7P0K
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![BU of 7p0k by Molmil](/molmil-images/mine/7p0k) | Crystal structure of Autotaxin (ENPP2) with 18F-labeled positron emission tomography ligand | Descriptor: | 2-[[2-ethyl-6-[4-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-2,3-dihydro-1,3-thiazole-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Salgado-Polo, F, Shao, T, Xiao, Z, Van, R, Chen, J, Rong, J, Haider, A, Shao, Y, Josephson, L, Perrakis, A, Liang, S.H. | Deposit date: | 2021-06-29 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Imaging Autotaxin In Vivo with 18 F-Labeled Positron Emission Tomography Ligands J Med Chem, 64, 2021
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7OYB
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![BU of 7oyb by Molmil](/molmil-images/mine/7oyb) | Cryo-EM structure of the 6 hpf zebrafish embryo 80S ribosome | Descriptor: | 18S rRNA, 28S rRNA, 40S ribosomal protein S11, ... | Authors: | Leesch, F, Lorenzo-Orts, L, Grishkovskaya, I, Kandolf, S, Belacic, K, Meinhart, A, Haselbach, D, Pauli, A. | Deposit date: | 2021-06-24 | Release date: | 2022-07-13 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | A molecular network of conserved factors keeps ribosomes dormant in the egg. Nature, 613, 2023
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4U8L
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![BU of 4u8l by Molmil](/molmil-images/mine/4u8l) | Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant N207A | Descriptor: | 1,2-ETHANEDIOL, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ... | Authors: | Qureshi, I.A, Chaudhary, R, Tanner, J.J. | Deposit date: | 2014-08-03 | Release date: | 2014-12-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics. Biochemistry, 53, 2014
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7PB2
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![BU of 7pb2 by Molmil](/molmil-images/mine/7pb2) | Crystal structure of JDI TCR in complex with HLA-A*11:01 bound to KRAS G12D peptide (VVVGADGVGK) | Descriptor: | Beta-2-microglobulin, KRAS G12D peptide (VVVGADGVGK), MHC class I antigen, ... | Authors: | Coles, C.H, Karuppiah, V, Robinson, R.A. | Deposit date: | 2021-07-30 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.41 Å) | Cite: | Therapeutic high affinity T cell receptor targeting a KRASG12D cancer neoantigen Nat Commun, 13, 2022
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7OW5
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![BU of 7ow5 by Molmil](/molmil-images/mine/7ow5) | |
7OW6
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![BU of 7ow6 by Molmil](/molmil-images/mine/7ow6) | |
7OW3
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![BU of 7ow3 by Molmil](/molmil-images/mine/7ow3) | |
7OW4
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![BU of 7ow4 by Molmil](/molmil-images/mine/7ow4) | Crystal structure of HLA-A*11:01 in complex with KRAS G12D peptide (VVVGADGVGK) | Descriptor: | Beta-2-microglobulin, KRAS G12D peptide (VVVGADGVGK), MHC class I antigen, ... | Authors: | Coles, C.H, Karuppiah, V, Robinson, R.A. | Deposit date: | 2021-06-16 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Therapeutic high affinity T cell receptor targeting a KRASG12D cancer neoantigen Nat Commun, 13, 2022
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4TWJ
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![BU of 4twj by Molmil](/molmil-images/mine/4twj) | The structure of Sir2Af2 bound to a myristoylated histone peptide | Descriptor: | ACETATE ION, GLYCEROL, Histone H4 peptide, ... | Authors: | Ringel, A.E, Roman, C, Wolberger, C. | Deposit date: | 2014-06-30 | Release date: | 2014-12-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Alternate deacylating specificities of the archaeal sirtuins Sir2Af1 and Sir2Af2. Protein Sci., 23, 2014
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4TYN
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![BU of 4tyn by Molmil](/molmil-images/mine/4tyn) | DEAD-box helicase Mss116 bound to ssDNA and ADP-BeF | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase MSS116, mitochondrial, ... | Authors: | Mallam, A.L, Sidote, D.J, Lambowitz, A.M. | Deposit date: | 2014-07-08 | Release date: | 2014-12-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.959 Å) | Cite: | Molecular insights into RNA and DNA helicase evolution from the determinants of specificity for a DEAD-box RNA helicase. Elife, 3, 2014
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4TYX
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![BU of 4tyx by Molmil](/molmil-images/mine/4tyx) | Structure of aquoferric sperm whale myoglobin L29H/F33Y/F43H/S92A mutant | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Bhagi-Damodaran, A, Petrik, I.D, Robinson, H, Lu, Y. | Deposit date: | 2014-07-09 | Release date: | 2014-08-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Systematic tuning of heme redox potentials and its effects on O2 reduction rates in a designed oxidase in myoglobin. J.Am.Chem.Soc., 136, 2014
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7OOO
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![BU of 7ooo by Molmil](/molmil-images/mine/7ooo) | The crystal structure of a DNA:RNA hybrid duplex sequence CTTTTCTTTG containing an LNA-Amide-LNA modification | Descriptor: | DNA (5'-D(*CP*TP*(05A)P*TP*CP*TP*TP*TP*G)-3'), MAGNESIUM ION, RNA (5'-R(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3') | Authors: | Thorpe, C, Hardwick, J, McDonough, M.A, Hall, J.P, Baker, Y.R, El-Sagheer, A.H, Brown, T. | Deposit date: | 2021-05-28 | Release date: | 2022-08-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | An LNA-amide modification that enhances the cell uptake and activity of phosphorothioate exon-skipping oligonucleotides. Nat Commun, 13, 2022
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7P85
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4TVH
