5MWC
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![BU of 5mwc by Molmil](/molmil-images/mine/5mwc) | Crystal structure of the genetically-encoded green calcium indicator NTnC in its calcium bound state | Descriptor: | CALCIUM ION, genetically-encoded green calcium indicator NTnC | Authors: | Boyko, K.M, Nikolaeva, A.Y, Korzhenevskiy, D.A, Rakitina, T.V, Popov, V.O, Subach, O.M, Barykina, N.V, Subach, F.V. | Deposit date: | 2017-01-18 | Release date: | 2018-02-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Enchanced variant of genetically-encoded green calcium indicator NTnC To Be Published
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5MWP
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![BU of 5mwp by Molmil](/molmil-images/mine/5mwp) | The structure of MR in complex with AZD9977. | Descriptor: | 2-[(3~{S})-7-fluoranyl-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide, Mineralocorticoid receptor, NCOA1 peptide | Authors: | Edman, K, Aagaard, A, Backstrom, S. | Deposit date: | 2017-01-19 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Preclinical pharmacology of AZD9977: A novel mineralocorticoid receptor modulator separating organ protection from effects on electrolyte excretion. PLoS ONE, 13, 2018
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8GFK
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4YUI
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![BU of 4yui by Molmil](/molmil-images/mine/4yui) | Multiconformer synchrotron model of CypA at 180 K | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S. | Deposit date: | 2015-03-18 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography. Elife, 4, 2015
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5MWY
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![BU of 5mwy by Molmil](/molmil-images/mine/5mwy) | The structure of MR in complex with eplerenone. | Descriptor: | Mineralocorticoid receptor, NCOA1, eplerenone | Authors: | Edman, K, Aagaard, A, Backstrom, S. | Deposit date: | 2017-01-20 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Preclinical pharmacology of AZD9977: A novel mineralocorticoid receptor modulator separating organ protection from effects on electrolyte excretion. PLoS ONE, 13, 2018
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5MRO
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![BU of 5mro by Molmil](/molmil-images/mine/5mro) | Arabidopsis thaliana IspD Glu258Ala mutant in complex with Azolopyrimidine (1) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ... | Authors: | Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F. | Deposit date: | 2016-12-23 | Release date: | 2017-07-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands. ACS Chem. Biol., 12, 2017
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8TXT
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![BU of 8txt by Molmil](/molmil-images/mine/8txt) | Crystal structure of 05.GC.w13.02 Fab in complex with H5 HA from A/Viet Nam/1203/2004(H5N1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GC_W13B_B, ... | Authors: | Lin, T.H, Moore, N, Wilson, I.A. | Deposit date: | 2023-08-24 | Release date: | 2024-06-26 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Maturation of germinal center B cells after influenza virus vaccination in humans. J.Exp.Med., 221, 2024
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6NT4
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![BU of 6nt4 by Molmil](/molmil-images/mine/6nt4) | Cryo-EM structure of a human-cockroach hybrid Nav channel bound to alpha-scorpion toxin AaH2. | Descriptor: | (7E,21R,24S)-27-amino-24-hydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaheptacos-7-en-21-yl (9Z,12E)-octadeca-9,12-dienoate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Clairfeuille, T, Rohou, A, Payandeh, J. | Deposit date: | 2019-01-28 | Release date: | 2019-02-20 | Last modified: | 2021-08-25 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural basis of alpha-scorpion toxin action on Na v channels. Science, 363, 2019
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8GUH
