8D7W
 
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6SSS
 | | Crystal structure of Human Microsomal Glutathione S-Transferase 2 | | Descriptor: | 1-(8Z-hexadecenoyl)-sn-glycerol, GLYCEROL, Microsomal glutathione S-transferase 2, ... | | Authors: | Thulasingam, M, Nji, E, Haeggstrom, J.Z. | | Deposit date: | 2019-09-09 | | Release date: | 2021-02-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.498 Å) | | Cite: | Crystal structures of human MGST2 reveal synchronized conformational changes regulating catalysis.
Nat Commun, 12, 2021
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6MC1
 | | Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-(methylthio)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one, ACETATE ION, ... | | Authors: | Gannam, Z.T.K, Anderson, K.S, Bennett, A.M, Lolis, E. | | Deposit date: | 2018-08-30 | | Release date: | 2020-08-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | An allosteric site on MKP5 reveals a strategy for small-molecule inhibition.
Sci.Signal., 13, 2020
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7SVJ
 | | Bile Salt Hydrolase from Lactobacillus ingluviei | | Descriptor: | CALCIUM ION, Choloylglycine hydrolase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Walker, M.E, Patel, S, Redinbo, M.R. | | Deposit date: | 2021-11-19 | | Release date: | 2023-01-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Bile salt hydrolases shape the bile acid landscape and restrict Clostridioides difficile growth in the murine gut.
Nat Microbiol, 8, 2023
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7SVI
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8CVP
 | | Cereblon-DDB1 in the Apo form | | Descriptor: | DNA damage-binding protein 1, Protein cereblon, ZINC ION | | Authors: | Watson, E.R, Lander, G.C. | | Deposit date: | 2022-05-18 | | Release date: | 2022-07-20 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Molecular glue CELMoD compounds are regulators of cereblon conformation.
Science, 378, 2022
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8D7V
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7SVG
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8AYV
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7SVK
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7SVE
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7SVF
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6PV7
 | | Human alpha3beta4 nicotinic acetylcholine receptor in complex with nicotine | | Descriptor: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gharpure, A, Teng, J, Zhuang, Y, Noviello, C.M, Walsh, R.M, Cabuco, R, Howard, R.J, Zaveri, N.T, Lindahl, E, Hibbs, R.E. | | Deposit date: | 2019-07-19 | | Release date: | 2019-09-11 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.34 Å) | | Cite: | Agonist Selectivity and Ion Permeation in the alpha 3 beta 4 Ganglionic Nicotinic Receptor.
Neuron, 104, 2019
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8VHW
 | | Neutron Structure of Peroxide-Soaked Trp161Phe MnSOD | | Descriptor: | HYDROGEN PEROXIDE, MANGANESE (II) ION, Superoxide dismutase [Mn], ... | | Authors: | Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Coates, L, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O. | | Deposit date: | 2024-01-02 | | Release date: | 2024-07-31 | | Method: | NEUTRON DIFFRACTION (2.3 Å) | | Cite: | Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Biorxiv, 2024
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5D3G
 | | Structure of HIV-1 Reverse Transcriptase Bound to a Novel 38-mer Hairpin Template-Primer DNA Aptamer | | Descriptor: | DNA aptamer (38-MER), GLYCEROL, HIV-1 REVERSE TRANSCRIPTASE P51 subunit, ... | | Authors: | Miller, M.T, Tuske, S, Das, K, Arnold, E. | | Deposit date: | 2015-08-06 | | Release date: | 2015-09-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of HIV-1 reverse transcriptase bound to a novel 38-mer hairpin template-primer DNA aptamer.
Protein Sci., 25, 2016
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8VHY
 | | Neutron Structure of Reduced Trp161Phe MnSOD | | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial | | Authors: | Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Coates, L, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O. | | Deposit date: | 2024-01-02 | | Release date: | 2024-07-31 | | Method: | NEUTRON DIFFRACTION (2.3 Å) | | Cite: | Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Biorxiv, 2024
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7T8S
 | | Light Harvesting complex phycoerythrin PE 566, from the cryptophyte Cryptomonas pyrenoidifera | | Descriptor: | Bilin 584 (doubly linked), Bilin 584 (single linked), Bilin 618 (single linked), ... | | Authors: | Michie, K.A, Harrop, S.J, Rathbone, H.W, Wilk, K.E, Curmi, P.M.G. | | Deposit date: | 2021-12-17 | | Release date: | 2023-02-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular structures reveal the origin of spectral variation in cryptophyte light harvesting antenna proteins.
Protein Sci., 32, 2023
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8VJ0
 | | Neutron Structure of Oxidized Trp161Phe MnSOD | | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial | | Authors: | Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O. | | Deposit date: | 2024-01-05 | | Release date: | 2024-07-31 | | Method: | NEUTRON DIFFRACTION (2.3 Å) | | Cite: | Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Biorxiv, 2024
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7B3G
 | | Notum complex with ARUK3003902 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-((2-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one, ... | | Authors: | Zhao, Y, Jone, E.Y. | | Deposit date: | 2020-11-30 | | Release date: | 2021-12-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity.
J.Med.Chem., 65, 2022
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6YH9
 | | Crystal structure of chimeric carbonic anhydrase XII with 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | | Descriptor: | 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2020-03-28 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
Chemistryopen, 10, 2021
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6YHB
 | | Crystal structure of chimeric carbonic anhydrase XII with 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide | | Descriptor: | 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2020-03-28 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
Chemistryopen, 10, 2021
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7O7C
 | | Crystal structure of rsEGFP2 mutant V151A in the non-fluorescent off-state determined by synchrotron radiation at 100K | | Descriptor: | Green fluorescent protein, SULFATE ION | | Authors: | Woodhouse, J, Adam, V, Hadjidemetriou, K, Colletier, J.-P, Weik, M. | | Deposit date: | 2021-04-13 | | Release date: | 2022-07-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Rational Control of Off-State Heterogeneity in a Photoswitchable Fluorescent Protein Provides Switching Contrast Enhancement.
Chemphyschem, 23, 2022
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5LRM
 | | Structure of di-zinc MCR-1 in P41212 space group | | Descriptor: | GLYCEROL, ZINC ION, phosphatidylethanolamine transferase Mcr-1 | | Authors: | Hinchliffe, P, Spencer, J. | | Deposit date: | 2016-08-19 | | Release date: | 2016-12-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Insights into the Mechanistic Basis of Plasmid-Mediated Colistin Resistance from Crystal Structures of the Catalytic Domain of MCR-1.
Sci Rep, 7, 2017
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8QO4
 | | Conserved Structures and Dynamics in 5-Proximal Regions of Betacoronavirus RNA Genomes | | Descriptor: | MERS-CoV-SL5 | | Authors: | Moura, T.R, Purta, E, Bernat, A, Baulin, E, Mukherjee, S, Bujnicki, J.M. | | Deposit date: | 2023-09-28 | | Release date: | 2024-03-06 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (5.9 Å) | | Cite: | Conserved structures and dynamics in 5'-proximal regions of Betacoronavirus RNA genomes.
Nucleic Acids Res., 52, 2024
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8OFN
 | | Structure of the yellow fever virus (Asibi strain) dimeric envelope protein | | Descriptor: | Envelope glycoprotein, SULFATE ION | | Authors: | Covernton, E, Vaney, M.C, Barba-Spaeth, G, Rey, F.A. | | Deposit date: | 2023-03-16 | | Release date: | 2023-08-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.48 Å) | | Cite: | New insight into flavivirus maturation from structure/function studies of the yellow fever virus envelope protein complex.
Mbio, 14, 2023
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