6QQG
 
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6GD2
 | | Structure of HuR RRM3 in complex with RNA | | Descriptor: | ELAV-like protein 1, RNA (5'-R(P*UP*UP*UP*AP*UP*UP*U)-3') | | Authors: | Pabis, M, Sattler, M. | | Deposit date: | 2018-04-21 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | HuR biological function involves RRM3-mediated dimerization and RNA binding by all three RRMs.
Nucleic Acids Res., 47, 2019
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6GD7
 | | Cytochrome c in complex with Sulfonato-calix[8]arene, H3 form with PEG | | Descriptor: | Cytochrome c iso-1, GLYCEROL, HEME C, ... | | Authors: | Rennie, M.L, Fox, G.C, Crowley, P.B. | | Deposit date: | 2018-04-23 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Auto-regulated Protein Assembly on a Supramolecular Scaffold.
Angew. Chem. Int. Ed. Engl., 57, 2018
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4Z2X
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6G8X
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7RJ8
 | | CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-(DIFLUOROM ETHOXY)-4-(1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, ... | | Authors: | Pokross, M, Muckelbauer, J. | | Deposit date: | 2021-07-20 | | Release date: | 2022-02-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Bicyclic Heterocyclic Replacement of an Aryl Amide Leading to Potent and Kinase-Selective Adaptor Protein 2-Associated Kinase 1 Inhibitors.
J.Med.Chem., 65, 2022
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4NXC
 | | SPERM WHALE MYOGLOBIN UNDER 30 BAR NITROUS Oxide | | Descriptor: | Myoglobin, NITROUS OXIDE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Colloc'h, N, Prange, T, Vallone, B. | | Deposit date: | 2013-12-09 | | Release date: | 2014-09-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystallographic Studies with Xenon and Nitrous Oxide Provide Evidence for Protein-dependent Processes in the Mechanisms of General Anesthesia
Anesthesiology, 121, 2014
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6FN5
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7RJ6
 | | CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-(DIFLUOROM ETHOXY)-4-(1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE | | Descriptor: | (1S)-1-[4-ethyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine, 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, ... | | Authors: | Muckelbauer, J. | | Deposit date: | 2021-07-20 | | Release date: | 2022-02-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.132 Å) | | Cite: | Bicyclic Heterocyclic Replacement of an Aryl Amide Leading to Potent and Kinase-Selective Adaptor Protein 2-Associated Kinase 1 Inhibitors.
J.Med.Chem., 65, 2022
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7RJ7
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4O2G
 | | Crystal structure of carbomonoxy murine neuroglobin mutant V140W | | Descriptor: | CARBON MONOXIDE, Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Avella, G, Savino, C, Vallone, B. | | Deposit date: | 2013-12-17 | | Release date: | 2014-06-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Engineering the internal cavity of neuroglobin demonstrates the role of the haem-sliding mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
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4O2L
 | | Structure of Mus musculus Rheb G63A mutant bound to GTP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GTP-binding protein Rheb, ... | | Authors: | Mazhab-Jafari, M.T, Marshall, C.B, Ho, J, Ishiyama, N, Stambolic, V, Ikura, M. | | Deposit date: | 2013-12-17 | | Release date: | 2014-03-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-guided mutation of the conserved G3-box glycine in Rheb generates a constitutively activated regulator of mammalian target of rapamycin (mTOR).
J.Biol.Chem., 289, 2014
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5T8W
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4O32
 | | Structure of a malarial protein | | Descriptor: | CHLORIDE ION, Thioredoxin | | Authors: | Egea, P.F, Koehl, A, Peng, M, Cascio, D. | | Deposit date: | 2013-12-17 | | Release date: | 2014-12-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.196 Å) | | Cite: | Crystal structure and solution characterization of the thioredoxin-2 from Plasmodium falciparum, a constituent of an essential parasitic protein export complex.
Biochem.Biophys.Res.Commun., 456, 2015
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8XS3
 | | Structure of MPXV B6 and D68 fab complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, D68_heavy chain, ... | | Authors: | wu, L.L, Sun, J.Q. | | Deposit date: | 2024-01-08 | | Release date: | 2024-06-12 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.46 Å) | | Cite: | Two noncompeting human neutralizing antibodies targeting MPXV B6 show protective effects against orthopoxvirus infections.
