5LZA
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![BU of 5lza by Molmil](/molmil-images/mine/5lza) | Structure of the 70S ribosome with SECIS-mRNA and P-site tRNA (Initial complex, IC) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Fischer, N, Neumann, P, Bock, L.V, Maracci, C, Wang, Z, Paleskava, A, Konevega, A.L, Schroeder, G.F, Grubmueller, H, Ficner, R, Rodnina, M.V, Stark, H. | Deposit date: | 2016-09-29 | Release date: | 2016-11-23 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | The pathway to GTPase activation of elongation factor SelB on the ribosome. Nature, 540, 2016
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5J2N
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![BU of 5j2n by Molmil](/molmil-images/mine/5j2n) | HIV-1 reverse transcriptase in complex with DNA that has incorporated EFdA-MP at the P-(post-translocation) site and dTMP at the N-(pre-translocation) site | Descriptor: | DNA (27-MER), DNA 5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3', MAGNESIUM ION, ... | Authors: | Salie, Z.L, Kirby, K.A, Sarafianos, S.G. | Deposit date: | 2016-03-29 | Release date: | 2016-08-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.896 Å) | Cite: | Structural basis of HIV inhibition by translocation-defective RT inhibitor 4'-ethynyl-2-fluoro-2'-deoxyadenosine (EFdA). Proc.Natl.Acad.Sci.USA, 113, 2016
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5J3S
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![BU of 5j3s by Molmil](/molmil-images/mine/5j3s) | Crystal structure of the catalytic domain of human tyrosyl DNA phosphodiesterase 2 in complex with a small molecule inhibitor | Descriptor: | 2,4-dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile, Tyrosyl-DNA phosphodiesterase 2 | 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 (3.4 Å) | Cite: | Mode of action of DNA-competitive small molecule inhibitors of tyrosyl DNA phosphodiesterase 2. Biochem.J., 473, 2016
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5IY8
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![BU of 5iy8 by Molmil](/molmil-images/mine/5iy8) | Human holo-PIC in the initial transcribing 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 (7.9 Å) | Cite: | Near-atomic resolution visualization of human transcription promoter opening. Nature, 533, 2016
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5J6S
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![BU of 5j6s by Molmil](/molmil-images/mine/5j6s) | Crystal structure of Endoplasmic Reticulum Aminopeptidase 2 (ERAP2) in complex with a hydroxamic derivative ligand | Descriptor: | (2S)-N~1~-benzyl-2-[(4-fluorophenyl)methyl]-N~3~-hydroxypropanediamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Saridakis, E, Giastas, P, Mpakali, A, Deprez-Poulain, R, Stratikos, E. | Deposit date: | 2016-04-05 | Release date: | 2017-03-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structures of ERAP2 Complexed with Inhibitors Reveal Pharmacophore Requirements for Optimizing Inhibitor Potency. ACS Med Chem Lett, 8, 2017
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5LKB
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![BU of 5lkb by Molmil](/molmil-images/mine/5lkb) | Crystal structure of the Xi glutathione transferase ECM4 from Saccharomyces cerevisiae | Descriptor: | GLYCEROL, Glutathione S-transferase omega-like 2 | Authors: | Schwartz, M, Didierjean, C, Hecker, A, Girardet, J.M, Morel-Rouhier, M, Gelhaye, E, Favier, F. | Deposit date: | 2016-07-22 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal Structure of Saccharomyces cerevisiae ECM4, a Xi-Class Glutathione Transferase that Reacts with Glutathionyl-(hydro)quinones. Plos One, 11, 2016
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5LKX
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![BU of 5lkx by Molmil](/molmil-images/mine/5lkx) | Crystal structure of the p300 acetyltransferase catalytic core with propionyl-coenzyme A. | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Histone acetyltransferase p300,Histone acetyltransferase p300, ... | Authors: | Kaczmarska, Z, Ortega, E, Marquez, J.A, Panne, D. | Deposit date: | 2016-07-25 | Release date: | 2016-11-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Structure of p300 in complex with acyl-CoA variants. Nat. Chem. Biol., 13, 2017
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5J7Y
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![BU of 5j7y by Molmil](/molmil-images/mine/5j7y) | Architecture of loose respirasome | Descriptor: | COMPLEX I 13KDA/NDUFS6, COMPLEX I 15KDA/NDUFS5, COMPLEX I 18KDA/NDUFS6, ... | Authors: | Letts, J.A, Fiedorczuk, F, Sazanov, L.A. | Deposit date: | 2016-04-07 | Release date: | 2016-09-21 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (6.7 Å) | Cite: | The architecture of respiratory supercomplexes. Nature, 537, 2016
