4M1S
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![BU of 4m1s by Molmil](/molmil-images/mine/4m1s) | Crystal Structure of small molecule vinylsulfonamide 13 covalently bound to K-Ras G12C | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase, N-{1-[N-(2,4-dichlorophenyl)glycyl]piperidin-4-yl}ethanesulfonamide | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | Deposit date: | 2013-08-04 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.552 Å) | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature, 503, 2013
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4M29
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![BU of 4m29 by Molmil](/molmil-images/mine/4m29) | Structure of a GH39 Beta-xylosidase from Caulobacter crescentus | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-xylosidase | Authors: | Polo, C.C, Santos, C.R, Correa, J.M, Simao, R.C.G, Seixas, F.A.V, Murakami, M.T. | Deposit date: | 2013-08-05 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of a GH39 Beta-xylosidase from Caulobacter crescentus Thesis
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4M7I
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![BU of 4m7i by Molmil](/molmil-images/mine/4m7i) | Crystal Structure of GSK6157 Bound to PERK (R587-R1092, delete A660-T867) at 2.34A Resolution | Descriptor: | 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-1H-indol-1-yl]-2-(6-methylpyridin-2-yl)ethanone, Eukaryotic translation initiation factor 2-alpha kinase 3 | Authors: | Gampe, R.T, Axten, J.M. | Deposit date: | 2013-08-12 | Release date: | 2014-09-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Discovery of 5-{4-fluoro-1-[(6-methyl-2-pyridinyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2656157), a Potent and Selective PERK Inhibitor Selected for Preclinical Development To be Published
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4LZD
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![BU of 4lzd by Molmil](/molmil-images/mine/4lzd) | Human DNA polymerase mu- Apoenzyme | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DNA-directed DNA/RNA polymerase mu, ... | Authors: | Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C. | Deposit date: | 2013-07-31 | Release date: | 2014-02-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.849 Å) | Cite: | Sustained active site rigidity during synthesis by human DNA polymerase mu. Nat.Struct.Mol.Biol., 21, 2014
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4P5Y
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![BU of 4p5y by Molmil](/molmil-images/mine/4p5y) | Structure of CBM32-3 from a family 31 glycoside hydrolase from Clostridium perfringens in complex with N-acetylgalactosamine | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose, CALCIUM ION, Glycosyl hydrolase, ... | Authors: | Grondin, J.M, Allingham, J.S, Boraston, A.B, Smith, S.P. | Deposit date: | 2014-03-04 | Release date: | 2015-10-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Diverse modes of galacto-specific carbohydrate recognition by a family 31 glycoside hydrolase from Clostridium perfringens. PLoS ONE, 12, 2017
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4PFM
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![BU of 4pfm by Molmil](/molmil-images/mine/4pfm) | SHEWANELLA BENTHICA DHDPS WITH LYSINE AND PYRUVATE | Descriptor: | 4-hydroxy-tetrahydrodipicolinate synthase, CITRATE ANION, GLYCEROL, ... | Authors: | Wubben, J.M, Paxman, J.J, Dogovski, C, Panjikar, S, Perugini, M.A. | Deposit date: | 2014-04-30 | Release date: | 2015-05-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.327 Å) | Cite: | Defining a Molecular Determinant of Lysine-Mediated Allosteric Inhibition of DHDPS. To Be Published
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4PQI
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![BU of 4pqi by Molmil](/molmil-images/mine/4pqi) | Crystal structure of glutathione transferase lambda3 from Populus trichocarpa | Descriptor: | CALCIUM ION, GLUTATHIONE, In2-1 family protein, ... | Authors: | Lallement, P.A, Meux, E, Gualberto, J.M, Prosper, P, Didierjean, C, Haouz, A, Saul, F, Rouhier, N, Hecker, A. | Deposit date: | 2014-03-03 | Release date: | 2014-06-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and enzymatic insights into Lambda glutathione transferases from Populus trichocarpa, monomeric enzymes constituting an early divergent class specific to terrestrial plants. Biochem.J., 462, 2014
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1NJP
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![BU of 1njp by Molmil](/molmil-images/mine/1njp) | The crystal structure of the 50S Large ribosomal subunit from Deinococcus radiodurans complexed with a tRNA acceptor stem mimic (ASM) | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L16, GENERAL STRESS PROTEIN CTC, ... | Authors: | Bashan, A, Agmon, I, Zarivatch, R, Schluenzen, F, Harms, J.M, Berisio, R, Bartels, H, Hansen, H.A, Yonath, A. | Deposit date: | 2003-01-02 | Release date: | 2003-02-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural basis of the ribosomal machinery for Peptide bond formation,
translocation, and nascent chain progression Mol.Cell, 11, 2003
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1NIN
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![BU of 1nin by Molmil](/molmil-images/mine/1nin) | PLASTOCYANIN FROM ANABAENA VARIABILIS, NMR, 20 STRUCTURES | Descriptor: | COPPER (II) ION, PLASTOCYANIN | Authors: | Badsberg, U, Jorgensen, A.M.M, Gesmar, H, Led, J.J, Hammerstad-Petersen, J.M, Ulstrup, J. | Deposit date: | 1996-03-13 | Release date: | 1996-10-14 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of reduced plastocyanin from the blue-green alga Anabaena variabilis. Biochemistry, 35, 1996
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7KEN
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1NJN
