2OGZ
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![BU of 2ogz by Molmil](/molmil-images/mine/2ogz) | Crystal structure of DPP-IV complexed with Lilly aryl ketone inhibitor | Descriptor: | 4-[(3R)-3-{[2-(4-FLUOROPHENYL)-2-OXOETHYL]AMINO}BUTYL]BENZAMIDE, Dipeptidyl peptidase | Authors: | Timm, D.E. | Deposit date: | 2007-01-09 | Release date: | 2007-03-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of non-covalent dipeptidyl peptidase IV inhibitors which induce a conformational change in the active site. Bioorg.Med.Chem.Lett., 17, 2007
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6VPT
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4WRP
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![BU of 4wrp by Molmil](/molmil-images/mine/4wrp) | The C-terminal domain of gene product lpg0944 from Legionella pneumophila subsp. pneumophila str. Philadelphia 1 | Descriptor: | Uncharacterized protein | Authors: | Cuff, M.E, Evdokimova, E, Egorova, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-10-24 | Release date: | 2015-03-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The C-terminal domain of gene product lpg0944 from Legionella pneumophila subsp. pneumophila str. Philadelphia 1. To Be Published
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6QFI
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![BU of 6qfi by Molmil](/molmil-images/mine/6qfi) | Structure of human Mcl-1 in complex with BIM BH3 peptide | Descriptor: | Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | Deposit date: | 2019-01-10 | Release date: | 2019-06-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
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2WU1
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2BE0
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![BU of 2be0 by Molmil](/molmil-images/mine/2be0) | Complex Between Paromomycin Derivative JS5-39 and the 16S-Rrna A-Site. | Descriptor: | (2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3R,4R,5S)-5-((1R,2R,3S,5R,6S)-3,5-DIAMINO-2-((2S,3R,4R,5S,6R)-3-AMINO-4 ,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-2-(HYDROXYMETHYL)-4-(2-((R)-PIPERIDI N-3-YLMETHYLAMINO)ETHOXY)-TETRAHYDROFURAN-3-YLOXY)-TETRAHYDRO-2H-PYRAN-3,4-DIOL, 5'-R(*CP*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*C)-3' | Authors: | Francois, B, Westhof, E. | Deposit date: | 2005-10-21 | Release date: | 2005-12-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Antibacterial aminoglycosides with a modified mode of binding to the ribosomal-RNA decoding site ANGEW.CHEM.INT.ED.ENGL., 43, 2004
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5ARF
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![BU of 5arf by Molmil](/molmil-images/mine/5arf) | SMYD2 in complex with small molecule inhibitor compound-2 | Descriptor: | N-LYSINE METHYLTRANSFERASE SMYD2, N-[3-(4-CHLOROPHENYL)-1-{N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL}-4,5-DIHYDRO-1H- PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE, S-ADENOSYLMETHIONINE, ... | Authors: | Hillig, R.C, Badock, V, Barak, N, Stellfeld, T, Eggert, E, ter Laak, A, Weiske, J, Christ, C.D, Koehr, S, Stoeckigt, D, Mowat, J, Mueller, T, Fernandez-Montalvan, A.E, Hartung, I.V, Stresemann, C, Brumby, T, Weinmann, H. | Deposit date: | 2015-09-24 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2. J.Med.Chem., 59, 2016
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3IWB
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![BU of 3iwb by Molmil](/molmil-images/mine/3iwb) | T. maritima AdoMetDC in processed form | Descriptor: | S-adenosylmethionine decarboxylase | Authors: | Bale, S, Kavita, B, Ealick, S.E. | Deposit date: | 2009-09-02 | Release date: | 2010-02-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Complexes of Thermotoga maritimaS-adenosylmethionine decarboxylase provide insights into substrate specificity. Acta Crystallogr.,Sect.D, 66, 2010
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8YQ4
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![BU of 8yq4 by Molmil](/molmil-images/mine/8yq4) | Structure of mBaoJin2 | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | Authors: | Boyko, K.M, Nikolaeva, A.Y, Minyaev, M.E, Kuzmicheva, T.P, Vlaskina, A.V, Popov, V.O, Pyatkevich, K.D, Subach, F.V. | Deposit date: | 2024-03-19 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of mBaoJin2 To Be Published
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6KBB
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![BU of 6kbb by Molmil](/molmil-images/mine/6kbb) | Role of the DEF/Y motif of Swc5 in histone H2A.Z deposition | Descriptor: | Histone H2A type 1-D, Histone H2B type 2-E, SWR1-complex protein 5 | Authors: | Huang, Y, Zhou, Z. | Deposit date: | 2019-06-24 | Release date: | 2020-01-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.365 Å) | Cite: | Role of a DEF/Y motif in histone H2A-H2B recognition and nucleosome editing. Proc.Natl.Acad.Sci.USA, 117, 2020
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6VMG
