6Z52
| Crystal structure of CLK3 in complex with macrocycle ODS2003136 | Descriptor: | 1,2-ETHANEDIOL, 11,15-dimethyl-6-(4-methylpiperazin-1-yl)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, CHLORIDE ION, ... | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-05-26 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Crystal structure of CLK3 in complex with macrocycle ODS2003136 To Be Published
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1JB4
| CRYSTAL STRUCTURE OF NTF2 M102E MUTANT | Descriptor: | NUCLEAR TRANSPORT FACTOR 2 | Authors: | Chaillan-Huntington, C, Butler, P.J, Huntington, J.A, Akin, D, Feldherr, C, Stewart, M. | Deposit date: | 2001-06-01 | Release date: | 2002-03-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | NTF2 monomer-dimer equilibrium. J.Mol.Biol., 314, 2001
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6ZGG
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4RTI
| The crystal structure of PsbP from Spinacia oleracea | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, Oxygen-evolving enhancer protein 2, ... | Authors: | Cao, P, Xie, Y, Li, M, Pan, X.W, Zhang, H.M, Zhao, X.L, Su, X.D, Cheng, T, Chang, W. | Deposit date: | 2014-11-15 | Release date: | 2015-03-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure analysis of extrinsic PsbP protein of photosystem II reveals a manganese-induced conformational change. Mol Plant, 8, 2015
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4NWI
| Crystal structure of cytosolic 5'-nucleotidase IIIB (cN-IIIB) bound to cytidine | Descriptor: | 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, 7-methylguanosine phosphate-specific 5'-nucleotidase, CHLORIDE ION, ... | Authors: | Monecke, T, Neumann, P, Ficner, R. | Deposit date: | 2013-12-06 | Release date: | 2014-03-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal Structures of the Novel Cytosolic 5'-Nucleotidase IIIB Explain Its Preference for m7GMP Plos One, 9, 2014
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4NE6
| Human MHF1-MHF2 complex | Descriptor: | Centromere protein S, Centromere protein X | Authors: | Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y. | Deposit date: | 2013-10-28 | Release date: | 2013-12-25 | Last modified: | 2014-02-12 | Method: | X-RAY DIFFRACTION (2.1001 Å) | Cite: | The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes. Nat Commun, 5, 2014
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6MVP
| HCV NS5B 1b N316 bound to Compound 18 | Descriptor: | (4-{[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}phenyl)boronic acid, Genome polyprotein | Authors: | Williams, S.P, Kahler, K, Price, D.J, Peat, A.J. | Deposit date: | 2018-10-26 | Release date: | 2019-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor. J.Med.Chem., 62, 2019
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6VLF
| Crystal structure of mouse alpha 1,6-fucosyltransferase, FUT8 in its Apo-form | Descriptor: | 1,2-ETHANEDIOL, Alpha-(1,6)-fucosyltransferase, SULFATE ION | Authors: | Jarva, M.A, Dramicanin, M, Lingford, J.P, Mao, R, John, A, Goddard-Borger, E. | Deposit date: | 2020-01-23 | Release date: | 2020-02-26 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of substrate recognition and catalysis by fucosyltransferase 8. J.Biol.Chem., 295, 2020
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4NX7
| single cryogenic temperature model of DHFR | Descriptor: | BETA-MERCAPTOETHANOL, Dihydrofolate reductase, FOLIC ACID, ... | Authors: | Fenwick, R.B, van den Bedem, H, Fraser, J.S, Wright, P.E. | Deposit date: | 2013-12-08 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Integrated description of protein dynamics from room-temperature X-ray crystallography and NMR. Proc.Natl.Acad.Sci.USA, 111, 2014
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4RZ0
| Crystal Structure of Plasmodium falciparum putative histone methyltransferase PFL0690c | Descriptor: | PFL0690c, UNKNOWN ATOM OR ION | Authors: | Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, He, H, Ravichandran, M, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, Lin, Y.H, Structural Genomics Consortium (SGC) | Deposit date: | 2014-12-17 | Release date: | 2015-01-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.487 Å) | Cite: | Crystal Structure of Plasmodium falciparum putative histone methyltransferase PFL0690c To be Published