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![BU of 1njn by Molmil](/molmil-images/mine/1njn) | The crystal structure of the 50S Large ribosomal subunit from Deinococcus radiodurans complexed with the antibiotic sparsomycin | Descriptor: | 23S ribosomal RNA, SPARSOMYCIN | Authors: | Bashan, A, Agmon, I, Zarivatch, R, Schluenzen, F, Harms, J.M, Berisio, R, Bartels, H, Hansen, H.A, Yonath, A. | Deposit date: | 2003-01-02 | Release date: | 2003-02-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Structural basis of the ribosomal machinery for Peptide bond formation,
translocation, and nascent chain progression Mol.Cell, 11, 2003
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7JY2
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![BU of 7jy2 by Molmil](/molmil-images/mine/7jy2) | Z-DNA joint X-ray/Neutron | Descriptor: | Chains: A,B | Authors: | Harp, J.M, Coates, L, Egli, M. | Deposit date: | 2020-08-28 | Release date: | 2021-04-28 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION | Cite: | Water structure around a left-handed Z-DNA fragment analyzed by cryo neutron crystallography. Nucleic Acids Res., 49, 2021
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7K44
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7K9K
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7K9H
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![BU of 7k9h by Molmil](/molmil-images/mine/7k9h) | SARS-CoV-2 Spike in complex with neutralizing Fab 2B04 (one up, two down conformation) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2B04 heavy chain, ... | Authors: | Errico, J.M, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-09-29 | Release date: | 2021-09-29 | Last modified: | 2021-11-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural mechanism of SARS-CoV-2 neutralization by two murine antibodies targeting the RBD. Cell Rep, 37, 2021
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7K9I
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7K9J
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7KDQ
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2BSK
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![BU of 2bsk by Molmil](/molmil-images/mine/2bsk) | Crystal structure of the TIM9 Tim10 hexameric complex | Descriptor: | MITOCHONDRIAL IMPORT INNER MEMBRANE TRANSLOCASE SUBUNIT TIM10, MITOCHONDRIAL IMPORT INNER MEMBRANE TRANSLOCASE SUBUNIT TIM9 A | Authors: | Webb, C.T, Gorman, M.A, Lazarus, M, Ryan, M.T, Gulbis, J.M. | Deposit date: | 2005-05-23 | Release date: | 2006-01-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal Structure of the Mitochondrial Chaperone Tim910 Reveals a Six-Bladed Alpha-Propeller. Mol.Cell, 21, 2006
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2BKT
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![BU of 2bkt by Molmil](/molmil-images/mine/2bkt) | crystal structure of renin-pf00257567 complex | Descriptor: | 1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]-PHENYL}-6-(1,2,,3,4-TETRAHYDRO-QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN-2-ONE, RENIN | Authors: | Powell, N.A, Clay, E.H, Holsworth, D.D, Edmunds, J.J, Bryant, J.W, Ryan, J.M, Jalaie, M, Zhang, E. | Deposit date: | 2005-02-18 | Release date: | 2006-04-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Equipotent Activity in Both Enantiomers of a Series of Ketopiperazine-Based Renin Inhibitors Bioorg.Med.Chem.Lett., 15, 2005
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7KVB
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![BU of 7kvb by Molmil](/molmil-images/mine/7kvb) | Chimeric flavivirus between Binjari virus and Murray Valley encephalitis virus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, Matrix protein M | Authors: | Hardy, J.M, Venugopal, H.V, Newton, N.D, Watterson, D, Coulibaly, F.J. | Deposit date: | 2020-11-27 | Release date: | 2020-12-23 | Last modified: | 2021-07-14 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | A unified route for flavivirus structures uncovers essential pocket factors conserved across pathogenic viruses. Nat Commun, 12, 2021
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2BKS
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![BU of 2bks by Molmil](/molmil-images/mine/2bks) | crystal structure of Renin-PF00074777 complex | Descriptor: | (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-DIHYDROQUINOLIN-7-YL]OXY}METHYL)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-2-ONE, Renin | Authors: | Powell, N.A, Clay, E.H, Holsworth, D.D, Edmunds, J.J, Bryant, J.W, Ryan, J.M, Jalaie, M, Zhang, E. | Deposit date: | 2005-02-18 | Release date: | 2006-04-05 | Last modified: | 2021-07-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Equipotent Activity in Both Enantiomers of a Series of Ketopiperazine-Based Renin Inhibitors Bioorg.Med.Chem.Lett., 15, 2005
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5T95
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![BU of 5t95 by Molmil](/molmil-images/mine/5t95) | Prephenate Dehydrogenase M219T, N222D mutant from Soybean | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prephenate dehydrogenase 1, TYROSINE | Authors: | Holland, C.K, Jez, J.M. | Deposit date: | 2016-09-09 | Release date: | 2017-06-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.689 Å) | Cite: | Molecular basis of the evolution of alternative tyrosine biosynthetic routes in plants. Nat. Chem. Biol., 13, 2017
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5T9E
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5TE0
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![BU of 5te0 by Molmil](/molmil-images/mine/5te0) | Crystal Structure of Adaptor Protein 2 Associated Kinase (AAK1) in complex with BIBF 1120 | Descriptor: | AP2-associated protein kinase 1, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Counago, R.M, Elkins, J.M, Bountra, C, Arruda, P, Edwards, A.M, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2016-09-20 | Release date: | 2016-11-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Adaptor Protein 2 Associated Kinase (AAK1) in complex with BIBF 1120 To Be Published
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