PDB: 37273 resultsInfo pagesStatus searchChemie searchBIRD

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5YQA	The crystal structure of CYP199A4 binding with 4-n-Propyl benzoic acid Descriptor: 4-propylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... Authors: Zhou, W, Zhang, T, Qiao, R, Bell, S, Coleman, T. Deposit date: 2017-11-06 Release date: 2019-02-27 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.38 Å) Cite: The crystal structure of CYP199A4 binding with 4-n-Propyl benzoic acid To Be Published
4YCK	Endothiapepsin in complex with fragment 211 Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... Authors: Stieler, M, Heine, A, Klebe, G. Deposit date: 2015-02-20 Release date: 2016-03-02 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.07 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
8DYC	Human CYP3A4 bound to a substrate Descriptor: 2-butyl-6-(butylamino)-1H-benzo[de]isoquinoline-1,3(2H)-dione, Cytochrome P450 3A4, GLYCEROL, ... Authors: Sevrioukova, I.F. Deposit date: 2022-08-04 Release date: 2022-10-26 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Crystal Structure of CYP3A4 Complexed with Fluorol Identifies the Substrate Access Channel as a High-Affinity Ligand Binding Site. Int J Mol Sci, 23, 2022
8FP6	Crystal structure of hen egg white lysozyme Descriptor: Lysozyme C, SODIUM ION Authors: Lima, L.M.T.R, Ramos, N.G. Deposit date: 2023-01-04 Release date: 2024-01-17 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Crystal structure of hen egg white lysozyme To be published
8FPM	Crystal structure of hen egg white lysozyme Descriptor: Lysozyme C, SODIUM ION Authors: Lima, L.M.T.R, Ramos, N.G. Deposit date: 2023-01-05 Release date: 2024-01-17 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Crystal structure of hen egg white lysozyme To Be Published
8DOH	Dehaloperoxidase B in complex with Bisphenol F Descriptor: 4,4'-methylenediphenol, Dehaloperoxidase B, GLYCEROL, ... Authors: de Serrano, V.S, Yun, D, Ghiladi, R. Deposit date: 2022-07-13 Release date: 2022-11-02 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Oxidation of bisphenol A (BPA) and related compounds by the multifunctional catalytic globin dehaloperoxidase. J.Inorg.Biochem., 238, 2023
6S4C	Crystal Structure of the vWFA2 subdomain of type VII collagen Descriptor: Collagen alpha-1(VII) chain, MAGNESIUM ION, PHOSPHATE ION, ... Authors: Gebauer, J.M, Flachsenberg, F, Baumann, U, Seeger, K. Deposit date: 2019-06-27 Release date: 2020-02-19 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural and biophysical characterization of the type VII collagen vWFA2 subdomain leads to identification of two binding sites. Febs Open Bio, 10, 2020
5YIE	Crystal Structure of KNI-10742 bound Plasmepsin II (PMII) from Plasmodium falciparum Descriptor: (4R)-3-[(2S,3S)-3-[2-[4-[2-azanylethyl(ethyl)amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Plasmepsin II, ... Authors: Mishra, V, Rathore, I, Bhaumik, P. Deposit date: 2017-10-04 Release date: 2018-07-11 Last modified: 2019-05-29 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights. Febs J., 285, 2018
8FSF	Crystal structure of hen egg white lysozyme Descriptor: Lysozyme C, SODIUM ION Authors: Lima, L.M.T.R, Ramos, N.G. Deposit date: 2023-01-09 Release date: 2024-01-17 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Crystal structure of hen egg white lysozyme To Be Published
8FT2	Crystal structure of hen egg white lysozyme Descriptor: Lysozyme C, SODIUM ION Authors: Lima, L.M.T.R, Ramos, N.G. Deposit date: 2023-01-11 Release date: 2024-01-17 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Crystal structure of hen egg white lysozyme To Be Published
6S11	Crystal Structure of DYRK1A with small molecule inhibitor Descriptor: 6-pyridin-4-yl-3-[3-(trifluoromethyloxy)phenyl]imidazo[1,2-b]pyridazine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A Authors: Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M. Deposit date: 2019-06-18 Release date: 2019-06-26 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.445 Å) Cite: Kinase Scaffold Repurposing in the Public Domain To be published
6S14	Crystal Structure of DYRK1A with small molecule inhibitor Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ~{N}-cyclopropyl-~{N}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine Authors: Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M. Deposit date: 2019-06-18 Release date: 2019-06-26 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.05 Å) Cite: Kinase Scaffold Repurposing in the Public Domain To be published
8DOI	Dehaloperoxidase B in complex with 2,2'-Biphenol Descriptor: 2-(2-hydroxyphenyl)phenol, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... Authors: de Serrano, V.S, Yun, D, Ghiladi, R. Deposit date: 2022-07-13 Release date: 2022-11-02 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.93 Å) Cite: Oxidation of bisphenol A (BPA) and related compounds by the multifunctional catalytic globin dehaloperoxidase. J.Inorg.Biochem., 238, 2023