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![BU of 6vmg by Molmil](/molmil-images/mine/6vmg) | Chloroplast ATP synthase (O3, CF1FO) | Descriptor: | ATP synthase delta chain, chloroplastic, ATP synthase epsilon chain, ... | Authors: | Yang, J.-H, Williams, D, Kandiah, E, Fromme, P, Chiu, P.-L. | Deposit date: | 2020-01-27 | Release date: | 2020-09-09 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (6.46 Å) | Cite: | Structural basis of redox modulation on chloroplast ATP synthase. Commun Biol, 3, 2020
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5BXL
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![BU of 5bxl by Molmil](/molmil-images/mine/5bxl) | Yeast 20S proteasome beta2-G170A mutant | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2015-06-09 | Release date: | 2016-06-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Defective immuno- and thymoproteasome assembly causes severe immunodeficiency. Sci Rep, 8, 2018
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5FHV
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![BU of 5fhv by Molmil](/molmil-images/mine/5fhv) | Crystal structure of mCherry after reaction with 2-mercaptoethanol | Descriptor: | BETA-MERCAPTOETHANOL, HEXAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, ... | Authors: | De Zitter, E, Dedecker, P, Van Meervelt, L. | Deposit date: | 2015-12-22 | Release date: | 2017-01-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Efficient switching of mCherry fluorescence using chemical caging. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5VK2
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![BU of 5vk2 by Molmil](/molmil-images/mine/5vk2) | Structural basis for antibody-mediated neutralization of Lassa virus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hastie, K.M, Zandonatti, M.A, Kleinfelter, L.M, Rowland, M.L, Rowland, M.M, Chandra, K, Branco, L.M, Robinson, J.E, Garry, R.F, Saphire, E.O. | Deposit date: | 2017-04-20 | Release date: | 2017-05-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.201 Å) | Cite: | Structural basis for antibody-mediated neutralization of Lassa virus. Science, 356, 2017
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3V51
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8E04
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![BU of 8e04 by Molmil](/molmil-images/mine/8e04) | Structure of monomeric LRRK1 | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 1 | Authors: | Reimer, J.M, Mathea, S, Chatterjee, D, Knapp, S, Leschziner, A.E. | Deposit date: | 2022-08-08 | Release date: | 2023-08-30 | Last modified: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure of LRRK1 and mechanisms of autoinhibition and activation. Nat.Struct.Mol.Biol., 30, 2023
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3V5P
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3P6Z
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![BU of 3p6z by Molmil](/molmil-images/mine/3p6z) | Structural basis of thrombin mediated factor V activation: essential role of the hirudin-like sequence Glu666-Glu672 for processing at the heavy chain-B domain junction | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Corral-Rodriguez, M.A, Bock, P.E, Hernandez-Carvajal, E, Gutierrez-Gallego, R, Fuentes-Prior, P. | Deposit date: | 2010-10-11 | Release date: | 2011-06-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis of thrombin-mediated factor V activation: the Glu666-Glu672 sequence is critical for processing at the heavy chain-B domain junction. Blood, 117, 2011
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5C0X
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5J6T
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5J6W
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5J6V
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9AXC
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![BU of 9axc by Molmil](/molmil-images/mine/9axc) | Activated CRAF/MEK heterotetramer from focused refinement of CRAF/MEK/14-3-3 complex | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 1, GST26/CRAF chimera, N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide | Authors: | Quade, B, Cohen, S.E, Huang, X. | Deposit date: | 2024-03-06 | Release date: | 2024-04-17 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4.16 Å) | Cite: | The Pan-RAF-MEK Nondegrading Molecular Glue NST-628 Is a Potent and Brain-Penetrant Inhibitor of the RAS-MAPK Pathway with Activity across Diverse RAS- and RAF-Driven Cancers. Cancer Discov, 14, 2024
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4QR9
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![BU of 4qr9 by Molmil](/molmil-images/mine/4qr9) | Crystal structure of two HMGB1 Box A domains cooperating to underwind and kink a DNA | Descriptor: | DNA (5'-D(*AP*TP*AP*TP*CP*GP*AP*TP*AP*T)-3'), High mobility group protein B1, MAGNESIUM ION | Authors: | Sanchez-Giraldo, R, Acosta-Reyes, F.J, Malarkey, C.S, Saperas, N, Churchill, M.E.A, Campos, J.L. | Deposit date: | 2014-06-30 | Release date: | 2015-07-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Two high-mobility group box domains act together to underwind and kink DNA. Acta Crystallogr.,Sect.D, 71, 2015
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6WU0
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