PDB: 36701 resultsInfo pagesStatus searchChemie searchBIRD

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8YBG	Crystal structure of lysozyme by serial synchrotron crystallography Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION Authors: Nam, K.H. Deposit date: 2024-02-14 Release date: 2024-02-28 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Crystal structure of lysozyme by serial synchrotron crystallography To Be Published
8S0M	Crystal structure of the HKU1 receptor binding domain in complex with TMPRSS2 and the nanobody A01 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody A01, ... Authors: Duquerroy, S, Fernandez, I, Rey, F. Deposit date: 2024-02-14 Release date: 2024-06-26 Method: X-RAY DIFFRACTION (3.55 Å) Cite: Structural insights into TMPRSS2 maturation and HKU1 binding To Be Published
8S0L	Crystal structure of the TMPRSS2 zymogen in complex with the nanobody A07 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Nanobody A07, ... Authors: Duquerroy, S, Fernandez, I, Rey, F. Deposit date: 2024-02-14 Release date: 2024-06-26 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structural insights into TMPRSS2 maturation and HKU1 binding To Be Published
8S0N	Crystal structure of the TMPRSS2 zymogen in complex with the nanobody A07 Descriptor: Transmembrane protease serine 2, nanobody A07 Authors: Duquerroy, S, Fernandez, I, Rey, F. Deposit date: 2024-02-14 Release date: 2024-06-26 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structural insights into TMPRSS2 maturation and HKU1 binding To Be Published
8S0P	A fragment-based inhibitor of SHP2 Descriptor: 1-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]-4-methyl-piperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-14 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (2 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8S0K	A fragment-based inhibitor of SHP2 Descriptor: 3-[2,3-bis(chloranyl)phenyl]-5-methyl-6-(piperazin-1-ylmethyl)-1H-pyrrolo[3,2-b]pyridine, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-14 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (1.84 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8S0S	A fragment-based inhibitor of SHP2 Descriptor: (1R,5S)-8-[7-(4-chloranyl-2-methyl-indazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-14 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (1.94 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8S0O	A fragment-based inhibitor of SHP2 Descriptor: 3-[4-chloranyl-2-(1H-pyrazol-4-ylmethyl)indazol-5-yl]-5-methyl-6-(piperazin-1-ylmethyl)-1H-pyrrolo[3,2-b]pyridine, FORMIC ACID, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-14 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (1.834 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8S0I	A fragment-based inhibitor of SHP2 Descriptor: 3-phenyl-1H-pyrrolo[3,2-b]pyridine, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-14 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (1.929 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8S0Q	A fragment-based inhibitor of SHP2 Descriptor: (1S,5R)-8-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]-8-azabicyclo[3.2.1]octan-3-amine, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-14 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (1.872 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8S0H	A fragment-based inhibitor of SHP2 Descriptor: 5-(aminomethyl)-N-(3-chloranyl-1-methyl-indol-7-yl)-1,3-dihydroisoindole-2-sulfonamide, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-14 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (1.99 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8S0J	A fragment-based inhibitor of SHP2 Descriptor: 3-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]propan-1-amine, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-14 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (1.89 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8W00	Q108K:K40L:T51V:T53S:Y19W:R58W:L117E mutant of hCRBPII bound to synthetic fluorophore TD-1V Descriptor: (2E)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}but-2-enal, ACETATE ION, Retinol-binding protein 2 Authors: Nossoni, Z, Bingham, C.R, Geiger, J.H. Deposit date: 2024-02-13 Release date: 2024-04-03 Method: X-RAY DIFFRACTION (1.23 Å) Cite: Regulation of Emission via a Protein-Bound Fluorophore To Be Published