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5IY6
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![BU of 5iy6 by Molmil](/molmil-images/mine/5iy6) | Human holo-PIC in the closed 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: | 2019-11-20 | Method: | ELECTRON MICROSCOPY (7.2 Å) | Cite: | Near-atomic resolution visualization of human transcription promoter opening. Nature, 533, 2016
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5JLH
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![BU of 5jlh by Molmil](/molmil-images/mine/5jlh) | Cryo-EM structure of a human cytoplasmic actomyosin complex at near-atomic resolution | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 2, ... | Authors: | von der Ecken, J, Heissler, S.M, Pathan-Chhatbar, S, Manstein, D.J, Raunser, S. | Deposit date: | 2016-04-27 | Release date: | 2016-06-15 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Cryo-EM structure of a human cytoplasmic actomyosin complex at near-atomic resolution. Nature, 534, 2016
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5LUK
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![BU of 5luk by Molmil](/molmil-images/mine/5luk) | Structure of a double variant of cutinase 2 from Thermobifida cellulosilytica | Descriptor: | CHLORIDE ION, Cutinase 2, MAGNESIUM ION | Authors: | Hromic, A, Lyskowski, A, Gruber, K. | Deposit date: | 2016-09-09 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Small cause, large effect: Structural characterization of cutinases from Thermobifida cellulosilytica. Biotechnol. Bioeng., 114, 2017
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5IU8
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![BU of 5iu8 by Molmil](/molmil-images/mine/5iu8) | Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12f at 2.0A resolution | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(furan-2-yl)-N~5~-[2-(4-methylpiperazin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine, ... | Authors: | Segala, E, Guo, D, Cheng, R.K.Y, Bortolato, A, Deflorian, F, Dore, A.S, Errey, J.C, Heitman, L.H, Ijzerman, A.P, Marshall, F.H, Cooke, R.M. | Deposit date: | 2016-03-17 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength. J.Med.Chem., 59, 2016
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5IUA
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![BU of 5iua by Molmil](/molmil-images/mine/5iua) | Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12b at 2.2A resolution | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(furan-2-yl)-N~5~-[3-(4-phenylpiperazin-1-yl)propyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | Authors: | Segala, E, Guo, D, Cheng, R.K.Y, Bortolato, A, Deflorian, F, Dore, A.S, Errey, J.C, Heitman, L.H, Ijzerman, A.P, Marshall, F.H, Cooke, R.M. | Deposit date: | 2016-03-17 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength. J.Med.Chem., 59, 2016
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5IUQ
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![BU of 5iuq by Molmil](/molmil-images/mine/5iuq) | Galectin-3c in complex with Bisamido-thiogalactoside derivative 4 | Descriptor: | 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-beta-D-galactopyranosyl 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-1-thio-beta-D-galactopyranoside, Galectin-3 | Authors: | Noresson, A.-L, Aurelius, O, Oberg, C.T, Engstrom, O, Sundin, A.P, Hakansson, M, Logan, D.T, Leffler, H, Nilsson, U.J. | Deposit date: | 2016-03-18 | Release date: | 2017-03-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.121 Å) | Cite: | Controlling protein:ligand complex conformation through tuning of arginine-arene interactions: Synthetic and structural studies with 3-benzamido-2-sulfo-galactosides as galectin-3 ligands To Be Published
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5LUJ
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![BU of 5luj by Molmil](/molmil-images/mine/5luj) | |
5LWE
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![BU of 5lwe by Molmil](/molmil-images/mine/5lwe) | Crystal structure of the human CC chemokine receptor type 9 (CCR9) in complex with vercirnon | Descriptor: | C-C chemokine receptor type 9, CHOLESTEROL, MALONATE ION, ... | Authors: | Oswald, C, Rappas, M, Kean, J, Dore, A.S, Errey, J.C, Bennett, K, Deflorian, F, Christopher, J.A, Jazayeri, A, Mason, J.S, Congreve, M, Cooke, R.M, Marshall, F.H. | Deposit date: | 2016-09-16 | Release date: | 2016-12-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Intracellular allosteric antagonism of the CCR9 receptor. Nature, 540, 2016
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5IY9
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![BU of 5iy9 by Molmil](/molmil-images/mine/5iy9) | Human holo-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 (6.3 Å) | Cite: | Near-atomic resolution visualization of human transcription promoter opening. Nature, 533, 2016
