6QHM
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![BU of 6qhm by Molmil](/molmil-images/mine/6qhm) | 14-3-3 sigma with RelA/p65 binding site pS281 | Descriptor: | 14-3-3 protein sigma, LEU-SEP-GLU | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2019-01-16 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Selectivity via Cooperativity: Preferential Stabilization of the p65/14-3-3 Interaction with Semisynthetic Natural Products. J.Am.Chem.Soc., 142, 2020
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6HX9
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![BU of 6hx9 by Molmil](/molmil-images/mine/6hx9) | Putrescine transaminase from Pseudomonas putida | Descriptor: | Aspartate aminotransferase family protein | Authors: | Gahloth, D. | Deposit date: | 2018-10-16 | Release date: | 2019-06-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Characterization of a Putrescine Transaminase FromPseudomonas putidaand its Application to the Synthesis of Benzylamine Derivatives. Front Bioeng Biotechnol, 6, 2018
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6BPC
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![BU of 6bpc by Molmil](/molmil-images/mine/6bpc) | Plasmodium vivax reticulocyte binding protein 2b (PvRBP2b) bound to monoclonal antibody 4F7 | Descriptor: | Monoclonal antibody 4F7 Fab heavy chain, Monoclonal antibody 4F7 Fab light chain, Reticulocyte binding protein 2, ... | Authors: | Gruszczyk, J, Chan, L.J, Tham, W.H. | Deposit date: | 2017-11-22 | Release date: | 2018-06-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Cryo-EM structure of an essential Plasmodium vivax invasion complex. Nature, 559, 2018
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6HXH
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![BU of 6hxh by Molmil](/molmil-images/mine/6hxh) | Structure of the human ATP citrate lyase holoenzyme in complex with citrate, coenzyme A and Mg.ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-citrate synthase,Human ATP citrate lyase, CITRATE ANION, ... | Authors: | Verstraete, K, Verschueren, K. | Deposit date: | 2018-10-17 | Release date: | 2019-04-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle. Nature, 568, 2019
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6FTE
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![BU of 6fte by Molmil](/molmil-images/mine/6fte) | Crystal structure of an (R)-selective amine transaminase from Exophiala xenobiotica | Descriptor: | ACETATE ION, Amine transaminase (fold IV), GLYCEROL, ... | Authors: | Telzerow, A, Hakansson, M, Schurrmann, M, Schwab, H, Steiner, K. | Deposit date: | 2018-02-21 | Release date: | 2019-01-09 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Amine Transaminase from Exophiala xenobiotica - Crystal Structure and Engineering of a Fold IV Transaminase that Naturally Converts Biaryl Ketones Acs Catalysis, 2018
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5VXL
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![BU of 5vxl by Molmil](/molmil-images/mine/5vxl) | 2.80 A resolution structure of IpaD from Shigella flexneri in complex with single-domain antibody JPS-G3 | Descriptor: | Invasin IpaD, single-domain antibody JPS-G3 | Authors: | Barta, M.L, Lovell, S, Battaile, K.P, Picking, W.D, Picking, W.L. | Deposit date: | 2017-05-23 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 2.80 A resolution structure of IpaD from Shigella flexneri in complex with single-domain antibody JPS-G3 To Be Published
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8SVP
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![BU of 8svp by Molmil](/molmil-images/mine/8svp) | Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-278 | Descriptor: | (1P)-N-(5-tert-butyl-2-{[(3R)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide | Authors: | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | Deposit date: | 2023-05-17 | Release date: | 2024-05-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.32 Å) | Cite: | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR. Nat Commun, 15, 2024
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8AIV
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![BU of 8aiv by Molmil](/molmil-images/mine/8aiv) | Mpro of SARS COV-2 in complex with the MG-100 inhibitor | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | Authors: | El Kilani, H, Hilgenfeld, R. | Deposit date: | 2022-07-27 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Main Protease SARS-COV-2 in complex with the inhibitor MG-100 To Be Published
