN
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![BU of 3vfn by Molmil](/molmil-images/mine/3vfn) | crystal structure of HLA B*3508LPEP151A, HLA mutant Ala151 | Descriptor: | Beta-2-microglobulin, LPEP peptide from EBV, LPEPLPQGQLTAY, ... | Authors: | Liu, Y, Rossjohn, J, Gras, S. | Deposit date: | 2012-01-10 | Release date: | 2012-03-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Energetic Basis Underpinning T-cell Receptor Recognition of a Super-bulged Peptide Bound to a Major Histocompatibility Complex Class I Molecule. J.Biol.Chem., 287, 2012
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6XUN
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![BU of 6xun by Molmil](/molmil-images/mine/6xun) | Ab 5b1 bound to CA19-9 | Descriptor: | GLYCEROL, Heavy chain, Light chain, ... | Authors: | Diskin, R, Borenstein-Katz, A. | Deposit date: | 2020-01-20 | Release date: | 2021-02-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Biomolecular Recognition of the Glycan Neoantigen CA19-9 by Distinct Antibodies. J.Mol.Biol., 433, 2021
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6RC7
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![BU of 6rc7 by Molmil](/molmil-images/mine/6rc7) | NMR structure of cytotoxin 3 from Naja kaouthia in solution, major form | Descriptor: | Cytotoxin 3 | Authors: | Dubinnyi, M.A, Dubovskii, P.V, Utkin, Y.N, Arseniev, A.S. | Deposit date: | 2019-04-11 | Release date: | 2020-05-13 | Last modified: | 2021-05-26 | Method: | SOLUTION NMR | Cite: | The omega-loop of cobra cytotoxins tolerates multiple amino acid substitutions. Biochem.Biophys.Res.Commun., 558, 2021
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5VZ0
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![BU of 5vz0 by Molmil](/molmil-images/mine/5vz0) | Crystal structure of Lactococcus lactis pyruvate carboxylase G746A mutant in complex with cyclic-di-AMP | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Choi, P.H, Tong, L. | Deposit date: | 2017-05-26 | Release date: | 2017-08-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and functional studies of pyruvate carboxylase regulation by cyclic di-AMP in lactic acid bacteria. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4V15
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![BU of 4v15 by Molmil](/molmil-images/mine/4v15) | Crystal structure of D-threonine aldolase from Alcaligenes xylosoxidans | Descriptor: | D-THREONINE ALDOLASE, MANGANESE (II) ION, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Uhl, M.K, Oberdorfer, G, Steinkellner, G, Riegler, L, Schuermann, M, Gruber, K. | Deposit date: | 2014-09-24 | Release date: | 2015-03-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Crystal Structure of D-Threonine Aldolase from Alcaligenes Xylosoxidans Provides Insight Into a Metal Ion Assisted Plp-Dependent Mechanism. Plos One, 10, 2015
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1N19
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![BU of 1n19 by Molmil](/molmil-images/mine/1n19) | Structure of the HSOD A4V mutant | Descriptor: | COPPER (I) ION, SULFATE ION, Superoxide Dismutase [Cu-Zn], ... | Authors: | Cardoso, R.M.F, Thayer, M.M, DiDonato, M, Lo, T.P, Bruns, C.K, Getzoff, E.D, Tainer, J.A. | Deposit date: | 2002-10-16 | Release date: | 2002-11-27 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Insights into Lou Gehrig's disease from the structure and instability of the A4V mutant of human Cu,Zn superoxide dismutase. J.Mol.Biol., 324, 2002
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5A8B
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![BU of 5a8b by Molmil](/molmil-images/mine/5a8b) | Structure of a parallel dimer of the aureochrome 1a LOV domain from Phaeodactylum tricornutum | Descriptor: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | Authors: | Banerjee, A, Herman, E, Kottke, T, Essen, L.O. | Deposit date: | 2015-07-14 | Release date: | 2016-02-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.791 Å) | Cite: | Structure of a Native-Like Aureochrome 1A Lov Domain Dimer from Phaeodactylum Tricornutum. Structure, 24, 2016
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5W6V
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1W07
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![BU of 1w07 by Molmil](/molmil-images/mine/1w07) | Arabidopsis thaliana acyl-CoA oxidase 1 | Descriptor: | ACYL-COA OXIDASE, CALCIUM ION, CHLORIDE ION, ... | Authors: | Henriksen, A, Pedersen, L. | Deposit date: | 2004-06-01 | Release date: | 2004-12-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Acyl-Coa Oxidase 1 from Arabidopsis Thaliana. Structure of a Key Enzyme in Plant Lipid Metabolism J.Mol.Biol., 345, 2005
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4ZZ7
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![BU of 4zz7 by Molmil](/molmil-images/mine/4zz7) | Crystal structure of methylmalonate-semialdehyde dehydrogenase (DddC) from Oceanimonas doudoroffii | Descriptor: | Methylmalonate-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Do, H, Lee, C.W, Lee, S.G, Kang, H, Park, C.M, Kim, H.J, Park, H, Park, H, Lee, J.H. | Deposit date: | 2015-05-22 | Release date: | 2016-04-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure and modeling of the tetrahedral intermediate state of methylmalonate-semialdehyde dehydrogenase (MMSDH) from Oceanimonas doudoroffii. J. Microbiol., 54, 2016
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5W1X
