7KWH
| Spermidine N-acetyltransferase SpeG K23-Y30 chimera from Vibrio cholerae and hSSAT | Descriptor: | PHOSPHATE ION, Spermidine N(1)-acetyltransferase | Authors: | Le, V.T.B, Tsimbalyuk, S, Lim, E.Q, Solis, A, Gawat, D, Boeck, P, Renolo, R, Forwood, J.K. | Deposit date: | 2020-12-01 | Release date: | 2020-12-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The Vibrio cholerae SpeG Spermidine/Spermine N -Acetyltransferase Allosteric Loop and beta 6-beta 7 Structural Elements Are Critical for Kinetic Activity. Front Mol Biosci, 8, 2021
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6TNC
| X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 46 | Descriptor: | CHLORIDE ION, Dual specificity protein kinase TTK, N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide | Authors: | Marquardt, T, Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. | Deposit date: | 2019-12-06 | Release date: | 2020-05-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase. J.Med.Chem., 63, 2020
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5E7T
| Structure of the tripod (BppUct-A-L) from the baseplate of bacteriophage Tuc2009 | Descriptor: | CALCIUM ION, Major structural protein 1, Minor structural protein 4, ... | Authors: | Legrand, P, Collins, B, Blangy, S, Murphy, J, Spinelli, S, Gutierrez, C, Richet, N, Kellenberger, C, Desmyter, A, Mahony, J, van Sinderen, D, Cambillau, C. | Deposit date: | 2015-10-13 | Release date: | 2015-12-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The Atomic Structure of the Phage Tuc2009 Baseplate Tripod Suggests that Host Recognition Involves Two Different Carbohydrate Binding Modules. Mbio, 7, 2016
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5KXA
| Selective Inhibition of Autotaxin is Effective in Mouse Models of Liver Fibrosis | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[6-chloranyl-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoranyl-indol-3-yl]sulfanyl-2-fluoranyl-benzoic acid, CALCIUM ION, ... | Authors: | Stein, A.J, Bain, G, Hutchinson, J.H, Evans, J.F. | Deposit date: | 2016-07-20 | Release date: | 2016-11-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Selective Inhibition of Autotaxin Is Efficacious in Mouse Models of Liver Fibrosis. J. Pharmacol. Exp. Ther., 360, 2017
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8OSJ
| Cryo-EM structure of CLOCK-BMAL1 bound to a nucleosomal E-box at position SHL-6.2 (DNA conformation 1) | Descriptor: | Basic helix-loop-helix ARNT-like protein 1, Circadian locomoter output cycles protein kaput, DNA (124-MER), ... | Authors: | Michael, A.K, Stoos, L, Kempf, G, Cavadini, S, Thoma, N.H. | Deposit date: | 2023-04-19 | Release date: | 2023-05-24 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (6.2 Å) | Cite: | Cooperation between bHLH transcription factors and histones for DNA access. Nature, 619, 2023
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6TOP
| Structure of the PorE C-terminal domain, a protein of T9SS from Porphyromonas gingivalis | Descriptor: | GLCNAC(BETA1-4)-MURNAC(1,6-ANHYDRO)-L-ALA-GAMMA-D-GLU-MESO-A2PM-D-ALA, OmpA family protein, SODIUM ION | Authors: | Trinh, T.N, Cambillau, C, Roussel, A, Leone, P. | Deposit date: | 2019-12-11 | Release date: | 2020-06-17 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal structure of Type IX secretion system PorE C-terminal domain from Porphyromonas gingivalis in complex with a peptidoglycan fragment. Sci Rep, 10, 2020
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5N4R
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5KT4
| Teranry complex of human DNA polymerase iota R96G inserting dCMPNPP opposite template G in the presence of Mg2+ | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*CP*TP*GP*GP*GP*GP*TP*CP*CP*T)-3'), DNA (5'-D(P*AP*GP*GP*AP*CP*CP*C)-3'), ... | Authors: | Choi, J.Y, Patra, A, Yeom, M, Lee, Y.S, Zhang, Q, Egli, M, Guengerich, F.P. | Deposit date: | 2016-07-11 | Release date: | 2016-08-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Kinetic and Structural Impact of Metal Ions and Genetic Variations on Human DNA Polymerase iota. J.Biol.Chem., 291, 2016
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5HB7
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5N5S
| Crystal structure of aldehyde dehydrogenase 21 (ALDH21) from Physcomitrella patens in complex with NADP+ | Descriptor: | 1,2-ETHANEDIOL, Aldehyde dehydrogenase 21 (ALDH21), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Kopecny, D, Vigouroux, A, Briozzo, P, Morera, S. | Deposit date: | 2017-02-14 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The ALDH21 gene found in lower plants and some vascular plants codes for a NADP(+) -dependent succinic semialdehyde dehydrogenase. Plant J., 92, 2017
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6TPI
| EnvC bound to the FtsX periplasmic domain | Descriptor: | Cell division protein FtsX, Murein hydrolase activator EnvC | Authors: | Crow, A. | Deposit date: | 2019-12-13 | Release date: | 2020-11-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Insights into bacterial cell division from a structure of EnvC bound to the FtsX periplasmic domain. Proc.Natl.Acad.Sci.USA, 117, 2020
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3GTV
| Human-mouse SOD1 chimera | Descriptor: | Superoxide dismutase [Cu-Zn], ZINC ION | Authors: | Seetharaman, S.V, Taylor, A.B, Hart, P.J. | Deposit date: | 2009-03-28 | Release date: | 2010-09-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of mouse SOD1 and human/mouse SOD1 chimeras. Arch.Biochem.Biophys., 503, 2010
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5N7E
| Crystal structure of the Dbl-homology domain of Bcr-Abl in complex with monobody Mb(Bcr-DH_4). | Descriptor: | Breakpoint cluster region protein, Mb(Bcr-DH_4) | Authors: | Reckel, S, Reynaud, A, Pojer, F, Hantschel, O. | Deposit date: | 2017-02-20 | Release date: | 2017-12-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.647 Å) | Cite: | Structural and functional dissection of the DH and PH domains of oncogenic Bcr-Abl tyrosine kinase. Nat Commun, 8, 2017