8VZZ	Q108K:K40L:T51V:T53S:Y19W:R58W mutant of hCRBPII bound to synthetic fluorophore TD-1V Descriptor: (2E)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}but-2-enal, ACETATE ION, Retinol-binding protein 2 Authors: Nosssoni, Z, Bingham, C.R, Geiger, J.H, Borhan, B. Deposit date: 2024-02-13 Release date: 2024-04-03 Method: X-RAY DIFFRACTION (1.22 Å) Cite: Regulation of Emission via a Protein-Bound Fluorophore To Be Published
8VZY	Q108K:K40L:T51V:T53S:R58Y mutant of hCRBPII bound to synthetic fluorophore TD-1V Descriptor: (2E)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}but-2-enal, ACETATE ION, Retinol-binding protein 2 Authors: Nossoni, Z, Bingham, C.R, Geiger, J.H, Borhan, B. Deposit date: 2024-02-13 Release date: 2024-04-03 Method: X-RAY DIFFRACTION (1.34 Å) Cite: Regulation of Emission via a Protein-Bound Fluorophore To Be Published
8W02	Q108K:K40L:T51V:T53S:R58W mutant of hCRBPII bound to synthetic fluorophore TD-1V Descriptor: (2E)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}but-2-enal, ACETATE ION, Retinol-binding protein 2 Authors: Ghanbarpour, A, Geiger, J.H, Borhan, B. Deposit date: 2024-02-13 Release date: 2024-04-03 Method: X-RAY DIFFRACTION (1.499 Å) Cite: Regulation of Emission via a Protein-Bound Fluorophore To Be Published
8VZX	Q108K:K40L:T53A:R58F mutant of hCRBPII bound to synthetic fluorophore TD-1V Descriptor: (2E)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}but-2-enal, ACETATE ION, Retinol-binding protein 2 Authors: Nossoni, Z, Bingham, C.R, Geiger, J.H. Deposit date: 2024-02-13 Release date: 2024-04-03 Method: X-RAY DIFFRACTION (1.47 Å) Cite: Regulation of Emission via a Protein-Bound Fluorophore To Be Published
8RZW	A fragment-based inhibitor of SHP2 Descriptor: 3,5-bis(chloranyl)pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-13 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (2.02 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8S06	A fragment-based inhibitor of SHP2 Descriptor: 1H-pyrrolo[3,2-b]pyridin-7-amine, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-13 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (2.19 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8S04	A fragment-based inhibitor of SHP2 Descriptor: N-(1H-indol-7-yl)methanesulfonamide, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-13 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (1.89 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8RZV	Structure of UP1 S4ES6E phosphomimetic mutant in complex with human telomeric repeat DNA Descriptor: DNA (5'-D(P*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed Authors: Dunnett, L, Prischi, F. Deposit date: 2024-02-13 Release date: 2024-03-13 Method: X-RAY DIFFRACTION (1.51 Å) Cite: Structure of UP1 S4ES6E phosphomimetic mutant in complex with human telomeric repeat DNA To Be Published
8S01	A fragment-based inhibitor of SHP2 Descriptor: 3-(4-chlorophenyl)-1H-pyrazole, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-13 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (2.17 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8S07	A fragment-based inhibitor of SHP2 Descriptor: 7-azanyl-N-pyridin-3-yl-3H-pyrrolo[3,2-b]pyridine-2-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... Authors: Cleasby, A, Price, A. Deposit date: 2024-02-13 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (1.83 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8RZY	A fragment-based inhibitor of SHP2 Descriptor: 1H-pyrrolo[3,2-b]pyridin-5-amine, DIMETHYL SULFOXIDE, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-13 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (1.91 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8VZ7	Crystal Structure of Human Cytochrome P450 2C9*27 (R150L) Genetic Variant in Complex with the Drug Losartan Descriptor: Cytochrome P450 2C9, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Shah, M.B. Deposit date: 2024-02-11 Release date: 2024-06-12 Last modified: 2024-06-26 Method: X-RAY DIFFRACTION (2.53 Å) Cite: Structural and biophysical analysis of cytochrome P450 2C9*14 and *27 variants in complex with losartan. J.Inorg.Biochem., 258, 2024

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