5MU6
 
 | | Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and IMP-1088 inhibitor bound | | Descriptor: | 1-[5-[3,4-bis(fluoranyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, ... | | Authors: | Perez-Dorado, I, Bell, A.S, Tate, E.W. | | Deposit date: | 2017-01-12 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus.
Nat Chem, 10, 2018
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5J0Z
 | | Crystal structure of GLIC in complex with DHA | | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | | Authors: | Basak, S, Schmandt, N, Chakrapani, S. | | Deposit date: | 2016-03-28 | | Release date: | 2017-03-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Crystal structure and dynamics of a lipid-induced potential desensitized-state of a pentameric ligand-gated channel.
Elife, 6, 2017
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5IYB
 | | Human core-PIC in the open state | | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB10, DNA-directed RNA polymerase II subunit RPB11-a, ... | | Authors: | He, Y, Yan, C, Fang, J, Inouye, C, Tjian, R, Ivanov, I, Nogales, E. | | Deposit date: | 2016-03-24 | | Release date: | 2016-05-18 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Near-atomic resolution visualization of human transcription promoter opening.
Nature, 533, 2016
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5J1E
 | | Crystal Structure of a Hydroxypyridone Carboxylic Acid Active-Site RNase H Inhibitor in Complex with HIV Reverse Transcriptase | | Descriptor: | 5-hydroxy-4-oxo-1-[(4'-sulfamoyl[1,1'-biphenyl]-4-yl)methyl]-1,4-dihydropyridine-3-carboxylic acid, HIV-1 REVERSE TRANSCRIPTASE P51 DOMAIN, HIV-1 REVERSE TRANSCRIPTASE P66 DOMAIN, ... | | Authors: | Kirby, K.A, Sarafianos, S.G. | | Deposit date: | 2016-03-29 | | Release date: | 2016-06-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Design, Synthesis, and Biological Evaluations of Hydroxypyridonecarboxylic Acids as Inhibitors of HIV Reverse Transcriptase Associated RNase H.
J.Med.Chem., 59, 2016
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5MZF
 | | Crystal structure of dog MTH1 protein | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Narwal, M, Jemth, A.-S, Helleday, T, Stenmark, P. | | Deposit date: | 2017-01-31 | | Release date: | 2018-01-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures and Inhibitor Interactions of Mouse and Dog MTH1 Reveal Species-Specific Differences in Affinity.
Biochemistry, 57, 2018
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5MZQ
 | | X-ray structure of the M205W mutant of GLIC in complex with bromoform | | Descriptor: | (3R)-3-(dodecanoyloxy)tetradecanoic acid, 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ACETATE ION, ... | | Authors: | Fourati, Z, Delarue, M. | | Deposit date: | 2017-02-01 | | Release date: | 2018-02-28 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Basis for a Bimodal Allosteric Mechanism of General Anesthetic Modulation in Pentameric Ligand-Gated Ion Channels.
Cell Rep, 23, 2018
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5JD2
 | | SFX structure of corestreptavidin-selenobiotin complex | | Descriptor: | 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-selenopheno[3,4-d]imidazol-4-yl]pentanoic acid, Streptavidin | | Authors: | DeMirci, H, Hunter, M.S, Boutet, S. | | Deposit date: | 2016-04-15 | | Release date: | 2016-11-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Selenium single-wavelength anomalous diffraction de novo phasing using an X-ray-free electron laser.
Nat Commun, 7, 2016
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5JFI
 | | Crystal structure of a TDIF-TDR complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CLE41, Leucine-rich repeat receptor-like protein kinase TDR | | Authors: | Xu, G, Li, Z. | | Deposit date: | 2016-04-19 | | Release date: | 2017-03-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.749 Å) | | Cite: | Crystal structure of a TDIF-TDR complex
To Be Published
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5J4I
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5IYD
 | | Human core-PIC in the initial transcribing state (no IIS) | | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB10, DNA-directed RNA polymerase II subunit RPB11-a, ... | | Authors: | He, Y, Yan, C, Fang, J, Inouye, C, Tjian, R, Ivanov, I, Nogales, E. | | Deposit date: | 2016-03-24 | | Release date: | 2016-05-18 | | Last modified: | 2019-11-20 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Near-atomic resolution visualization of human transcription promoter opening.
Nature, 533, 2016
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5N6L
 | | Structure of the membrane integral lipoprotein N-acyltransferase Lnt C387A mutant from E. coli | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apolipoprotein N-acyltransferase, GLYCEROL | | Authors: | Huang, C.-Y, Boland, C, Howe, N, Wiktor, M, Vogeley, L, Weichert, D, Bailey, J, Olieric, V, Wang, M, Caffrey, M. | | Deposit date: | 2017-02-15 | | Release date: | 2017-07-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural insights into the mechanism of the membrane integral N-acyltransferase step in bacterial lipoprotein synthesis.
Nat Commun, 8, 2017
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5IUX
 | | GLIC-V135C bimane labelled X-ray structure | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2,3,5,6-tetramethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione, ACETATE ION, ... | | Authors: | Fourati, Z, Menny, A, Delarue, M. | | Deposit date: | 2016-03-18 | | Release date: | 2017-03-29 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Identification of a pre-active conformation of a pentameric channel receptor.
