3NX7
| Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor N-Hydroxy-2-(N-(2-hydroxyethyl)4-methoxyphenylsulfonamido)acetamide | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-hydroxy-N~2~-(2-hydroxyethyl)-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide, ... | Authors: | Bertini, I, Calderone, V, Fragai, M, Giachetti, A, Loconte, M, Luchinat, C, Maletta, M, Nativi, C, Yeo, K.J. | Deposit date: | 2010-07-13 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases J.Am.Chem.Soc., 129, 2007
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4BYY
| Apo GlxR | Descriptor: | GLYCEROL, PHOSPHATE ION, TRANSCRIPTIONAL REGULATOR, ... | Authors: | Pohl, E, Cann, M.J, Townsend, P.D, Money, V.A. | Deposit date: | 2013-07-21 | Release date: | 2014-07-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | The Crystal Structures of Apo and Camp-Bound Glxr from Corynebacterium Glutamicum Reveal Structural and Dynamic Changes Upon Camp Binding in Crp/Fnr Family Transcription Factors. Plos One, 9, 2014
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4K7O
| HUMAN PEROXIREDOXIN 5 with a fragment | Descriptor: | 4-tert-butylbenzene-1,2-diol, DIMETHYL SULFOXIDE, Peroxiredoxin-5, ... | Authors: | Guichou, J.F. | Deposit date: | 2013-04-17 | Release date: | 2014-04-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Comparing Binding Modes of Analogous Fragments Using NMR in Fragment-Based Drug Design: Application to PRDX5 Plos One, 9, 2014
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4BUS
| Crystal structure of human tankyrase 2 in complex with 2-(4-(4-oxo-3, 4-dihydroquinazolin-2-yl)phenoxy)acetic acid | Descriptor: | 2-[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenoxy]ethanoic acid, GLYCEROL, SULFATE ION, ... | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | Deposit date: | 2013-06-24 | Release date: | 2013-10-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors. Chemmedchem, 8, 2013
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4BUF
| Crystal structure of human tankyrase 2 in complex with 2-(4- acetylphenyl)-3,4-dihydroquinazolin-4-one | Descriptor: | 2-(4-acetylphenyl)-3,4-dihydroquinazolin-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | Deposit date: | 2013-06-20 | Release date: | 2013-10-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors. Chemmedchem, 8, 2013
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4BOR
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4BSO
| Crystal structure of R-spondin 1 (Fu1Fu2) - Native | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, R-SPONDIN-1 | Authors: | Peng, W.C, de Lau, W, Forneris, F, Granneman, J.C.M, Huch, M, Clevers, H, Gros, P. | Deposit date: | 2013-06-11 | Release date: | 2013-06-19 | Last modified: | 2013-07-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of Stem Cell Growth Factor R-Spondin 1 in Complex with the Ectodomain of its Receptor Lgr5. Cell Rep., 3, 2013
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7SQ2
| Reprocessed and refined structure of Phospholipase C-beta and Gq signaling complex | Descriptor: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3, ACETATE ION, CALCIUM ION, ... | Authors: | Endo-Streeter, S.T, Sondek, J, Harden, T.K. | Deposit date: | 2021-11-04 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Kinetic Scaffolding Mediated by a Phospholipase C-{beta} and Gq Signaling Complex Science, 330, 2010
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4BST
| Structure of the ectodomain of LGR5 in complex with R-spondin-1 (Fu1Fu2) in P6122 crystal form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LEUCINE-RICH REPEAT-CONTAINING G-PROTEIN COUPLED RECEPTOR 5, R-SPONDIN-1, ... | Authors: | Peng, W.C, de Lau, W, Forneris, F, Granneman, J.C.M, Huch, M, Clevers, H, Gros, P. | Deposit date: | 2013-06-11 | Release date: | 2013-06-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (4.3 Å) | Cite: | Structure of Stem Cell Growth Factor R-Spondin 1 in Complex with the Ectodomain of its Receptor Lgr5. Cell Rep., 3, 2013
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4KM5
| X-ray crystal structure of human cyclic GMP-AMP synthase (cGAS) | Descriptor: | Cyclic GMP-AMP synthase, ZINC ION | Authors: | Kranzusch, P.J, Lee, A.S.Y, Berger, J.M, Doudna, J.A. | Deposit date: | 2013-05-08 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.499 Å) | Cite: | Structure of Human cGAS Reveals a Conserved Family of Second-Messenger Enzymes in Innate Immunity. Cell Rep, 3, 2013
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8RQ1
| Crystal structure of CRBN-midi | Descriptor: | Protein cereblon, ZINC ION | Authors: | Kroupova, A, Zollman, D, Ciulli, A. | Deposit date: | 2024-01-17 | Release date: | 2024-09-25 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Design of a Cereblon construct for crystallographic and biophysical studies of protein degraders To Be Published
