PDB: 72150 resultsInfo pagesStatus searchChemie searchBIRD

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7JHF	Solution NMR structure of protonectin-F, a derived peptide from wasp Descriptor: Protonectin-F derived peptide ILE-PHE-GLY-THR-ILE-LEU-GLY-PHE-LEU-LYS-GLY-LEU-NH2 Authors: Muller, J.A.I, Craik, D.J, Koehbach, J. Deposit date: 2020-07-20 Release date: 2020-12-16 Last modified: 2023-06-14 Method: SOLUTION NMR Cite: Antimicrobial and Anticancer Properties of Synthetic Peptides Derived from the Wasp Parachartergus fraternus. Chembiochem, 22, 2021
7JGY	Solution NMR structure of protonectin, a peptide from wasp Descriptor: Protonectin peptide ILE-LEU-GLY-THR-ILE-LEU-GLY-LEU-LEU-LYS-GLY-LEU-NH2 Authors: Muller, J.A.I, Craik, D.J, Koehbach, J. Deposit date: 2020-07-20 Release date: 2020-12-16 Last modified: 2023-06-14 Method: SOLUTION NMR Cite: Antimicrobial and Anticancer Properties of Synthetic Peptides Derived from the Wasp Parachartergus fraternus. Chembiochem, 22, 2021
8EZV	SARS-CoV-2 Main Protease (Mpro) in Complex with ML2006a Descriptor: (1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 Authors: Westberg, M, Fernandez, D, Lin, M.Z. Deposit date: 2022-11-01 Release date: 2023-10-11 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.8 Å) Cite: An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16, 2024
8EZZ	SARS-CoV-2 Main Protease (Mpro) in Complex with ML2006a2 Descriptor: (1R,2S,5S)-N-{(2S,3R)-4-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION Authors: Westberg, M, Fernandez, D, Lin, M.Z. Deposit date: 2022-11-01 Release date: 2023-10-11 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.85 Å) Cite: An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16, 2024
8F2D	SARS-CoV-2 Main Protease (Mpro) in Complex with ML4006a Descriptor: (1R,2S,5S)-N-[(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-(2-oxopiperidin-1-yl)butan-2-yl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION Authors: Westberg, M, Fernandez, D, Lin, M.Z. Deposit date: 2022-11-07 Release date: 2023-10-11 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.95 Å) Cite: An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16, 2024
8F02	SARS-CoV-2 Main Protease (Mpro) in Complex with ML2006a4 Descriptor: (1R,2S,5S)-N-{(2S,3R)-4-(3,3-dimethylazetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 Authors: Westberg, M, Fernandez, D, Lin, M.Z. Deposit date: 2022-11-01 Release date: 2023-10-11 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2 Å) Cite: An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16, 2024
8F2C	SARS-CoV-2 Main Protease (Mpro) in Complex with ML3006a Descriptor: (1R,2S,5S)-N-[(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-1-yl)butan-2-yl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION Authors: Westberg, M, Fernandez, D, Lin, M.Z. Deposit date: 2022-11-07 Release date: 2023-10-11 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.95 Å) Cite: An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16, 2024
5CUL	crystal structure of the PscU C-terminal domain Descriptor: Translocation protein in type III secretion Authors: Bergeron, J.R.C, Strynadka, N.C.J. Deposit date: 2015-07-24 Release date: 2015-12-02 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.9 Å) Cite: The Structure of a Type 3 Secretion System (T3SS) Ruler Protein Suggests a Molecular Mechanism for Needle Length Sensing. J.Biol.Chem., 291, 2016
5CUK	Crystal structure of the PscP SS domain Descriptor: GLYCEROL, Ruler protein Authors: Bergeron, J.R.C, Strynadka, N.C.J. Deposit date: 2015-07-24 Release date: 2015-12-02 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.1 Å) Cite: The Structure of a Type 3 Secretion System (T3SS) Ruler Protein Suggests a Molecular Mechanism for Needle Length Sensing. J.Biol.Chem., 291, 2016
