PDB: 36939 resultsInfo pagesStatus searchChemie searchBIRD

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6E8I	Legionella Longbeachae LeSH (Llo2327) bound to phosphotyrosine Descriptor: LeSH (Llo2327), O-PHOSPHOTYROSINE Authors: Kaneko, T, Li, S.S.C. Deposit date: 2018-07-29 Release date: 2018-11-14 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.68 Å) Cite: Identification and characterization of a large family of superbinding bacterial SH2 domains. Nat Commun, 9, 2018
4EPX	Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... Authors: Sun, Q, Burke, J.P, Phan, J, Burns, M.C, Olejniczak, E.T, Waterson, A.G, Lee, T, Rossanese, O.W, Fesik, S.W. Deposit date: 2012-04-17 Release date: 2012-05-23 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.76 Å) Cite: Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation. Angew.Chem.Int.Ed.Engl., 51, 2012
6ES3	Structure of CDX2-DNA(TCG) Descriptor: DNA (5'-D(P*GP*GP*AP*GP*GP*TP*CP*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*CP*GP*AP*CP*CP*TP*CP*C)-3'), Homeobox protein CDX-2 Authors: Morgunova, E, Yin, Y, Jolma, A, Popov, A, Taipale, J. Deposit date: 2017-10-19 Release date: 2018-03-21 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.57 Å) Cite: Two distinct DNA sequences recognized by transcription factors represent enthalpy and entropy optima. Elife, 7, 2018
4ER1	THE ACTIVE SITE OF ASPARTIC PROTEINASES Descriptor: ENDOTHIAPEPSIN, N-[(1R,2R,4R)-1-(cyclohexylmethyl)-2-hydroxy-6-methyl-4-{[(2R)-2-methylbutyl]carbamoyl}heptyl]-3-(1H-imidazol-3-ium-4-yl)-N~2~-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]-L-alaninamide Authors: Quail, J.W, Cooper, J.B, Szelke, M, Blundell, T.L. Deposit date: 1990-10-14 Release date: 1991-01-15 Last modified: 2017-11-29 Method: X-RAY DIFFRACTION (2 Å) Cite: The active site of aspartic proteinases FEBS Lett., 174, 1984
4ETE	Lysozyme, room-temperature, rotating anode, 0.0021 MGy Descriptor: CHLORIDE ION, Lysozyme C Authors: Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. Deposit date: 2012-04-24 Release date: 2012-06-13 Last modified: 2017-11-15 Method: X-RAY DIFFRACTION (1.905 Å) Cite: High-resolution protein structure determination by serial femtosecond crystallography. Science, 337, 2012
3PCZ	Endothiapepsin in complex with benzamidine Descriptor: BENZAMIDINE, DIMETHYL SULFOXIDE, Endothiapepsin Authors: Koester, H, Heine, A, Klebe, G. Deposit date: 2010-10-22 Release date: 2011-10-19 Last modified: 2021-08-04 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Experimental and computational active site mapping as a starting point to fragment-based lead discovery. Chemmedchem, 7, 2012
4EZP	Crystal structure of the substrate binding domain of E.coli DnaK in complex with A3-APO(residues 1 to 20) Descriptor: APO-monomer, Chaperone protein DnaK, SULFATE ION Authors: Zahn, M, Straeter, N. Deposit date: 2012-05-03 Release date: 2013-04-17 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Structural Studies on the Forward and Reverse Binding Modes of Peptides to the Chaperone DnaK. J.Mol.Biol., 425, 2013
4F01	Crystal structure of an artificial dimeric DnaK complex Descriptor: Chaperone protein DnaK Authors: Zahn, M, Straeter, N. Deposit date: 2012-05-03 Release date: 2013-04-17 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Structural Studies on the Forward and Reverse Binding Modes of Peptides to the Chaperone DnaK. J.Mol.Biol., 425, 2013
3PEP	REVISED 2.3 ANGSTROMS STRUCTURE OF PORCINE PEPSIN. EVIDENCE FOR A FLEXIBLE SUBDOMAIN Descriptor: ETHANOL, PEPSIN Authors: Abad-Zapatero, C, Erickson, J.W. Deposit date: 1989-10-24 Release date: 1990-04-15 Last modified: 2017-11-29 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Revised 2.3 A structure of porcine pepsin: evidence for a flexible subdomain Proteins, 8, 1990
