8V52
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4YCK
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4Y8D
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![BU of 4y8d by Molmil](/molmil-images/mine/4y8d) | Crystal structure of Cyclin-G associated kinase (GAK) complexed with selective 12i inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-methoxy-4-[3-(morpholin-4-yl)[1,2]thiazolo[4,3-b]pyridin-6-yl]aniline, Cyclin-G-associated kinase, ... | Authors: | Chaikuad, A, Heroven, C, Nowak, R, De Jonghe, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-02-16 | Release date: | 2015-04-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Selective Inhibitors of Cyclin G Associated Kinase (GAK) as Anti-Hepatitis C Agents. J.Med.Chem., 58, 2015
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4YD4
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6RPV
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![BU of 6rpv by Molmil](/molmil-images/mine/6rpv) | Extremely stable monomeric variant of human cystatin C with single amino acid substitution | Descriptor: | Cystatin-C | Authors: | Zhukov, I, Rodziewicz-Motowidlo, S, Maszota-Zieleniak, M, Jurczak, P, Kozak, M. | Deposit date: | 2019-05-14 | Release date: | 2019-07-31 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR, SOLUTION SCATTERING | Cite: | NMR and crystallographic structural studies of the extremely stable monomeric variant of human cystatin C with single amino acid substitution. Febs J., 287, 2020
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3MLM
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![BU of 3mlm by Molmil](/molmil-images/mine/3mlm) | Crystal structure of Bn IV in complex with myristic acid: A Lys49 myotoxic phospholipase A2 from Bothrops neuwiedi venom | Descriptor: | BN-IV Lys-49 Phospholipase A2, MYRISTIC ACID, SULFATE ION | Authors: | Delatorre, P, Rocha, B.A.M, Cavada, B.S, Toyama, M.H, Toyama, D, Gadelha, C.A.A. | Deposit date: | 2010-04-17 | Release date: | 2011-05-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Crystal structure of Bn IV in complex with myristic acid: a Lys49 myotoxic phospholipase A2 from Bothrops neuwiedi venom. Biochimie, 93, 2011
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6RVA
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![BU of 6rva by Molmil](/molmil-images/mine/6rva) | STRUCTURE OF [ASP58]-IGF-I ANALOGUE | Descriptor: | Insulin-like growth factor I | Authors: | Jiracek, J, Zakova, L, Socha, O. | Deposit date: | 2019-05-31 | Release date: | 2019-10-02 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Mutations at hypothetical binding site 2 in insulin and insulin-like growth factors 1 and 2 result in receptor- and hormone-specific responses. J.Biol.Chem., 294, 2019
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3MN7
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![BU of 3mn7 by Molmil](/molmil-images/mine/3mn7) | Structures of actin-bound WH2 domains of Spire and the implication for filament nucleation | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin-5C, CALCIUM ION, ... | Authors: | Ducka, A.M, Sitar, T, Popowicz, G.M, Huber, R, Holak, T.A. | Deposit date: | 2010-04-21 | Release date: | 2010-05-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of actin-bound Wiskott-Aldrich syndrome protein homology 2 (WH2) domains of Spire and the implication for filament nucleation. Proc.Natl.Acad.Sci.USA, 107, 2010
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3MND
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3M97
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![BU of 3m97 by Molmil](/molmil-images/mine/3m97) | Structure of the soluble domain of cytochrome c552 with its flexible linker segment from Paracoccus denitrificans | Descriptor: | Cytochrome c-552, HEME C, ZINC ION | Authors: | Rajendran, C, Ermler, U, Ludwig, B, Michel, H. | Deposit date: | 2010-03-20 | Release date: | 2010-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.332 Å) | Cite: | Structure at 1.5 A resolution of cytochrome c(552) with its flexible linker segment, a membrane-anchored protein from Paracoccus denitrificans. Acta Crystallogr.,Sect.D, 66, 2010
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6RSA
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6S8Y
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![BU of 6s8y by Molmil](/molmil-images/mine/6s8y) | Crystal structure of cytochrome c in complex with a sulfonated quinoline-derived foldamer | Descriptor: | 8-acetamido-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-carboxy-4-sulfonato-quinolin-8-yl)carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]quinoline-4-sulfonate, ACETATE ION, Cytochrome c iso-1, ... | Authors: | Alex, J.M, Corvaglia, V, Hu, X, Engilberge, S, Huc, I, Crowley, P.B. | Deposit date: | 2019-07-10 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystal structure of a protein-aromatic foldamer composite: macromolecular chiral resolution. Chem.Commun.(Camb.), 55, 2019
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3MSJ
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![BU of 3msj by Molmil](/molmil-images/mine/3msj) | Structure of bace (beta secretase) in complex with inhibitor | Descriptor: | 3-(2-amino-5-chloro-1H-benzimidazol-1-yl)propan-1-ol, BETA-SECRETASE 1, GLYCEROL | Authors: | Madden, J, Kramer, J, Smith, M.A, Barker, J, Godemann, R. | Deposit date: | 2010-04-29 | Release date: | 2010-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fragment-based discovery and optimization of BACE1 inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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8XN7