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6HZF
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![BU of 6hzf by Molmil](/molmil-images/mine/6hzf) | BP0997, GH138 enzyme targeting pectin rhamnogalacturonan II | Descriptor: | BPa0997, SERINE, SODIUM ION | Authors: | Basle, A, Cartmell, A, Labourel, A, Gilbert, H. | Deposit date: | 2018-10-23 | Release date: | 2019-03-20 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and functional analyses of glycoside hydrolase 138 enzymes targeting chain A galacturonic acid in the complex pectin rhamnogalacturonan II. J.Biol.Chem., 294, 2019
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7QTA
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![BU of 7qta by Molmil](/molmil-images/mine/7qta) | S1 nuclease from Aspergillus oryzae in complex with uridine | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Nuclease S1, ... | Authors: | Adamkova, K, Koval, T, Kolenko, P, Oestergaard, L.H, Dohnalek, J. | Deposit date: | 2022-01-14 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Atomic resolution studies of S1 nuclease complexes reveal details of RNA interaction with the enzyme despite multiple lattice-translocation defects. Acta Crystallogr D Struct Biol, 78, 2022
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7K4X
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![BU of 7k4x by Molmil](/molmil-images/mine/7k4x) | Crystal structure of Kemp Eliminase HG3.7 in complex with the transition state analog 6-nitrobenzotriazole | Descriptor: | 6-NITROBENZOTRIAZOLE, ACETATE ION, Endo-1,4-beta-xylanase, ... | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | Deposit date: | 2020-09-16 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis. Science, 370, 2020
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5VY1
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![BU of 5vy1 by Molmil](/molmil-images/mine/5vy1) | Crystal structure of the extended Tudor domain from BmPAPI | Descriptor: | Tudor and KH domain-containing protein homolog | Authors: | Hubbard, P.A, Pan, X, McNally, R, Ohtaki, A, Honda, S, Kirino, Y, Murali, R. | Deposit date: | 2017-05-24 | Release date: | 2017-06-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structural studies of the Tudor domain from the Bombyx homolog of Drosophila PAPI: Implication to piRNA biogenesis To Be Published
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8SVU
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![BU of 8svu by Molmil](/molmil-images/mine/8svu) | Crystal structure of the L428V mutant of pregnane X receptor ligand binding domain in apo form | Descriptor: | GLYCEROL, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1 | Authors: | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | Deposit date: | 2023-05-17 | Release date: | 2024-05-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR. Nat Commun, 15, 2024
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6HW1
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![BU of 6hw1 by Molmil](/molmil-images/mine/6hw1) | ROOM TEMPERATURE STRUCTURE OF LIPASE FROM T. LANUGINOSA AT 2.5 A RESOLUTION IN CHIPX MICROFLUIDIC DEVICE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase, MAGNESIUM ION, ... | Authors: | Gavira, J.A, Fernadez-Penas, R, Martinez-Rodriguez, S, Verdugo-Escamilla, C. | Deposit date: | 2018-10-11 | Release date: | 2018-10-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography. Iucrj, 6, 2019
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6GDS
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![BU of 6gds by Molmil](/molmil-images/mine/6gds) | Holliday Junctions formed from Telomeric DNA | Descriptor: | Telomeric DNA (5' CTAACCCTAA) 10mer, Telomeric DNA (5'-TTAGGGTTAG)-3') 10mer | Authors: | Parkinson, G.N, Haider, S, Li, P, Khiali, S, Munnur, D, Ramanathan, A. | Deposit date: | 2018-04-24 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Holliday Junctions Formed from Human Telomeric DNA. J. Am. Chem. Soc., 140, 2018
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8ALI
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![BU of 8ali by Molmil](/molmil-images/mine/8ali) | |
5HHG
