6EAJ
 
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8QD2
 | | Ayg1p in complex with 1,3-Dihydroxynaphthalene | | Descriptor: | Pigment biosynthesis protein yellowish-green 1, naphthalene-1,3-diol | | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | | Deposit date: | 2023-08-28 | | Release date: | 2024-03-13 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 11, 2024
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8QD1
 | | Ayg1p from A. fumigatus catalyzes polyketide shortening in the biosynthesis of DHN-melanin | | Descriptor: | Pigment biosynthesis protein yellowish-green 1 | | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | | Deposit date: | 2023-08-28 | | Release date: | 2024-03-13 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 11, 2024
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6EK8
 | | YaxB from Yersinia enterocolitica | | Descriptor: | YaxB | | Authors: | Braeuning, B, Groll, M. | | Deposit date: | 2017-09-25 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Structure and mechanism of the two-component alpha-helical pore-forming toxin YaxAB.
Nat Commun, 9, 2018
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8QD4
 | | Ayg1p active site converted to tetrahedral sulfonate ester | | Descriptor: | Pigment biosynthesis protein yellowish-green 1, phenylmethanesulfonic acid | | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | | Deposit date: | 2023-08-28 | | Release date: | 2024-03-13 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 11, 2024
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6ERF
 | | Complex of APLF factor and Ku heterodimer bound to DNA | | Descriptor: | Aprataxin and PNK-like factor, DNA (34-MER), DNA (5'-D(*GP*TP*TP*TP*TP*TP*AP*GP*TP*TP*TP*AP*TP*TP*GP*GP*GP*CP*GP*CP*G)-3'), ... | | Authors: | Nemoz, C, Legrand, P, Ropars, V, Charbonnier, J.B. | | Deposit date: | 2017-10-18 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | XLF and APLF bind Ku80 at two remote sites to ensure DNA repair by non-homologous end joining.
Nat.Struct.Mol.Biol., 25, 2018
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6E4J
 | | Solution NMR Structure of Protein PF2048.1 | | Descriptor: | Uncharacterized protein PF2048.1 | | Authors: | Daigham, N.S, Liu, G, Swapna, G.V.T, Cole, C, Valafar, H, Montelione, G.T. | | Deposit date: | 2018-07-17 | | Release date: | 2018-08-15 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | REDCRAFT: A Computational Platform Using Residual Dipolar Coupling NMR Data for Determining Structures of Perdeuterated Proteins Without NOEs
To Be Published
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8QD3
 | | Ayg1p in complex with 1,3,6,8-Tetrahydroxynaphthalene | | Descriptor: | 1,2-ETHANEDIOL, FLAVIOLIN, Pigment biosynthesis protein yellowish-green 1, ... | | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | | Deposit date: | 2023-08-28 | | Release date: | 2024-03-13 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 11, 2024
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8QMI
 | | Crystal structure of RNA G2C4 repeats - native model | | Descriptor: | MAGNESIUM ION, RNA (5'-R(*GP*GP*CP*CP*CP*C)-3') | | Authors: | Blaszczyk, L, Kiliszek, A. | | Deposit date: | 2023-09-22 | | Release date: | 2024-05-01 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Antisense RNA C9orf72 hexanucleotide repeat associated with amyotrophic lateral sclerosis and frontotemporal dementia forms a triplex-like structure and binds small synthetic ligand.
Nucleic Acids Res., 52, 2024
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6EW9
 | | CRYSTAL STRUCTURE OF DEGS STRESS SENSOR PROTEASE IN COMPLEX WITH ACTIVATING DNRLGLVYQF PEPTIDE | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, DNRLGLVYQF PEPTIDE, ... | | Authors: | Vetter, I.R, Porfetye, A.T, Stege, P. | | Deposit date: | 2017-11-03 | | Release date: | 2018-04-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Identification of Noncatalytic Lysine Residues from Allosteric Circuits via Covalent Probes.
ACS Chem. Biol., 13, 2018
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6EY2
 | | Crystal structure of XIAP-BIR3 in complex with a cIAP1-selective SM | | Descriptor: | (3~{S},6~{S},7~{S},9~{a}~{S})-~{N}-[(4-~{tert}-butylphenyl)methyl]-7-(hydroxymethyl)-6-[[(2~{S})-2-(methylamino)butanoyl]amino]-5-oxidanylidene-1,2,3,6,7,8,9,9~{a}-octahydropyrrolo[1,2-a]azepine-3-carboxamide, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Cossu, F, Corti, A, Milani, M, Mastrangelo, E. | | Deposit date: | 2017-11-10 | | Release date: | 2018-08-08 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-based design and molecular profiling of Smac-mimetics selective for cellular IAPs.