4EYN	Human Insulin Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ... Authors: Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R. Deposit date: 2012-05-01 Release date: 2013-05-01 Last modified: 2017-11-15 Method: X-RAY DIFFRACTION (1.532 Å) Cite: Structural meta-analysis of regular human insulin in pharmaceutical formulations. Eur J Pharm Biopharm, 85, 2013
3PBZ	Endothiapepsin in complex with a fragment Descriptor: 4-(diethylamino)benzohydrazide, DIMETHYL SULFOXIDE, Endothiapepsin, ... Authors: Koester, H, Heine, A, Klebe, G. Deposit date: 2010-10-21 Release date: 2011-10-19 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.48 Å) Cite: A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes. J.Med.Chem., 54, 2011
6EI8	Crystal structure of human tRNA-dihydrouridine (20) synthase dsRBD F359A mutant Descriptor: SULFATE ION, tRNA-dihydrouridine(20) synthase [NAD(P)+]-like Authors: Bou-Nader, C, Pecqueur, L, Hamdane, D. Deposit date: 2017-09-18 Release date: 2018-10-10 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Conformational Stability Adaptation of a Double-Stranded RNA-Binding Domain to Transfer RNA Ligand. Biochemistry, 58, 2019
6EGY	Crystal structure of cytochrome c in complex with mono-PEGylated sulfonatocalix[4]arene Descriptor: Cytochrome c iso-1, HEME C, SULFATE ION, ... Authors: Mummidivarapu, V.V.S, Rennie, M.L, Crowley, P.B. Deposit date: 2017-09-12 Release date: 2018-10-10 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Noncovalent PEGylation via Sulfonatocalix[4]arene-A Crystallographic Proof. Bioconjug.Chem., 29, 2018
4F0O	Human Insulin Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ... Authors: Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R. Deposit date: 2012-05-04 Release date: 2013-05-08 Last modified: 2013-12-18 Method: X-RAY DIFFRACTION (1.672 Å) Cite: Structural meta-analysis of regular human insulin in pharmaceutical formulations. Eur J Pharm Biopharm, 85, 2013
4EZT	Crystal structure of the substrate binding domain of E.coli DnaK in complex with heliocin (residues 14 to 21) Descriptor: Chaperone protein DnaK, Heliocin Authors: Zahn, M, Straeter, N. Deposit date: 2012-05-03 Release date: 2013-04-17 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural Studies on the Forward and Reverse Binding Modes of Peptides to the Chaperone DnaK. J.Mol.Biol., 425, 2013
4F02	Crystal structure of the PABP-binding site of eIF4G in complex with RRM1-2 of PABP and poly(A) Descriptor: Eukaryotic translation initiation factor 4 gamma 1, Polyadenylate-binding protein 1, RNA (5'-R(*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3') Authors: Safaee, N, Kozlov, G, Gehring, K.B. Deposit date: 2012-05-03 Release date: 2012-08-08 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2 Å) Cite: Interdomain Allostery Promotes Assembly of the Poly(A) mRNA Complex with PABP and eIF4G. Mol.Cell, 48, 2012
4F0N	Human Insulin Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ... Authors: Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R. Deposit date: 2012-05-04 Release date: 2013-05-08 Last modified: 2013-12-18 Method: X-RAY DIFFRACTION (1.679 Å) Cite: Structural meta-analysis of regular human insulin in pharmaceutical formulations. Eur J Pharm Biopharm, 85, 2013