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8RQ9
| Crystal structure of PROTAC CFT-1297 in complex with CRBN-midi and BRD4(BD2) | Descriptor: | (3~{S})-3-[7-[1-[7-[4-[6-(4-chlorophenyl)-1-methyl-spiro[[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-4,1'-cyclopropane]-8-yl]pyrazol-1-yl]heptyl]piperidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]piperidine-2,6-dione, Bromodomain-containing protein 4, Protein cereblon, ... | Authors: | Darren, D, Ramachandran, S, Kroupova, A, Zollman, D, Ciulli, A. | Deposit date: | 2024-01-17 | Release date: | 2024-09-25 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Design of a Cereblon construct for crystallographic and biophysical studies of protein degraders To Be Published
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8RQC
| Crystal structure of CRBN-midi in complex with mezigdomide and IKZF1 ZF2 | Descriptor: | DNA-binding protein Ikaros, Mezigdomide, Protein cereblon, ... | Authors: | Furihata, H, Kroupova, A, Zollman, D, Ciulli, A. | Deposit date: | 2024-01-17 | Release date: | 2024-09-25 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Design of a Cereblon construct for crystallographic and biophysical studies of protein degraders To Be Published
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7SZO
| Structure of a bacterial fimbrial tip containing FocH | Descriptor: | Chaperone protein FimC, FimF protein, FimG, ... | Authors: | Stenkamp, R.E, Le Trong, I, Aprikian, P, Sokurenko, E.V. | Deposit date: | 2021-11-29 | Release date: | 2021-12-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Recombinant FimH Adhesin Demonstrates How the Allosteric Catch Bond Mechanism Can Support Fast and Strong Bacterial Attachment in the Absence of Shear. J.Mol.Biol., 434, 2022
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8RQ8
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8RQA
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4BUA
| Crystal structure of human tankyrase 2 in complex with 2-(4-(methylsulfanyl)phenyl)-3,4-dihydroquinazolin-4-one | Descriptor: | 2-(4-methylsulfanylphenyl)-3H-quinazolin-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | Deposit date: | 2013-06-20 | Release date: | 2013-10-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors. Chemmedchem, 8, 2013
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7T71
| Crystal Structure of Mevalonate 3,5-Bisphosphate Decarboxylase from Picrophilus Torridus | Descriptor: | Mevalonate 3,5-bisphosphate decarboxylase, OLEIC ACID | Authors: | Vinokur, J.M, Sawaya, M.R, Cascio, D, Collazo, M, Bowie, J.U. | Deposit date: | 2021-12-14 | Release date: | 2021-12-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Crystal structure of mevalonate 3,5-bisphosphate decarboxylase reveals insight into the evolution of decarboxylases in the mevalonate metabolic pathways. J.Biol.Chem., 298, 2022
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8R8E
| DYRK1a in Complex with 2-Cyclopentyl-7-iodo-1H-indole-3-carbonitrile | Descriptor: | 1,2-ETHANEDIOL, 2-cyclopentyl-7-iodanyl-1~{H}-indole-3-carbonitrile, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Stahlecker, J, Dammann, M, Stehle, T, Boeckler, F.M. | Deposit date: | 2023-11-29 | Release date: | 2024-09-25 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Halogen Bonding on Water─A Drop in the Ocean? J Chem Theory Comput, 2024
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8RIU
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1D5L
| CRYSTAL STRUCTURE OF CYANIDE-BOUND HUMAN MYELOPEROXIDASE ISOFORM C AT PH 5.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | Authors: | Fiedler, T.J, Davey, C.A, Fenna, R.E. | Deposit date: | 1999-10-07 | Release date: | 2001-12-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Human myeloperoxidase: structure of a cyanide complex and its interaction with bromide and thiocyanate substrates at 1.9 A resolution. Biochemistry, 40, 2001
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7TE9
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1CXP
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7TES
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8T2H
| DYRK1A complex with DYR530 | Descriptor: | (4P)-4-{(3M)-3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-methyl-3H-imidazo[4,5-b]pyridin-5-yl}pyridin-2-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, GLYCEROL, ... | Authors: | Montfort, W.R, Basantes, L.E. | Deposit date: | 2023-06-06 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of DYR684, a Potent, Selective, Metabolically Stable, DYRK1A/B PROTAC utilizing a Novel Cereblon Molecular Glue To Be Published
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