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5IZ7
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![BU of 5iz7 by Molmil](/molmil-images/mine/5iz7) | Cryo-EM structure of thermally stable Zika virus strain H/PF/2013 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, structural protein E, structural protein M | Authors: | Kostyuchenko, V.A, Zhang, S, Fibriansah, G, Lok, S.M. | Deposit date: | 2016-03-25 | Release date: | 2016-05-25 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structure of the thermally stable Zika virus Nature, 533, 2016
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5IZQ
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![BU of 5izq by Molmil](/molmil-images/mine/5izq) | Crystal structure of human folate receptor alpha in complex with novel antifolate AGF183 | Descriptor: | Folate receptor alpha, N-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-L-glutamic acid | Authors: | Ke, J, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K. | Deposit date: | 2016-03-25 | Release date: | 2016-08-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Tumor Targeting with Novel 6-Substituted Pyrrolo [2,3-d] Pyrimidine Antifolates with Heteroatom Bridge Substitutions via Cellular Uptake by Folate Receptor alpha and the Proton-Coupled Folate Transporter and Inhibition of de Novo Purine Nucleotide Biosynthesis. J.Med.Chem., 59, 2016
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5J8V
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![BU of 5j8v by Molmil](/molmil-images/mine/5j8v) | |
5J5Y
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![BU of 5j5y by Molmil](/molmil-images/mine/5j5y) | Translation initiation factor 4E in complex with m2(7,2'O)GppCCl2ppG mRNA 5' cap analog | Descriptor: | 2-amino-9-{5-O-[(R)-{[(S)-{dichloro[(R)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-O-methyl-beta-D-ribofuranosyl}-7-methyl-9H-purin-7-ium-6-olate, Eukaryotic translation initiation factor 4E, GLYCEROL | Authors: | Warminski, M, Nowak, E, Rydzik, A.M, Kowalska, J, Jemielity, J, Nowotny, M. | Deposit date: | 2016-04-04 | Release date: | 2017-05-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | mRNA cap analogues substituted in the tetraphosphate chain with CX2: identification of O-to-CCl2 as the first bridging modification that confers resistance to decapping without impairing translation. Nucleic Acids Res., 45, 2017
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5IUB
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![BU of 5iub by Molmil](/molmil-images/mine/5iub) | Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12x at 2.1A resolution | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | Authors: | Segala, E, Guo, D, Cheng, R.K.Y, Bortolato, A, Deflorian, F, Dore, A.S, Errey, J.C, Heitman, L.H, Ijzerman, A.P, Marshall, F.H, Cooke, R.M. | Deposit date: | 2016-03-17 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength. J.Med.Chem., 59, 2016
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5JCW
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![BU of 5jcw by Molmil](/molmil-images/mine/5jcw) | Crystal Structure of hGSTP1-1 with Glutathione Adduct of Phenethyl Isothiocyanate | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Kumari, V, Ji, X. | Deposit date: | 2016-04-15 | Release date: | 2016-10-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.945 Å) | Cite: | Irreversible Inhibition of Glutathione S-Transferase by Phenethyl Isothiocyanate (PEITC), a Dietary Cancer Chemopreventive Phytochemical. Plos One, 11, 2016
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5M5B
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![BU of 5m5b by Molmil](/molmil-images/mine/5m5b) | Crystal structure of Zika virus NS5 methyltransferase | Descriptor: | CHLORIDE ION, GLYCEROL, NS5 methyltransferase, ... | Authors: | Barral, K, Ortiz Lombardia, M, Coutard, B, Decroly, E, Lichiere, J. | Deposit date: | 2016-10-21 | Release date: | 2016-12-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Zika Virus Methyltransferase: Structure and Functions for Drug Design Perspectives. J. Virol., 91, 2017
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5LHD
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![BU of 5lhd by Molmil](/molmil-images/mine/5lhd) | Structure of glycosylated human aminopeptidase N | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Recacha, R, Mudgal, G, Santiago, C, Casasnovas, J.M. | Deposit date: | 2016-07-11 | Release date: | 2017-04-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Allosteric inhibition of aminopeptidase N functions related to tumor growth and virus infection. Sci Rep, 7, 2017
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