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![BU of 5hhg by Molmil](/molmil-images/mine/5hhg) | Mouse importin alpha: Dengue 2 NS5 C-terminal NLS peptide complex | Descriptor: | Importin subunit alpha-1, RNA-directed RNA polymerase NS5 | Authors: | Smith, K.M, Forwood, J.K. | Deposit date: | 2016-01-11 | Release date: | 2016-05-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The C-terminal 18 Amino Acid Region of Dengue Virus NS5 Regulates its Subcellular Localization and Contains a Conserved Arginine Residue Essential for Infectious Virus Production. PLoS Pathog., 12, 2016
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6GDX
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7K66
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![BU of 7k66 by Molmil](/molmil-images/mine/7k66) | Structure of Blood Coagulation Factor VIII in Complex with an Anti-C1 Domain Pathogenic Antibody Inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2A9 heavy chain, ... | Authors: | Childers, K.C, Gish, J, Jarvis, L, Peters, S, Garrels, C, Smith, I.W, Spencer, H.T, Spiegel, P.C. | Deposit date: | 2020-09-18 | Release date: | 2020-10-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.92 Å) | Cite: | Structure of blood coagulation factor VIII in complex with an anti-C1 domain pathogenic antibody inhibitor. Blood, 137, 2021
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6QLC
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![BU of 6qlc by Molmil](/molmil-images/mine/6qlc) | The ssDNA-binding RNA polymerase cofactor Drc from Pseudomonas phage LUZ7 | Descriptor: | PHOSPHATE ION, ssDNA binding RNA Polymerase cofactor | Authors: | De Zitter, E, Boon, M, De Smet, J, Lavigne, R, Van Meervelt, L. | Deposit date: | 2019-01-31 | Release date: | 2019-10-30 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 'Drc', a structurally novel ssDNA-binding transcription regulator of N4-related bacterial viruses. Nucleic Acids Res., 48, 2020
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6FUF
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![BU of 6fuf by Molmil](/molmil-images/mine/6fuf) | Crystal structure of the rhodopsin-mini-Go complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(o) subunit alpha, RETINAL, ... | Authors: | Tsai, C.-J, Weinert, T, Muehle, J, Pamula, F, Nehme, R, Flock, T, Nogly, P, Edwards, P.C, Carpenter, B, Gruhl, T, Ma, P, Deupi, X, Standfuss, J, Tate, C.G, Schertler, G.F.X. | Deposit date: | 2018-02-27 | Release date: | 2018-10-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.117 Å) | Cite: | Crystal structure of rhodopsin in complex with a mini-Gosheds light on the principles of G protein selectivity. Sci Adv, 4, 2018
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6BQL
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![BU of 6bql by Molmil](/molmil-images/mine/6bql) | Crystal Structure of the Human CAMKK2B in complex with TAE-226 | Descriptor: | 1,2-ETHANEDIOL, 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE, ACETATE ION, ... | Authors: | Counago, R.M, de Souza, G.P, dos Reis, C.V, Ramos, P.Z, Drewry, D, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | Deposit date: | 2017-11-28 | Release date: | 2017-12-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of the Human CAMKK2B in complex with TAE-226 To Be Published
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5VQA
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![BU of 5vqa by Molmil](/molmil-images/mine/5vqa) | Structure of human TRIP13, ATP-bound form | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Pachytene checkpoint protein 2 homolog | Authors: | Ye, Q, Corbett, K.D. | Deposit date: | 2017-05-08 | Release date: | 2017-06-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | The AAA+ ATPase TRIP13 remodels HORMA domains through N-terminal engagement and unfolding. EMBO J., 36, 2017
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6HTW
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![BU of 6htw by Molmil](/molmil-images/mine/6htw) | |
8AIU
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![BU of 8aiu by Molmil](/molmil-images/mine/8aiu) | Mpro of SARS COV-2 in complex with the MG-97 inhibitor | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | Authors: | El Kilani, H, Hilgenfeld, R. | Deposit date: | 2022-07-27 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Main Protease SARS-COV-2 in complex with the inhibitor MG-97 To Be Published
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