FEBS J., 285, 2018
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6F3P
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6EY9
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8QMH
 | | Crystal structure of RNA G2C4 repeats in complex with small synthetic molecule ANP77 | | Descriptor: | 3-(7-azanyl-1,8-naphthyridin-2-yl)-2-[(7-azanyl-1,8-naphthyridin-2-yl)methyl]-~{N}-(3-azanylpropyl)propanamide, CHLORIDE ION, RNA (5'-R(*GP*GP*CP*CP*CP*C)-3') | | Authors: | Kiliszek, A, Ryczek, M, Blaszczyk, L. | | Deposit date: | 2023-09-22 | | Release date: | 2024-05-01 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Antisense RNA C9orf72 hexanucleotide repeat associated with amyotrophic lateral sclerosis and frontotemporal dementia forms a triplex-like structure and binds small synthetic ligand.
Nucleic Acids Res., 52, 2024
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6FDG
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6F3Q
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6F6C
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8QWP
 | | Structure of p53 cancer mutant Y236C | | Descriptor: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, L(+)-TARTARIC ACID, ... | | Authors: | Balourdas, D.I, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-10-19 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of p53 inactivation by cavity-creating cancer mutations and its implications for the development of mutant p53 reactivators.
Cell Death Dis, 15, 2024
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8QQI
 | | E.coli DNA gyrase in complex with 217 bp substrate DNA and LEI-800 | | Descriptor: | DNA gyrase subunit A, DNA gyrase subunit B, MAGNESIUM ION, ... | | Authors: | Ghilarov, D, Martin, N.I, van der Stelt, M. | | Deposit date: | 2023-10-04 | | Release date: | 2024-06-19 | | Last modified: | 2024-09-18 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Discovery of isoquinoline sulfonamides as allosteric gyrase inhibitors with activity against fluoroquinolone-resistant bacteria.
Nat.Chem., 16, 2024
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6FER
 | | Crystal Structure of human DDR2 kinase in complex with 2-[4,5-difluoro-2-oxo-1'-(1H-pyrazolo[3,4-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide | | Descriptor: | 2-[4,5-bis(fluoranyl)-2-oxidanylidene-1'-(1~{H}-pyrazolo[3,4-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide, Discoidin domain-containing receptor 2 | | Authors: | Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. | | Deposit date: | 2018-01-03 | | Release date: | 2018-11-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
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6EX0
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6EY8
 | | Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation | | Descriptor: | DIMETHYL SULFOXIDE, Heat shock protein HSP 90-alpha, SULFATE ION, ... | | Authors: | Musil, D, Lehmann, M, Buchstaller, H.-P. | | Deposit date: | 2017-11-11 | | Release date: | 2018-05-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
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6F9G
 | | Ligand binding domain of P. putida KT2440 polyamine chemorecpetors McpU in complex putrescine. | | Descriptor: | 1,4-DIAMINOBUTANE, ACETATE ION, GLYCEROL, ... | | Authors: | Gavira, J.A, Conejero-Muriel, M.T, Ortega, A, Martin-Mora, D, Corral-Lugo, A, Morel, B, Krell, T. | | Deposit date: | 2017-12-14 | | Release date: | 2018-03-28 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.388 Å) | | Cite: | Structural Basis for Polyamine Binding at the dCACHE Domain of the McpU Chemoreceptor from Pseudomonas putida.
J. Mol. Biol., 430, 2018
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8QWM
 | | Structure of p53 cancer mutant Y205C | | Descriptor: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, L(+)-TARTARIC ACID, ... | | Authors: | Balourdas, D.I, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-10-19 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structural basis of p53 inactivation by cavity-creating cancer mutations and its implications for the development of mutant p53 reactivators.
Cell Death Dis, 15, 2024
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6F1X
 | | Complex between MTH1 and compound 7 (a 7-azaindole-2-amide derivative) | | Descriptor: | 4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | | Authors: | Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | | Deposit date: | 2017-11-23 | | Release date: | 2018-03-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
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