3PEC	Siderocalin Recognitin of Carboxymycobactins: Interference by the immune system in intracellular iron acquisition by Mycobacteria tuberculosis Descriptor: 9-{hydroxy[(5S,6R)-6-hydroxy-6-{[(1S)-3-{[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino}-1-methyl-3-oxopropyl]oxy}-5-({[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)hexyl]amino}-9-oxononanoic acid, FE (III) ION, GLYCEROL, ... Authors: Clifton, M.C. Deposit date: 2010-10-25 Release date: 2011-10-05 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.19 Å) Cite: Siderocalin Recognitin of Carboxymycobactins: Interference by the immune system in intracellular iron acquisition by Mycobacteria tuberculosis To be Published
4F4T	Human Insulin Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ... Authors: Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R. Deposit date: 2012-05-11 Release date: 2013-05-15 Last modified: 2013-12-18 Method: X-RAY DIFFRACTION (1.637 Å) Cite: Structural meta-analysis of regular human insulin in pharmaceutical formulations. Eur J Pharm Biopharm, 85, 2013
3PBF	Surfactant Protein-A neck and carbohydrate recognition domain (NCRD) complexed with glycerol Descriptor: CALCIUM ION, GLYCEROL, Pulmonary surfactant-associated protein A Authors: Shang, F, Rynkiewicz, M.J, McCormack, F.X, Wu, H, Cafarella, T.M, Head, J, Seaton, B.A. Deposit date: 2010-10-20 Release date: 2010-11-03 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystallographic complexes of surfactant protein A and carbohydrates reveal ligand-induced conformational change. J.Biol.Chem., 286, 2011
3PCW	Endothiapepsin in complex with a fragment Descriptor: 4-(trifluoromethyl)benzenecarboximidamide, DIMETHYL SULFOXIDE, Endothiapepsin, ... Authors: Koester, H, Heine, A, Klebe, G. Deposit date: 2010-10-22 Release date: 2011-10-19 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.25 Å) Cite: A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes. J.Med.Chem., 54, 2011
4EYP	Human Insulin Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ... Authors: Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R. Deposit date: 2012-05-01 Release date: 2013-05-01 Last modified: 2017-11-15 Method: X-RAY DIFFRACTION (1.591 Å) Cite: Structural meta-analysis of regular human insulin in pharmaceutical formulations. Eur J Pharm Biopharm, 85, 2013
4F16	Crystal Structure of the alpha spectrin SH3 domain at pH 5 Descriptor: Spectrin alpha chain, brain Authors: Camara-Artigas, A, Gavira, J.A. Deposit date: 2012-05-06 Release date: 2013-05-08 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.93 Å) Cite: Crystal Structure of the alpha spectrin SH3 domain at pH 5 To be Published
3PED	Siderocalin Recognitin of Carboxymycobactins: Interference by the immune system in intracellular iron acquisition by Mycobacteria tuberculosis Descriptor: (9Z)-11-{hydroxy[(5S)-6-{[(1S)-3-{[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino}-1-methyl-3-oxopropyl]oxy}-5-({[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)-6-oxohexyl]amino}-11-oxoundec-9-enoic acid, FE (III) ION, Neutrophil gelatinase-associated lipocalin, ... Authors: Clifton, M.C. Deposit date: 2010-10-25 Release date: 2011-10-05 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Siderocalin Recognitin of Carboxymycobactins: Interference by the immune system in intracellular iron acquisition by Mycobacteria tuberculosis To be Published
6GHV	Structure of a DC-SIGN CRD in complex with high affinity glycomimetic. Descriptor: CALCIUM ION, CD209 antigen, CHLORIDE ION, ... Authors: Thepaut, M, Achilli, S, Medve, L, Bernardi, A, Fieschi, F. Deposit date: 2018-05-09 Release date: 2019-09-11 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Enhancing Potency and Selectivity of a DC-SIGN Glycomimetic Ligand by Fragment-Based Design: Structural Basis. Chemistry, 25, 2019

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