6TAM	X-RAY STRUCTURE OF HUMAN K-RAS G12C IN COMPLEX WITH COVALENT ISOQUINOLINONE INHIBITOR (COMPOUND 3) Descriptor: 7-[2,4-bis(fluoranyl)phenyl]-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-isoquinolin-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... Authors: Friberg, A, Nguyen, D. Deposit date: 2019-10-30 Release date: 2020-04-08 Last modified: 2020-06-03 Method: X-RAY DIFFRACTION (1.64 Å) Cite: Computationally Empowered Workflow Identifies Novel Covalent Allosteric Binders for KRASG12C. Chemmedchem, 15, 2020
5E96	Crystal structure of aminoglycoside 6'-acetyltransferase type Ii Descriptor: 1,2-ETHANEDIOL, Aminoglycoside 6'-acetyltransferase, PHOSPHATE ION Authors: Berghuis, A.M, Burk, D.L, Baettig, O.M, Shi, K. Deposit date: 2015-10-14 Release date: 2016-07-06 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Comprehensive characterization of ligand-induced plasticity changes in a dimeric enzyme. Febs J., 283, 2016
7QBZ	Crystal structure Cadmium translocating P-type ATPase Descriptor: Cadmium translocating P-type ATPase, MAGNESIUM ION, TETRAFLUOROALUMINATE ION Authors: Groenberg, C, Hu, Q, Wang, K, Gourdon, P. Deposit date: 2021-11-21 Release date: 2022-03-23 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (3.25 Å) Cite: Structure and ion-release mechanism of P IB-4 -type ATPases. Elife, 10, 2021
7QC0	Crystal structure of Cadmium translocating P-type ATPase Descriptor: BERYLLIUM TRIFLUORIDE ION, Cadmium translocating P-type ATPase, MAGNESIUM ION Authors: Groenberg, C, Hu, Q, Wang, K, Gourdon, P. Deposit date: 2021-11-21 Release date: 2022-03-23 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (3.11 Å) Cite: Structure and ion-release mechanism of P IB-4 -type ATPases. Elife, 10, 2021
6N8F	RNA Duplex containing the internal loop 5'-GCUU/3'-UUCG Descriptor: RNA (5'-R(*CP*GP*CP*AP*GP*CP*UP*UP*AP*CP*GP*C)-3'), RNA (5'-R(*GP*CP*GP*UP*GP*CP*UP*UP*UP*GP*CP*G)-3') Authors: Berger, K.D, Kennedy, S.D, Turner, D.H. Deposit date: 2018-11-29 Release date: 2019-02-13 Last modified: 2024-05-01 Method: SOLUTION NMR Cite: Nuclear Magnetic Resonance Reveals That GU Base Pairs Flanking Internal Loops Can Adopt Diverse Structures. Biochemistry, 58, 2019
7R60	BTK in complex with 18A Descriptor: 2-(4-phenoxyphenoxy)-5-[(3R)-1-(prop-2-enoyl)piperidin-3-yl]pyridine-3-carboxamide, Tyrosine-protein kinase BTK Authors: Gardberg, A. Deposit date: 2021-06-22 Release date: 2021-10-06 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.94 Å) Cite: Discovery of Covalent Bruton's Tyrosine Kinase Inhibitors with Decreased CYP2C8 Inhibitory Activity. Chemmedchem, 16, 2021
7R61	BTK in complex with 25A Descriptor: 5-{(3S)-1-[(Z)-iminomethyl]piperidin-3-yl}-2-(4-phenoxyphenoxy)pyridine-3-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK Authors: Gardberg, A. Deposit date: 2021-06-22 Release date: 2021-10-06 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.52 Å) Cite: Discovery of Covalent Bruton's Tyrosine Kinase Inhibitors with Decreased CYP2C8 Inhibitory Activity. Chemmedchem, 16, 2021
6N8H	RNA Duplex containing the internal loop 5'-GCAU/3'-UACG Descriptor: RNA (5'-R(*CP*GP*GP*GP*CP*AP*UP*CP*CP*G)-3') Authors: Berger, K.D, Kennedy, S.D, Turner, D.H. Deposit date: 2018-11-29 Release date: 2019-02-13 Last modified: 2024-05-01 Method: SOLUTION NMR Cite: Nuclear Magnetic Resonance Reveals That GU Base Pairs Flanking Internal Loops Can Adopt Diverse Structures. Biochemistry, 58, 2019