Nat Commun, 15, 2024
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6QWX
 | | HEWL lysozyme, crystallized from NiCl2 solution | | Descriptor: | CHLORIDE ION, Lysozyme C, NICKEL (II) ION | | Authors: | Boikova, A.S, Dorovatovskii, P.V, Dyakova, Y.A, Ilina, K.B, Kuranova, I.P, Lazarenko, V.A, Marchenkova, M.A, Pisarevsky, Y.V, Timofeev, V.I, Kovalchuk, M.V. | | Deposit date: | 2019-03-06 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | HEWL lysozyme, crystallized from different chlorides
To Be Published
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4O21
 | | Product complex of metal-free PKAc, ATP-gamma-S and SP20. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Thio-phosphorylated peptide pSP20, cAMP-dependent protein kinase catalytic subunit alpha | | Authors: | Das, A, Kovalevsky, A.Y, Gerlits, O, Langan, P, Heller, W.T, Keshwani, M, Taylor, S. | | Deposit date: | 2013-12-16 | | Release date: | 2014-05-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer.
Biochemistry, 53, 2014
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4O38
 | | Crystal structure of the human cyclin G associated kinase (GAK) | | Descriptor: | Cyclin-G-associated kinase, GLYCEROL, SUCCINIC ACID | | Authors: | Zhang, R, Hatzos-Skintges, C, Weger, A, Chaikuad, A, Eswaran, J, Fedorov, O, King, O, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structural Genomics Consortium (SGC) | | Deposit date: | 2013-12-18 | | Release date: | 2014-01-01 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.097 Å) | | Cite: | Crystal structure of the human cyclin G associated kinase (GAK)
To be Published
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7Q8W
 | | Crystal structure of TTBK1 in complex with VNG1.35 (compound 23) | | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, Tau-tubulin kinase 1, ... | | Authors: | Chaikuad, A, Nozal, V, Martinez, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-11-11 | | Release date: | 2022-03-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | TDP-43 Modulation by Tau-Tubulin Kinase 1 Inhibitors: A New Avenue for Future Amyotrophic Lateral Sclerosis Therapy.
J.Med.Chem., 65, 2022
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4O4P
 | | Structure of P450 BM3 A82F F87V in complex with S-omeprazol | | Descriptor: | 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole, Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Leys, D. | | Deposit date: | 2013-12-19 | | Release date: | 2014-01-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Human P450-like oxidation of diverse proton pump inhibitor drugs by 'gatekeeper' mutants of flavocytochrome P450 BM3.
Biochem.J., 460, 2014
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7Q90
 | | Crystal structure of TTBK2 in complex with VNG1.63 (compound 32) | | Descriptor: | PHOSPHATE ION, Tau-tubulin kinase 2, ~{N}-[4-(4-methoxyphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine | | Authors: | Chaikuad, A, Nozal, V, Martinez, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-11-11 | | Release date: | 2022-03-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | TDP-43 Modulation by Tau-Tubulin Kinase 1 Inhibitors: A New Avenue for Future Amyotrophic Lateral Sclerosis Therapy.
J.Med.Chem., 65, 2022
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6FUJ
 | | Complement factor D in complex with the inhibitor N-(3'-(aminomethyl)-[1,1'-biphenyl]-3-yl)-3-methylbutanamide | | Descriptor: | Complement factor D, ~{N}-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-butanamide | | Authors: | Mac Sweeney, A, Ostermann, N, Vulpetti, A, Maibaum, J, Erbel, P, Lorthiois, E, Yoon, T, Randl, S, Ruedisser, S. | | Deposit date: | 2018-02-27 | | Release date: | 2018-06-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D.
ACS Med Chem Lett, 9, 2018
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6SCV
 | | Endothiapepsin in complex with ligand 69 | | Descriptor: | Endothiapepsin, GLYCEROL, [(~{R})-cyclohexyl-[1-(2-phenylethyl)-1,2,3,4-tetrazol-5-yl]methyl]diazane | | Authors: | Magari, F, Heine, A, Klebe, G. | | Deposit date: | 2019-07-25 | | Release date: | 2020-08-26 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Endothiapepsin in complex with ligand 69
To Be Published
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6SIM
 | | SAD structure of Hen Egg White Lysozyme recovered by inverse beam geometry data collection and univariate analysis | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Garcia-Bonete, M.J, Katona, G. | | Deposit date: | 2019-08-10 | | Release date: | 2019-11-06 | | Last modified: | 2019-11-13 | | Method: | X-RAY DIFFRACTION (1.61018026 Å) | | Cite: | Bayesian machine learning improves single-wavelength anomalous diffraction phasing.
Acta Crystallogr.,Sect.A, 75, 2019
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7QIM
 | | In situ structure of nebulin bound to actin filament in skeletal sarcomere | | Descriptor: | ACTS protein, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Wang, Z, Grange, M, Pospich, S, Wagner, T, Kho, A.L, Gautel, M, Raunser, S. | | Deposit date: | 2021-12-15 | | Release date: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Structures from intact myofibrils reveal mechanism of thin filament regulation through nebulin.
Science, 375, 2022
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