6S17	Crystal Structure of DYRK1A with small molecule inhibitor Descriptor: 1,2-ETHANEDIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ... Authors: Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M. Deposit date: 2019-06-18 Release date: 2019-06-26 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.1 Å) Cite: Kinase Scaffold Repurposing in the Public Domain To be published
4PHG	Crystal structure of Ypt7 covalently modified with GTP Descriptor: GTP-binding protein YPT7, MAGNESIUM ION, N-[3-(propanoylamino)propyl]guanosine 5'-(tetrahydrogen triphosphate), ... Authors: Koch, D, Wiegandt, D, Vieweg, S, Hofmann, F, Wu, Y, Itzen, A, Mueller, M.P, Goody, R.S. Deposit date: 2014-05-06 Release date: 2014-05-28 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Locking GTPases covalently in their functional states. Nat Commun, 6, 2015
6S2S	Hydrogenated human myelin protein P2 at 0.86-A resolution Descriptor: CITRIC ACID, Myelin P2 protein, PALMITIC ACID, ... Authors: Laulumaa, S, Kursula, P. Deposit date: 2019-06-21 Release date: 2019-08-28 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (0.86 Å) Cite: Sub-Atomic Resolution Crystal Structures Reveal Conserved Geometric Outliers at Functional Sites. Molecules, 24, 2019
6BLW	Zinc finger Domain of WT1(+KTS form) with M342R Mutation and 17+1mer Oligonucleotide with Triplet GGT Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*TP*AP*AP*CP*CP*CP*TP*CP*CP*CP*AP*TP*TP*TP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*AP*AP*AP*TP*GP*GP*GP*AP*GP*GP*GP*TP*T)-3'), ... Authors: Horton, J.R, Cheng, X. Deposit date: 2017-11-11 Release date: 2018-01-03 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (1.835 Å) Cite: Role for first zinc finger of WT1 in DNA sequence specificity: Denys-Drash syndrome-associated WT1 mutant in ZF1 enhances affinity for a subset of WT1 binding sites. Nucleic Acids Res., 46, 2018
7TND	The crystal structure of CYP199A4 bound to 4-phenoxybenzoic acid Descriptor: 4-phenoxybenzoic acid, CHLORIDE ION, Cytochrome P450, ... Authors: Podgorski, M, Bell, S.G. Deposit date: 2022-01-20 Release date: 2023-01-04 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.825 Å) Cite: Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering. Chemistry, 28, 2022
7TNF	The crystal structure of F298V CYP199A4 bound to 4-phenylbenzoic acid Descriptor: CHLORIDE ION, Cytochrome P450, MAGNESIUM ION, ... Authors: Podgorski, M, Bell, S.G. Deposit date: 2022-01-21 Release date: 2023-01-04 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.539 Å) Cite: Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering. Chemistry, 28, 2022
4YI8	Crystal structure of non-myristoylated E153A recoverin at 1.2 A resolution with calcium ions bound to EF-hands 2 and 3 Descriptor: CALCIUM ION, Recoverin, SULFATE ION Authors: Prem Kumar, R, Ranaghan, M.J, Oprian, D.D. Deposit date: 2015-02-28 Release date: 2015-12-02 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Crystal Structure of Recoverin with Calcium Ions Bound to Both Functional EF Hands. Biochemistry, 54, 2015
7TNU	The crystal structure of F298V CYP199A4 bound to 4-cyclohexylbenzoic acid Descriptor: 4-cyclohexylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... Authors: Podgorski, M, Bell, S.G. Deposit date: 2022-01-21 Release date: 2023-01-04 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.584 Å) Cite: Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering. Chemistry, 28, 2022
8DOG	Dehaloperoxidase B in complex with Bisphenol E Descriptor: 4-[1-(4-hydroxyphenyl)ethyl]phenol, Dehaloperoxidase B, GLYCEROL, ... Authors: de Serrano, V.S, Yun, D, Ghiladi, R. Deposit date: 2022-07-13 Release date: 2022-11-02 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.48 Å) Cite: Oxidation of bisphenol A (BPA) and related compounds by the multifunctional catalytic globin dehaloperoxidase. J.Inorg.Biochem., 238, 2023
6S4I	Crystal structure of zinc free A14E, B25H, B29K(N(eps)-[2-(2-[2-(2-[2-(Octadecandioyl-gamma-Glu)amino]ethoxy)ethoxy]acetylamino)ethoxy]ethoxy)acetyl]), desB30 human insulin Descriptor: Insulin, NITRATE ION Authors: Johansson, E. Deposit date: 2019-06-28 Release date: 2020-07-15 Last modified: 2020-08-12 Method: X-RAY DIFFRACTION (1.511 Å) Cite: Molecular engineering of safe and efficacious oral basal insulin. Nat Commun, 11, 2020
8DOJ	Dehaloperoxidase B in complex with 3,3'-Biphenol Descriptor: (1P)-[1,1'-biphenyl]-3,3'-diol, Dehaloperoxidase B, GLYCEROL, ... Authors: de Serrano, V.S, Yun, D, Ghiladi, R. Deposit date: 2022-07-13 Release date: 2022-11-02 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Oxidation of bisphenol A (BPA) and related compounds by the multifunctional catalytic globin dehaloperoxidase. J.Inorg.Biochem., 238, 2023
7TP6	The crystal structure of T252E CYP199A4 bound to 4-methylthiobenzoic acid Descriptor: 4-methylsulfanylbenzoic acid, ACETATE ION, CHLORIDE ION, ... Authors: Podgorski, M, Bell, S.G. Deposit date: 2022-01-25 Release date: 2023-01-04 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.655 Å) Cite: Investigating the Active Oxidants Involved in Cytochrome P450 Catalyzed Sulfoxidation Reactions. Chemistry, 28, 2022

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