Elife, 6, 2017
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5J42
 | | Crystal structure of m2hTDP2-CAT in complex with a small molecule inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 10-(4-hydroxyphenyl)-2,4-dioxo-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile, GLYCEROL, ... | | Authors: | Hornyak, P, Pearl, L.H, Caldecott, K.W, Oliver, A.W. | | Deposit date: | 2016-03-31 | | Release date: | 2016-05-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mode of action of DNA-competitive small molecule inhibitors of tyrosyl DNA phosphodiesterase 2.
Biochem.J., 473, 2016
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5NJY
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5K2D
 | | 1.9A angstrom A2a adenosine receptor structure with MR phasing using XFEL data | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | | Authors: | Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | | Deposit date: | 2016-05-18 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2, 2016
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5NLM
 | | Complex between a UDP-glucosyltransferase from Polygonum tinctorium capable of glucosylating indoxyl and indoxyl sulfate | | Descriptor: | 3-SULFOOXY-1H-INDOLE, MAGNESIUM ION, indoxyl UDP-glucosyltransferase | | Authors: | Welner, D.H, Hsu, T, Dueber, J, Adams, P.D. | | Deposit date: | 2017-04-04 | | Release date: | 2018-01-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Employing a biochemical protecting group for a sustainable indigo dyeing strategy.
Nat. Chem. Biol., 14, 2018
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5NCO
 | | Quaternary complex between SRP, SR, and SecYEG bound to the translating ribosome | | Descriptor: | 23S rRNA, 4.5S SRP RNA (Ffs), 50S ribosomal protein L10, ... | | Authors: | Jomaa, A, Hwang Fu, Y, Boerhinger, D, Leibundgut, M, Shan, S.O, Ban, N. | | Deposit date: | 2017-03-06 | | Release date: | 2017-05-24 | | Last modified: | 2018-03-28 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Structure of the quaternary complex between SRP, SR, and translocon bound to the translating ribosome.
Nat Commun, 8, 2017
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5JTG
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5NOG
 | | Ca2+-induced Movement of Tropomyosin on Native Cardiac Thin Filaments - "Blocked" state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cardiac muscle alpha actin 1, MAGNESIUM ION, ... | | Authors: | Risi, C, Eisner, J, Belknap, B, Heeley, D.H, White, H.D, Schroeder, G.F, Galkin, V.E. | | Deposit date: | 2017-04-12 | | Release date: | 2017-07-19 | | Last modified: | 2017-08-30 | | Method: | ELECTRON MICROSCOPY (11 Å) | | Cite: | Ca(2+)-induced movement of tropomyosin on native cardiac thin filaments revealed by cryoelectron microscopy.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5N9Y
 | | The full-length structure of ZntB | | Descriptor: | Zinc transport protein ZntB | | Authors: | Cornelius, G, Stetsenko, A, Scheres, S.H.W, Slotboom, D.J, Guskov, A. | | Deposit date: | 2017-02-27 | | Release date: | 2017-11-15 | | Last modified: | 2019-10-23 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | The structural basis of proton driven zinc transport by ZntB.
Nat Commun, 8, 2017
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5JZ9
 | | Crystal structure of HsaD bound to 3,5-dichloro-4-hydroxybenzenesulphonic acid | | Descriptor: | 3,5-dichloro-4-hydroxybenzene-1-sulfonic acid, 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase | | Authors: | Ryan, A, Polycarpou, E, Lack, N.A, Evangelopoulos, D, Sieg, C, Halman, A, Bhakta, S, Sinclair, A, Eleftheriadou, O, McHugh, T.D, Keany, S, Lowe, E, Ballet, R, Abihammad, A, Ciulli, A, Sim, E. | | Deposit date: | 2016-05-16 | | Release date: | 2017-04-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach.
Br. J. Pharmacol., 174, 2017
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5NF7
 | | Structure of Galectin-3 CRD in complex with compound 1 | | Descriptor: | Galectin-3, beta-D-galactopyranose-(1-4)-N-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranosylamine | | Authors: | Ronin, C, Atmanene, C, Gautier, F.M, Pilard, F.D, Teletchea, S, Ciesielski, F, Hannah, V.V, Grandjean, C. | | Deposit date: | 2017-03-13 | | Release date: | 2017-06-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Biophysical and structural characterization of mono/di-arylated lactosamine derivatives interaction with human galectin-3.
Biochem. Biophys. Res. Commun., 489, 2017
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5NFC
 | | Structure of Galectin-3 CRD in complex with glycerol | | Descriptor: | GLYCEROL, Galectin-3 | | Authors: | Ronin, C, Atmanene, C, Gautier, F.M, Djedaini Pilard, F, Teletchea, S, Ciesielski, F, Vivat Hannah, V, Grandjean, C. | | Deposit date: | 2017-03-13 | | Release date: | 2017-06-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Biophysical and structural characterization of mono/di-arylated lactosamine derivatives interaction with human galectin-3.
Biochem. Biophys. Res. Commun., 489, 2017
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5K3F
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/Fluoroacetate - Cocrystallized - Single Protomer Reacted with Ligand | | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase | | Authors: | Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F. | | Deposit date: | 2016-05-19 | | Release date: | 2017-02-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
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5K3S
 | | Crystal structure of Arabidopsis thaliana acetohydroxyacid synthase in complex with a pyrimidinyl-benzoate herbicide, bispyribac-sodium | | Descriptor: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid, Acetolactate synthase, ... | | Authors: | Garcia, M.D, Lonhienne, T, Guddat, L.W. | | Deposit date: | 2016-05-19 | | Release date: | 2017-02-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.873 Å) | | Cite: | Comprehensive understanding of acetohydroxyacid synthase inhibition by different herbicide families.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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