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![BU of 8guh by Molmil](/molmil-images/mine/8guh) | Serine Palmitoyltransferase from Sphingobacterium multivorum complexed with Tris | Descriptor: | 1,2-ETHANEDIOL, Serine palmitoyltransferase, [4-[[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]amino]methyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate | Authors: | Murakami, T, Takahashi, A, Katayama, A, Miyahara, I, Kamiya, N, Ikushiro, H, Yano, T. | Deposit date: | 2022-09-12 | Release date: | 2023-07-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of Sphingobacterium multivorum serine palmitoyltransferase complexed with tris(hydroxymethyl)aminomethane. Acta Crystallogr.,Sect.F, 78, 2022
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8FXS
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![BU of 8fxs by Molmil](/molmil-images/mine/8fxs) | Crystal structure of human pro-TGF-beta2 in complex with Nb9 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody clone 9, Transforming growth factor beta-2 proprotein | Authors: | Le, V.Q, Springer, T.A. | Deposit date: | 2023-01-25 | Release date: | 2023-06-21 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | A specialized integrin-binding motif enables proTGF-beta 2 activation by integrin alpha V beta 6 but not alpha V beta 8. Proc.Natl.Acad.Sci.USA, 120, 2023
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7AC6
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![BU of 7ac6 by Molmil](/molmil-images/mine/7ac6) | Structure of sponge-phase grown PepTst2 collected by rotation serial crystallography on a COC membrane at a synchrotron source | Descriptor: | (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 2-(2-METHOXYETHOXY)ETHANOL, Di-or tripeptide:H+ symporter, ... | Authors: | Martiel, I, Padeste, C, Karpik, A, Huang, C.Y, Wang, M, Marsh, M. | Deposit date: | 2020-09-10 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Versatile microporous polymer-based supports for serial macromolecular crystallography. Acta Crystallogr D Struct Biol, 77, 2021
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8U03
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5MK4
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![BU of 5mk4 by Molmil](/molmil-images/mine/5mk4) | Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 7 and a fragment of the TIF2 co-activator. | Descriptor: | (~{E})-3-[3-(2-methyl-5-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid, CHLORIDE ION, Nuclear receptor coactivator 2, ... | Authors: | Andrei, S.A, Scheepstra, M, Brunsveld, L, Ottmann, C. | Deposit date: | 2016-12-02 | Release date: | 2017-11-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Ligand Dependent Switch from RXR Homo- to RXR-NURR1 Heterodimerization. ACS Chem Neurosci, 8, 2017
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7U4C
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![BU of 7u4c by Molmil](/molmil-images/mine/7u4c) | Borrelia burgdorferi HtpG N-terminal domain (1-228) in complex with BX-2819 | Descriptor: | Chaperone protein HtpG, ethyl (4-{3-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzyl)carbamate | Authors: | Kowalewski, M.E, Lietzan, A, Haystead, T, Redinbo, M.R. | Deposit date: | 2022-02-28 | Release date: | 2023-03-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Targeting Borrelia burgdorferi HtpG with a berserker molecule, a strategy for anti-microbial development. Cell Chem Biol, 2023
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6ZIP
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![BU of 6zip by Molmil](/molmil-images/mine/6zip) | Crystal Structure of Two-Domain Laccase mutant R240A from Streptomyces griseoflavus | Descriptor: | COPPER (II) ION, GLYCEROL, OXYGEN MOLECULE, ... | Authors: | Gabdulkhakov, A.G, Tishchenko, T.V, Kolyadenko, I.A. | Deposit date: | 2020-06-26 | Release date: | 2021-05-05 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The role of positive charged residue in the proton-transfer mechanism of two-domain laccase from Streptomyces griseoflavus Ac-993. J.Biomol.Struct.Dyn., 40, 2022
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7U4P
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8FN4
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![BU of 8fn4 by Molmil](/molmil-images/mine/8fn4) | Cryo-EM structure of RNase-treated RESC-A in trypanosomal RNA editing | Descriptor: | RNA-editing substrate-binding complex protein 1 (RESC1), RNA-editing substrate-binding complex protein 2 (RESC2), RNA-editing substrate-binding complex protein 3 (RESC3), ... | Authors: | Liu, S, Wang, H, Li, X, Zhang, F, Lee, J.K.J, Li, Z, Yu, C, Zhao, X, Hu, J.J, Suematsu, T, Alvarez-Cabrera, A.L, Liu, Q, Zhang, L, Huang, L, Aphasizheva, I, Aphasizhev, R, Zhou, Z.H. | Deposit date: | 2022-12-26 | Release date: | 2023-07-19 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural basis of gRNA stabilization and mRNA recognition in trypanosomal RNA editing. Science, 381, 2023