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![BU of 8xn7 by Molmil](/molmil-images/mine/8xn7) | Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with compound 9f | Descriptor: | 5-amino-2-((6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino)-8-(2-(trifluoromethyl)benzyl)pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase kinase kinase kinase 1 | Authors: | Huang, W.X, Liu, R, Ding, K. | Deposit date: | 2023-12-29 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery of 5-aminopyrido[2,3-d]pyrimidin-7(8H)-one derivatives as new hematopoietic progenitor kinase 1 (HPK1) inhibitors. Eur.J.Med.Chem., 269, 2024
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6SDY
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4YOB
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![BU of 4yob by Molmil](/molmil-images/mine/4yob) | Crystal Structure of Apo HIV-1 Protease MDR769 L33F | Descriptor: | HIV-1 Protease | Authors: | Kuiper, B.D, Keusch, B, Dewdney, T.G, Chordia, P, Ross, K, Brunzelle, J.S, Kovari, I.A, MacArthur, R, Salimnia, H, Kovari, L.C. | Deposit date: | 2015-03-11 | Release date: | 2015-07-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.504 Å) | Cite: | The L33F darunavir resistance mutation acts as a molecular anchor reducing the flexibility of the HIV-1 protease 30s and 80s loops. Biochem Biophys Rep, 2, 2015
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3M3U
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6SET
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![BU of 6set by Molmil](/molmil-images/mine/6set) | X-ray structure of the gold/lysozyme adduct formed upon 3 days exposure of protein crystals to compound 1 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Ferraro, G, Giorgio, A, Merlino, A. | Deposit date: | 2019-07-30 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Protein-mediated disproportionation of Au(i): insights from the structures of adducts of Au(iii) compounds bearing N,N-pyridylbenzimidazole derivatives with lysozyme. Dalton Trans, 48, 2019
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6SF3
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8WM0
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![BU of 8wm0 by Molmil](/molmil-images/mine/8wm0) | Crystal structure of TNIK-thiopeptide wTP3 complex | Descriptor: | ADENOSINE, THIOPEPTIDE wTP3, TRAF2 and NCK-interacting protein kinase | Authors: | Hamada, K, Kobayashi, S, Vinogradov, A.A, Zhang, Y, Goto, Y, Suga, H, Ogata, K, Sengoku, T. | Deposit date: | 2023-10-01 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A Compact Reprogrammed Genetic Code for De Novo Discovery of Proteolytically Stable Thiopeptides. J.Am.Chem.Soc., 2024
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6SHR
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![BU of 6shr by Molmil](/molmil-images/mine/6shr) | X-RAY CRYSTAL STRUCTURE OF CELL-FREE PROTEIN SYNTHESIS (CFPS) PRODUCED SDF1-A | Descriptor: | Stromal cell-derived factor 1 | Authors: | Jugnarain, V.M, Mitchell, E, Forsyth, T, Michael, H, Cortes, S, Tillier, B. | Deposit date: | 2019-08-08 | Release date: | 2020-08-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.745 Å) | Cite: | X-RAY CRYSTAL STRUCTURE OF CELL-FREE PROTEIN SYNTHESIS (CFPS) PRODUCED SDF1-A To Be Published
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4YRU
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![BU of 4yru by Molmil](/molmil-images/mine/4yru) | Crystal structure of C-terminally truncated Neuronal Calcium Sensor (NCS-1) from Rattus norvegicus | Descriptor: | CALCIUM ION, Neuronal calcium sensor 1 | Authors: | Pandalaneni, S, Karrupiah, V, Mayans, O, Derrick, J.P, Lian, L.Y. | Deposit date: | 2015-03-15 | Release date: | 2015-04-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Neuronal Calcium Sensor-1 Binds the D2 Dopamine Receptor and G-protein-coupled Receptor Kinase 1 (GRK1) Peptides Using Different Modes of Interactions. J.Biol.Chem., 290, 2015
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4YU7
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![BU of 4yu7 by Molmil](/molmil-images/mine/4yu7) | Crystal structure of Piratoxin I (PrTX-I) complexed to caffeic acid | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Basic phospholipase A2 homolog piratoxin-1, CAFFEIC ACID, ... | Authors: | Fernandes, C.A.H, Fontes, M.R.M. | Deposit date: | 2015-03-18 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.647 Å) | Cite: | Structural Basis for the Inhibition of a Phospholipase A2-Like Toxin by Caffeic and Aristolochic Acids. Plos One, 10, 2015
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3MF4
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![BU of 3mf4 by Molmil](/molmil-images/mine/3mf4) | Crystal structure of putative two-component system response regulator/ggdef domain protein | Descriptor: | MAGNESIUM ION, Two-component system response regulator/GGDEF domain protein | Authors: | Malashkevich, V.N, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2010-04-01 | Release date: | 2010-04-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of putative two-component system response regulator/ggdef domain protein To be Published
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6SFI
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![BU of 6sfi by Molmil](/molmil-images/mine/6sfi) | Crystal structure of p38 alpha in complex with compound 75 (MCP33) | Descriptor: | Mitogen-activated protein kinase 14, ~{N}-[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]-2-[[[1-(2-methylphenyl)pyrazol-4-yl]carbonylamino]methyl]-1,3-thiazole-5-carboxamide | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-08-01 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Fast Iterative Synthetic Approach toward Identification of Novel Highly Selective p38 MAP Kinase Inhibitors. J.Med.Chem., 62, 2019
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