6N8I	RNA Duplex containing the internal loop 5'-UUCG/3'-GCUU Descriptor: RNA (5'-R(*CP*GP*CP*AP*UP*UP*CP*GP*AP*CP*GP*C)-3'), RNA (5'-R(*GP*CP*GP*UP*UP*UP*CP*GP*UP*GP*CP*G)-3') Authors: Berger, K.D, Kennedy, S.D, Turner, D.H. Deposit date: 2018-11-29 Release date: 2019-02-13 Last modified: 2024-05-01 Method: SOLUTION NMR Cite: Nuclear Magnetic Resonance Reveals That GU Base Pairs Flanking Internal Loops Can Adopt Diverse Structures. Biochemistry, 58, 2019
5A89	Crystal structure of the riboflavin kinase module of FAD synthetase from Corynebacterium ammoniagenes in complex with FMN and ADP(P 21 21 21) Descriptor: ACETIC ACID, ADENOSINE-5'-DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, ... Authors: Herguedas, B, Martinez-Julvez, M, Hermoso, J.A, Medina, M. Deposit date: 2015-07-13 Release date: 2015-12-09 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Structural Insights Into the Synthesis of Fmn in Prokaryotic Organisms. Acta Crystallogr.,Sect.D, 71, 2015
5ABA	Structure of the p53 cancer mutant Y220C with bound small-molecule stabilizer PhiKan5149 Descriptor: 1-{1-[(3-bromo-5-chloro-2-hydroxyphenyl)methyl piperidin-4-yl}piperidin-4-ol], CELLULAR TUMOR ANTIGEN P53, ZINC ION Authors: Joerger, A.C. Deposit date: 2015-08-04 Release date: 2015-12-16 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.62 Å) Cite: Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant P53. Structure, 23, 2015
5A88	Crystal structure of the riboflavin kinase module of FAD synthetase from Corynebacterium ammoniagenes in complex with ADP Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, GLYCEROL, ... Authors: Herguedas, B, Martinez-Julvez, M, Hermoso, J.A, Medina, M. Deposit date: 2015-07-13 Release date: 2015-12-09 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.08 Å) Cite: Structural Insights Into the Synthesis of Fmn in Prokaryotic Organisms. Acta Crystallogr.,Sect.D, 71, 2015
6I5X	Crystal structure of Aspergillus fumigatus phosphomannomutase Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... Authors: Zhang, Y, Raimi, O.G, Ferenbach, A.T, van Aalten, D.M.F. Deposit date: 2018-11-15 Release date: 2019-11-27 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystal structure of Aspergillus fumigatus phosphomannomutase To Be Published
5AOI	Structure of the p53 cancer mutant Y220C in complex with an indole- based small molecule Descriptor: 2-(5-BROMO-7-ETHYL-2-METHYL-1H-INDOLE-3-YL)ETHAN-1-AMIN, CELLULAR TUMOR ANTIGEN P53, DI(HYDROXYETHYL)ETHER, ... Authors: Joerger, A.C, Wilcken, R. Deposit date: 2015-09-10 Release date: 2015-12-16 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.78 Å) Cite: Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant P53. Structure, 23, 2015
5AB9	Structure of the p53 cancer mutant Y220C with bound small molecule 7- ethyl-3-(piperidin-4-yl)-1H-indole Descriptor: 7-ethyl-3-(piperidin-4-yl)-1H-indole, CELLULAR TUMOR ANTIGEN P53, DI(HYDROXYETHYL)ETHER, ... Authors: Joerger, A.C. Deposit date: 2015-08-04 Release date: 2015-12-16 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.36 Å) Cite: Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant P53. Structure, 23, 2015
5A4J	Crystal structure of FTHFS1 from T.acetoxydans Re1 Descriptor: 1,2-ETHANEDIOL, ACETATE ION, D(-)-TARTARIC ACID, ... Authors: Bergdahl, R, Jacobson, F, Muller, B, Mikkelsen, N, Schurer, A, Sandgren, M. Deposit date: 2015-06-10 Release date: 2016-07-06 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Characterization, Crystallization and Three- Dimensional Structures of Formyltetrahydrofolate Synthetase (Fthfs) from the Syntrophic Acetate Oxidising Bacterium Tepidanaerobacter Acetatoxydans Re1 To be Published

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