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8FWY
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![BU of 8fwy by Molmil](/molmil-images/mine/8fwy) | Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to the dead-end complex xanthine and pyrophosphate | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, PHOSPHATE ION, XANTHINE | Authors: | Hughes, R, Meneely, K.M, Glockzin, K, Tyler, P.C, Lamb, A.L, Meek, T.D, Katzfuss, A. | Deposit date: | 2023-01-23 | Release date: | 2023-07-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors. Biochemistry, 62, 2023
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7A0R
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![BU of 7a0r by Molmil](/molmil-images/mine/7a0r) | 50S Deinococcus radiodurans ribosome bounded with mycinamicin I | Descriptor: | 50S ribosomal protein L13, 50S ribosomal protein L14, 50S ribosomal protein L15, ... | Authors: | Breiner, E, Eyal, Z, Matzov, D, Halfon, Y, Cimicata, G, Rozenberg, H, Zimmerman, E, Bashan, A, Yonath, A. | Deposit date: | 2020-08-10 | Release date: | 2021-08-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Ribosome-binding and anti-microbial studies of the mycinamicins, 16-membered macrolide antibiotics from Micromonospora griseorubida. Nucleic Acids Res., 49, 2021
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8FX3
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![BU of 8fx3 by Molmil](/molmil-images/mine/8fx3) | Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to Immucillin-GP, showing the structure of the complete active site in its open conformation | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, PHOSPHORIC ACID MONO-[5-(2-AMINO-4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-3,4-DIHYDROXY-PYRROLIDIN-2-YLMETHYL] ESTER | Authors: | Hughes, R, Meneely, K.M, Glockzin, K, Suthagar, K, Tyler, P.C, Lamb, A.L, Meek, T.D, Katzfuss, A. | Deposit date: | 2023-01-23 | Release date: | 2023-07-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors. Biochemistry, 62, 2023
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6SUL
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![BU of 6sul by Molmil](/molmil-images/mine/6sul) | Amicoumacin kinase AmiN in complex with AMP-PNP, Mg2+ and Ami | Descriptor: | Amicoumacin A, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Bourenkov, G.P, Mokrushina, Y.A, Terekhov, S.S, Smirnov, I.V, Gabibov, A.G, Altman, S. | Deposit date: | 2019-09-15 | Release date: | 2020-07-22 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | A kinase bioscavenger provides antibiotic resistance by extremely tight substrate binding. Sci Adv, 6, 2020
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5LWT
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![BU of 5lwt by Molmil](/molmil-images/mine/5lwt) | Endothiapepsin in complex with a methoxylated derivative of fragment 177 | Descriptor: | 4-methoxy-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2016-09-19 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.069 Å) | Cite: | A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring. Angew. Chem. Int. Ed. Engl., 56, 2017
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8FX1
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![BU of 8fx1 by Molmil](/molmil-images/mine/8fx1) | Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to (R)-SerMe-ImmH Phosphonate | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, [(3R)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid | Authors: | Hughes, R, Meneely, K.M, Glockzin, K, Clinch, K, Tyler, P.C, Lamb, A.L, Meek, T.D, Katzfuss, A. | Deposit date: | 2023-01-23 | Release date: | 2023-07-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors. Biochemistry, 62, 2023
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6QAU
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![BU of 6qau by Molmil](/molmil-images/mine/6qau) | Crystal structure of ULK2 in complexed with MRT67307 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-19 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Conservation of structure, function and inhibitor binding in UNC-51-like kinase 1 and 2 (ULK1/2). Biochem.J., 476, 2019
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6QKA
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