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![BU of 4tvh by Molmil](/molmil-images/mine/4tvh) | HIV Protease (PR) dimer in closed form with TL-3 in active site and fragment AK-2097 in the outside/top of flap | Descriptor: | 3-(morpholin-4-ylmethyl)-1H-indole-6-carboxylic acid, BETA-MERCAPTOETHANOL, Protease, ... | Authors: | Tiefenbrunn, T, Kislukhin, A, Finn, M.G, Stout, C.D. | Deposit date: | 2014-06-26 | Release date: | 2014-09-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.195 Å) | Cite: | Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease. J.Phys.Chem.B, 119, 2015
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4TYL
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![BU of 4tyl by Molmil](/molmil-images/mine/4tyl) | Fragment-Based Screening of the Bromodomain of ATAD2 | Descriptor: | 5-amino-1,3,6-trimethyl-1,3-dihydro-2H-benzimidazol-2-one, ATPase family AAA domain-containing protein 2, CHLORIDE ION, ... | Authors: | Harner, M.J, Chauder, B.A, Phan, J, Fesik, S.W. | Deposit date: | 2014-07-08 | Release date: | 2014-10-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Fragment-Based Screening of the Bromodomain of ATAD2. J.Med.Chem., 57, 2014
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4U67
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![BU of 4u67 by Molmil](/molmil-images/mine/4u67) | Crystal structure of the large ribosomal subunit (50S) of Deinococcus radiodurans containing a three residue insertion in L22 | Descriptor: | 23s RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Wekselman, I, Zimmerman, E, Rozenberg, H, Bashan, A, Yonath, A. | Deposit date: | 2014-07-28 | Release date: | 2015-08-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.65 Å) | Cite: | The Ribosomal Protein uL22 Modulates the Shape of the Protein Exit Tunnel. Structure, 25, 2017
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4UA6
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4UCU
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![BU of 4ucu by Molmil](/molmil-images/mine/4ucu) | Fragment bound to H.influenza NAD dependent DNA ligase | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxyquinoline-2-carboxylic acid, DNA LIGASE | Authors: | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | Deposit date: | 2014-12-04 | Release date: | 2015-10-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors Tetrahedron Lett., 56, 2015
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4U25
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![BU of 4u25 by Molmil](/molmil-images/mine/4u25) | Crystal structure of the E. coli ribosome bound to virginiamycin M1. | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Noeske, J, Huang, J, Olivier, N.B, Giacobbe, R.A, Zambrowski, M, Cate, J.H.D. | Deposit date: | 2014-07-16 | Release date: | 2014-07-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Synergy of streptogramin antibiotics occurs independently of their effects on translation. Antimicrob.Agents Chemother., 58, 2014
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4U38
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![BU of 4u38 by Molmil](/molmil-images/mine/4u38) | RNA duplex containing UU mispair | Descriptor: | RNA (5'-R(*GP*GP*UP*GP*CP*UP*A)-3'), RNA (5'-R(*UP*AP*GP*CP*UP*CP*C)-3') | Authors: | Sheng, J, Larsen, A, Heuberger, B, Blain, J.C, Szostak, J.W. | Deposit date: | 2014-07-18 | Release date: | 2014-08-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure Studies of RNA Duplexes Containing s(2)U:A and s(2)U:U Base Pairs. J.Am.Chem.Soc., 136, 2014
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6XZ7
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![BU of 6xz7 by Molmil](/molmil-images/mine/6xz7) | E. coli 50S ribosomal subunit in complex with dirithromycin, fMet-Phe-tRNA(Phe) and deacylated tRNA(iMet). | Descriptor: | 23S rRNA, 50S ribosomal protein L10, 50S ribosomal protein L11, ... | Authors: | Pichkur, E.B, Polikanov, Y.S, Myasnikov, A.G, Konevega, A.L. | Deposit date: | 2020-02-03 | Release date: | 2020-07-22 | Method: | ELECTRON MICROSCOPY (2.1 Å) | Cite: | Insights into the improved macrolide inhibitory activity from the high-resolution cryo-EM structure of dirithromycin bound to theE. coli70S ribosome. Rna, 26, 2020
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4U9D
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![BU of 4u9d by Molmil](/molmil-images/mine/4u9d) | |
4UAL
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![BU of 4ual by Molmil](/molmil-images/mine/4ual) | MRCK beta in complex with BDP00005290 | Descriptor: | 1,2-ETHANEDIOL, 4-chloro-1-(piperidin-4-yl)-N-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-1H-pyrazole-3-carboxamide, CHLORIDE ION, ... | Authors: | Schuettelkopf, A.W. | Deposit date: | 2014-08-10 | Release date: | 2014-10-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | A novel small-molecule MRCK inhibitor blocks cancer cell invasion. Cell Commun. Signal, 12, 2014
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7P4O
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![BU of 7p4o by Molmil](/molmil-images/mine/7p4o) | Crystal structure of Autotaxin and 9(R)-delta6a,10a-THC | Descriptor: | (9~{R},10~{a}~{S})-6,6,9-trimethyl-3-pentyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, ... | Authors: | Eymery, M.C, McCarthy, A.A, Hausmann, J. | Deposit date: | 2021-07-12 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Linking medicinal cannabis to autotaxin-lysophosphatidic acid signaling. Life Sci Alliance, 6, 2023
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4UAT
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![BU of 4uat by Molmil](/molmil-images/mine/4uat) | Crystal structure of CbbY (mutant D10N) from Rhodobacter sphaeroides in complex with Xylulose-(1,5)bisphosphate, crystal form I | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Protein CbbY, ... | Authors: | Bracher, A, Sharma, A, Starling-Windhof, A, Hartl, F.U, Hayer-Hartl, M. | Deposit date: | 2014-08-11 | Release date: | 2014-12-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Degradation of potent Rubisco inhibitor by selective sugar phosphatase. Nat.Plants, 1, 2015
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