PDB: 45853 resultsInfo pagesStatus searchChemie searchBIRD

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6FYG	The crystal structure of EncM V135T mutant Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Putative FAD-dependent oxygenase EncM Authors: Saleem-Batcha, R, Teufel, R. Deposit date: 2018-03-11 Release date: 2018-05-02 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.55 Å) Cite: Enzymatic control of dioxygen binding and functionalization of the flavin cofactor. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6FZ5	Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and inhibitor bound Descriptor: 4-[3-[(8~{a}~{R})-3,4,6,7,8,8~{a}-hexahydro-1~{H}-pyrrolo[1,2-a]pyrazin-2-yl]propyl]-2,6-bis(chloranyl)-~{N}-methyl-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, ... Authors: Kersten, F.C, Brenk, R. Deposit date: 2018-03-14 Release date: 2019-03-27 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.89 Å) Cite: How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study UsingN-Myristoyltransferases as a Model System. J.Med.Chem., 63, 2020
6FVI	ASH / PapD-like domain of human CEP192 (PapD-like domain 7) Descriptor: CHLORIDE ION, Centrosomal protein of 192 kDa Authors: Kovalevskiy, O.V, van Breugel, M. Deposit date: 2018-03-02 Release date: 2019-03-20 Method: X-RAY DIFFRACTION (1 Å) Cite: ASH / PapD-like domain of human CEP192 (PapD-like domain 7) To Be Published
6GAY	A fast recovering full-length LOV protein (DsLOV) from the marine phototrophic bacterium Dinoroseobacter shibae (Dark state) - M49I mutant Descriptor: FLAVIN MONONUCLEOTIDE, Putative blue-light photoreceptor, SULFATE ION Authors: Granzin, J, Batra-Safferling, R, Roellen, K. Deposit date: 2018-04-13 Release date: 2018-07-18 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.86 Å) Cite: Mechanistic Basis of the Fast Dark Recovery of the Short LOV Protein DsLOV from Dinoroseobacter shibae. Biochemistry, 57, 2018
6GC2	AbLIFT: Antibody stability and affinity optimization by computational design of the variable light-heavy chain interface Descriptor: Heavy chain, Light Chain Authors: Warszawski, S, Katz, A, Khmelnitsky, L, Ben Nissan, G, Javitt, G, Dym, O, Unger, T, Knop, O, Diskin, R, Albeck, S, Fass, D, Sharon, M, Fleishman, S.J. Deposit date: 2018-04-17 Release date: 2019-05-01 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (2.55 Å) Cite: Optimizing antibody affinity and stability by the automated design of the variable light-heavy chain interfaces. Plos Comput.Biol., 15, 2019
6FNQ	Ergothioneine-biosynthetic methyltransferase EgtD in complex with N,N,N-trimethylhistidine (hercynine) Descriptor: GLYCEROL, Histidine N-alpha-methyltransferase, MAGNESIUM ION, ... Authors: Vit, A, Blankenfeldt, W, Seebeck, F.P. Deposit date: 2018-02-05 Release date: 2018-06-13 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Inhibition and Regulation of the Ergothioneine Biosynthetic Methyltransferase EgtD. ACS Chem. Biol., 13, 2018
8HGU	Epoxide hydrolase from Bosea sp. PAMC 26642 Descriptor: Alpha/beta hydrolase Authors: Lee, M.J, Hwang, J, Do, H, Lee, J.H. Deposit date: 2022-11-15 Release date: 2023-11-22 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.94 Å) Cite: Structural insights into the distinct substrate preferences of two bacterial epoxide hydrolases. Int.J.Biol.Macromol., 264, 2024
6G88	Crystal structure of Enterococcus Faecium D63r Penicillin-Binding protein 5 (PBP5fm) Descriptor: (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyrrolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Low affinity penicillin-binding protein 5 (PBP5), SULFATE ION Authors: Sauvage, E, El Gachi, M, Herman, R, Kerff, F, Charlier, P. Deposit date: 2018-04-08 Release date: 2019-04-24 Method: X-RAY DIFFRACTION (3.3 Å) Cite: Structural basis of inactivation of Enterococcus faecium penicillin binding protein 5 by ceftobiprole. To Be Published
6FR4	003 TCR Study of CDR Loop Flexibility Descriptor: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ... Authors: Rizkallah, P.J, Cole, D.K. Deposit date: 2018-02-15 Release date: 2018-04-18 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.28 Å) Cite: In Silicoand Structural Analyses Demonstrate That Intrinsic Protein Motions Guide T Cell Receptor Complementarity Determining Region Loop Flexibility. Front Immunol, 9, 2018
8HMO	Crystal Structure of metal-dependent hydrolase complexed with manganese from Bacillus smithii Descriptor: MANGANESE (II) ION, Metal-dependent hydrolase Authors: Yoneda, K, Sakuraba, H, Ohshima, T. Deposit date: 2022-12-05 Release date: 2023-12-06 Method: X-RAY DIFFRACTION (2.53 Å) Cite: Crystal Structure of metal-dependent hydrolase complexed with manganese from Bacillus smithii To Be Published
7JJE	Sarcin-ricin loop with guanosine dithiophosphate residue. Descriptor: RNA (27-MER) Authors: Pallan, P.S, Egli, M, Harp, J.M. Deposit date: 2020-07-25 Release date: 2020-12-23 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Incorporating a Thiophosphate Modification into a Common RNA Tetraloop Motif Causes an Unanticipated Stability Boost. Biochemistry, 59, 2020