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![BU of 5w1x by Molmil](/molmil-images/mine/5w1x) | Crystal Structure of Humanpapillomavirus18 (HPV18) Capsid L1 Pentamers Bound to Heparin Oligosaccharides | Descriptor: | 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose, 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose, 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose, ... | Authors: | Chen, X.S, Dasgupta, J. | Deposit date: | 2017-06-05 | Release date: | 2018-12-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.374 Å) | Cite: | Structural basis of oligosaccharide receptor recognition by human papillomavirus. J. Biol. Chem., 286, 2011
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1N3I
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![BU of 1n3i by Molmil](/molmil-images/mine/1n3i) | Crystal Structure of Mycobacterium tuberculosis PNP with transition state analog DADMe-ImmH | Descriptor: | 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, PHOSPHATE ION, Purine Nucleoside Phosphorylase | Authors: | Lewandowicz, A, Shi, W, Evans, G.B, Tyler, P.C, Furneaux, R.H, Basso, L.A, Santos, D.S, Almo, S.C, Schramm, V.L. | Deposit date: | 2002-10-28 | Release date: | 2003-09-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Over-The-Barrier Transition State Analogues Provide New Chemistries for Inhibitor Design: The Case of Purine Nucleoside Phosphorylase BIOCHEMISTRY, 42, 2003
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6X85
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![BU of 6x85 by Molmil](/molmil-images/mine/6x85) | Crystal Structure of TNFalpha with indolinone compound 9 | Descriptor: | 1-{[2-(difluoromethoxy)phenyl]methyl}-2,2-dimethyl-1,2-dihydro-3H-indol-3-one, Tumor necrosis factor | Authors: | Longenecker, K.L, Stoll, V.S. | Deposit date: | 2020-06-01 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design. J.Med.Chem., 64, 2021
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6RAF
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![BU of 6raf by Molmil](/molmil-images/mine/6raf) | Heterodimeric ABC exporter TmrAB in inward-facing narrow conformation under turnover conditions | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Anti-vesicular stomatitis virus N VHH, ... | Authors: | Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R. | Deposit date: | 2019-04-06 | Release date: | 2019-07-31 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Conformation space of a heterodimeric ABC exporter under turnover conditions. Nature, 571, 2019
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1VZH
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![BU of 1vzh by Molmil](/molmil-images/mine/1vzh) | Structure of superoxide reductase bound to ferrocyanide and active site expansion upon X-ray induced photoreduction | Descriptor: | CALCIUM ION, DESULFOFERRODOXIN, FE (III) ION, ... | Authors: | Adam, V, Royant, A, Niviere, V, Molina-Heredia, F.P, Bourgeois, D. | Deposit date: | 2004-05-19 | Release date: | 2004-08-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structure of superoxide reductase bound to ferrocyanide and active site expansion upon X-ray-induced photo-reduction. Structure, 12, 2004
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6X8F
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![BU of 6x8f by Molmil](/molmil-images/mine/6x8f) | Crystal structure of TYK2 with Compound 11 | Descriptor: | Non-receptor tyrosine-protein kinase TYK2, [3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile | Authors: | Vajdos, F.F, Knafels, J.D. | Deposit date: | 2020-06-01 | Release date: | 2020-11-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of Tyrosine Kinase 2 (TYK2) Inhibitor (PF-06826647) for the Treatment of Autoimmune Diseases. J.Med.Chem., 63, 2020
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4W61
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![BU of 4w61 by Molmil](/molmil-images/mine/4w61) | |
3VLZ
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![BU of 3vlz by Molmil](/molmil-images/mine/3vlz) | Assimilatory nitrite reductase (Nii3) - N226K mutant - SO3 full complex from tobacco leaf | Descriptor: | CHLORIDE ION, IRON/SULFUR CLUSTER, Nitrite reductase, ... | Authors: | Nakano, S, Takahashi, M, Sakamoto, A, Morikawa, H, Katayanagi, K. | Deposit date: | 2011-12-05 | Release date: | 2012-09-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | X-ray crystal structure of a mutant assimilatory nitrite reductase that shows sulfite reductase-like activity Chem.Biodivers., 9, 2012
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6RAP
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1N4F
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![BU of 1n4f by Molmil](/molmil-images/mine/1n4f) | Para-Arsanilate Derivative of Hen Egg-White Lysozyme | Descriptor: | 1,2-ETHANEDIOL, 4-AMINOPHENYLARSONIC ACID, Lysozyme C, ... | Authors: | Retailleau, P, Prange, T. | Deposit date: | 2002-10-31 | Release date: | 2003-05-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Phasing power at the K absorption edge of organic arsenic. Acta Crystallogr.,Sect.D, 59, 2003
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6RB2
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![BU of 6rb2 by Molmil](/molmil-images/mine/6rb2) | Structure of the (SR)Ca2+-ATPase mutant E340A in the Ca2-E1-CaAMPPCP form | Descriptor: | CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ... | Authors: | Clausen, J.D, Montigny, C, Lenoir, G, Arnou, B, Jaxel, C, Moller, J.V, Nissen, P, Andersen, J.P, Le Maire, M, Bublitz, M. | Deposit date: | 2019-04-09 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.20001125 Å) | Cite: | The SERCA residue Glu340 mediates interdomain communication that guides Ca 2+ transport. Proc.Natl.Acad.Sci.USA, 117, 2020
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4W70
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![BU of 4w70 by Molmil](/molmil-images/mine/4w70) | |