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6FPT
| Crystal structure of Danio rerio Lin41 filamin-NHL domains | Descriptor: | E3 ubiquitin-protein ligase TRIM71 | Authors: | Kumari, P, Aeschimann, F, Gaidatzis, D, Keusch, J.J, Ghosh, P, Neagu, A, Pachulska-Wieczorek, K, Bujnicki, J.M, Gut, H, Grosshans, H, Ciosk, R. | Deposit date: | 2018-02-12 | Release date: | 2018-05-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Evolutionary plasticity of the NHL domain underlies distinct solutions to RNA recognition. Nat Commun, 9, 2018
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6GBP
| Crystal Structure of the oligomerization domain of VP35 from Ebola virus, mercury derivative | Descriptor: | MERCURY (II) ION, Polymerase cofactor VP35 | Authors: | Zinzula, L, Nagy, I, Orsini, M, Weyher-Stingl, E, Baumeister, W, Bracher, A. | Deposit date: | 2018-04-16 | Release date: | 2018-10-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.49 Å) | Cite: | Structures of Ebola and Reston Virus VP35 Oligomerization Domains and Comparative Biophysical Characterization in All Ebolavirus Species. Structure, 27, 2019
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4XOU
| Crystal structure of the SR Ca2+-ATPase in the Ca2-E1-MgAMPPCP form determined by serial femtosecond crystallography using an X-ray free-electron laser. | Descriptor: | CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ... | Authors: | Bublitz, M, Nass, K, Drachmann, N.D, Markvardsen, A.J, Gutmann, M.J, Barends, T.R.M, Mattle, D, Shoeman, R.L, Doak, R.B, Boutet, S, Messerschmidt, M, Seibert, M.M, Williams, G.J, Foucar, L, Reinhard, L, Sitsel, O, Gregersen, J.L, Clausen, J.D, Boesen, T, Gotfryd, K, Wang, K.-T, Olesen, C, Moller, J.V, Nissen, P, Schlichting, I. | Deposit date: | 2015-01-16 | Release date: | 2015-06-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural studies of P-type ATPase-ligand complexes using an X-ray free-electron laser. Iucrj, 2, 2015
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7KOK
| The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder496 inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[(E)-(hydroxyimino)methyl]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide, ACETATE ION, ... | Authors: | Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-11-09 | Release date: | 2020-11-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder496 to be published
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6J7P
| Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant E146Q co-expressed with TakA from Mycobacterium tuberculosis | Descriptor: | MAGNESIUM ION, guanylyltransferase-like toxin | Authors: | Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S. | Deposit date: | 2019-01-18 | Release date: | 2020-05-13 | Last modified: | 2020-05-20 | Method: | X-RAY DIFFRACTION (2.629 Å) | Cite: | Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism. Commun Biol, 3, 2020
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4O65
| Crystal structure of the cupredoxin domain of amoB from Nitrosocaldus yellowstonii | Descriptor: | COPPER (II) ION, Putative archaeal ammonia monooxygenase subunit B, SULFATE ION | Authors: | Lawton, T.J, Ham, J, Sun, T, Rosenzweig, A.C. | Deposit date: | 2013-12-20 | Release date: | 2014-04-02 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.796 Å) | Cite: | Structural conservation of the B subunit in the ammonia monooxygenase/particulate methane monooxygenase superfamily. Proteins, 82, 2014
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5L1A
| Crystal structure of uncharacterized protein LPG2271 from Legionella pneumophila | Descriptor: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Uncharacterized protein | Authors: | Chang, C, Xu, X, Cui, H, Yim, V, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2016-07-28 | Release date: | 2016-08-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of uncharacterized protein LPG2271 from Legionella pneumophila To Be Published
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6CVC
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4NYK
| Structure of a membrane protein | Descriptor: | Acid-sensing ion channel 1, CHLORIDE ION | Authors: | Baconguis, I, Bohlen, C.J, Goehring, A, Julius, D, Gouaux, E. | Deposit date: | 2013-12-10 | Release date: | 2014-02-12 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Pore architecture and ion sites in acid-sensing ion channels and P2X receptors. Nature, 460, 2009
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4XA1
| Crystal Structure of the coiled-coil surrounding Skip 1 of MYH7 | Descriptor: | Gp7-MYH7(1173-1238)-EB1 chimera protein | Authors: | Taylor, K.C, Buvoli, M, Korkmaz, E.N, Buvoli, A, Zheng, Y, Heinz, N.T, Qiang, C, Leinwand, L.A, Rayment, I. | Deposit date: | 2014-12-12 | Release date: | 2015-07-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Skip residues modulate the structural properties of the myosin rod and guide thick filament assembly. Proc.Natl.Acad.Sci.USA, 112, 2015
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6T4P
| Human Carbonic anhydrase II bound by napthalene-1-sulfonamide | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, SODIUM ION, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2019-10-14 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle. Biophys.J., 119, 2020
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5L2I
| The X-ray co-crystal structure of human CDK6 and Palbociclib. | Descriptor: | 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, Cyclin-dependent kinase 6 | Authors: | Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A. | Deposit date: | 2016-08-01 | Release date: | 2016-08-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance. Mol.Cancer Ther., 15, 2016
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