6FUP	F11 T-Cell Receptor Recognising PKYVKQNTLKLAT Peptide Presented by HLA-DR*0101 Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... Authors: Rizkallah, P.J, Cole, D.K. Deposit date: 2018-02-27 Release date: 2018-04-18 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (1.72 Å) Cite: In Silicoand Structural Analyses Demonstrate That Intrinsic Protein Motions Guide T Cell Receptor Complementarity Determining Region Loop Flexibility. Front Immunol, 9, 2018
6FYB	The crystal structure of EncM L144M mutant Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Putative FAD-dependent oxygenase EncM Authors: Saleem-Batcha, R, Teufel, R. Deposit date: 2018-03-11 Release date: 2018-05-02 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.882 Å) Cite: Enzymatic control of dioxygen binding and functionalization of the flavin cofactor. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7JJQ	Human Hemoglobin in Complex with Nitrosoamphetamine Descriptor: (2R)-N-hydroxy-1-phenylpropan-2-amine, GLYCEROL, Hemoglobin subunit alpha, ... Authors: Powell, S.M, Thomas, L.M, Richter-Addo, G.B. Deposit date: 2020-07-27 Release date: 2020-11-11 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.15 Å) Cite: The nitrosoamphetamine metabolite is accommodated in the active site of human hemoglobin: Spectroscopy and crystal structure. J.Inorg.Biochem., 213, 2020
6FYE	The crystal structure of EncM H138T mutant Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Putative FAD-dependent oxygenase EncM Authors: Saleem-Batcha, R, Teufel, R. Deposit date: 2018-03-11 Release date: 2018-05-02 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Enzymatic control of dioxygen binding and functionalization of the flavin cofactor. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5QUE	HumRadA1.2 soaked with napht-2,3-diol for 10 minutes at 20 mM Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol Authors: Marsh, M, Hyvonen, M. Deposit date: 2020-01-27 Release date: 2021-03-03 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Optimisation of crystal forms for structure-guided drug discovery To be published
5QUF	HumRadA1.2 soaked with napht-2,3-diol overnight at 20 mM Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol Authors: Marsh, M, Hyvonen, M. Deposit date: 2020-01-27 Release date: 2021-03-03 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.35 Å) Cite: Optimisation of crystal forms for structure-guided drug discovery To be published
5QUB	HumRadA1.2 soaked with napht-2,3-diol for 30 seconds at 20 mM Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol Authors: Marsh, M, Hyvonen, M. Deposit date: 2020-01-27 Release date: 2021-03-03 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.35 Å) Cite: Optimisation of crystal forms for structure-guided drug discovery To be published
5QUC	HumRadA1.2 soaked with napht-2,3-diol for 60 seconds at 20 mM Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol Authors: Marsh, M, Hyvonen, M. Deposit date: 2020-01-27 Release date: 2021-03-03 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.43 Å) Cite: Optimisation of crystal forms for structure-guided drug discovery To be published
5QUH	HumRadA1.2 soaked with napht-2,3-diol overnight at 2 mM Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol Authors: Marsh, M, Hyvonen, M. Deposit date: 2020-01-27 Release date: 2021-03-03 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.38 Å) Cite: Optimisation of crystal forms for structure-guided drug discovery To be published
5QUD	HumRadA1.2 soaked with napht-2,3-diol for 5 minutes at 20 mM Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol Authors: Marsh, M, Hyvonen, M. Deposit date: 2020-01-27 Release date: 2021-03-03 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Optimisation of crystal forms for structure-guided drug discovery To be published
5QUG	HumRadA1.2 soaked with napht-2,3-diol overnight at 1 mM Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol Authors: Marsh, M, Hyvonen, M. Deposit date: 2020-01-27 Release date: 2021-03-03 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.48 Å) Cite: Optimisation of crystal forms for structure-guided drug discovery To be published
5QUO	HumRadA1 soaked with 0.2 mM indazole in 10% DMSO Descriptor: PHOSPHATE ION, RadA Authors: Marsh, M, Hyvonen, M. Deposit date: 2020-01-27 Release date: 2021-03-03 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.342 Å) Cite: Optimisation of crystal forms for structure-guided drug discovery To be published
5QUI	HumRadA1.2 soaked with napht-2,3-diol overnight at 5 mM Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol Authors: Marsh, M, Hyvonen, M. Deposit date: 2020-01-27 Release date: 2021-03-03 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Optimisation of crystal forms for structure-guided drug discovery To be published
5QUQ	HumRadA1 soaked with 1 mM indazole in 10% DMSO Descriptor: PHOSPHATE ION, RadA Authors: Marsh, M, Hyvonen, M. Deposit date: 2020-01-27 Release date: 2021-03-03 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.249 Å) Cite: Optimisation of crystal forms for structure-guided drug discovery To be published

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