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4NI6
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4O24
| DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities | Descriptor: | (5~{Z})-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one, Exonuclease, putative, ... | Authors: | Shibata, A, Moiani, D, Arvai, A.S, Perry, J, Harding, S.M, Genois, M, Maity, R, Rossum-Fikkert, S, Kertokalio, A, Romoli, F, Ismail, A, Ismalaj, E, Petricci, E, Neale, M.J, Bristow, R.G, Masson, J, Wyman, C, Jeggo, P.A, Tainer, J.A. | Deposit date: | 2013-12-16 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities. Mol.Cell, 53, 2014
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4S1R
| Crystal structure of a VRC01-lineage antibody, 45-VRC01.H08.F-117225, in complex with clade A/E HIV-1 gp120 core | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab of VRC01 light chain, Fab of VRC01-lineage antibody,45-VRC01.H08.F-117225 heavy chain, ... | Authors: | Kwon, Y.D, Yang, Y, Zhang, B, Kwong, P.D. | Deposit date: | 2015-01-14 | Release date: | 2015-04-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.214 Å) | Cite: | Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection. Cell(Cambridge,Mass.), 161, 2015
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4NJT
| Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease | Authors: | Yedidi, R.S, Garimella, H, Chang, S.B, Kaufman, J.D, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2013-11-11 | Release date: | 2014-04-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A Conserved Hydrogen-Bonding Network of P2 bis-Tetrahydrofuran-Containing HIV-1 Protease Inhibitors (PIs) with a Protease Active-Site Amino Acid Backbone Aids in Their Activity against PI-Resistant HIV. Antimicrob.Agents Chemother., 58, 2014
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3KAB
| Structure-guided design of alpha-amino acid-derived Pin1 inhibitors | Descriptor: | 6-methyl-1H-indole-2-carboxylic acid, DODECAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | Authors: | Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D. | Deposit date: | 2009-10-19 | Release date: | 2009-12-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structure-guided design of alpha-amino acid-derived Pin1 inhibitors Bioorg.Med.Chem.Lett., 20, 2010
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4S2G
| Joint X-ray/neutron structure of Trichoderma reesei xylanase II at pH 5.8 | Descriptor: | Endo-1,4-beta-xylanase 2, IODIDE ION | Authors: | Kovalevsky, A, Wan, Q, Langan, P. | Deposit date: | 2015-01-20 | Release date: | 2015-09-23 | Last modified: | 2019-12-25 | Method: | NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION | Cite: | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography. Proc.Natl.Acad.Sci.USA, 112, 2015
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3J9D
| Atomic structure of a non-enveloped virus reveals pH sensors for a coordinated process of cell entry | Descriptor: | Outer capsid protein VP2, ZINC ION | Authors: | Zhang, X, Patel, A, Celma, C, Roy, P, Zhou, Z.H. | Deposit date: | 2015-01-09 | Release date: | 2015-12-09 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Atomic model of a nonenveloped virus reveals pH sensors for a coordinated process of cell entry. Nat.Struct.Mol.Biol., 23, 2016
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3JB8
| Insight into Three-dimensional structure of Maize Chlorotic Mottle Virus Revealed by Single Particle Analysis | Descriptor: | Coat protein | Authors: | Wang, C.Y, Zhang, Q.F, Gao, Y.Z, Zhou, X.P, Ji, G, Huang, X.J, Hong, J, Zhang, C.X. | Deposit date: | 2015-08-04 | Release date: | 2016-07-13 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Insight into the three-dimensional structure of maize chlorotic mottle virus revealed by Cryo-EM single particle analysis. Virology, 485, 2015
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4NOB
| Crystal structure of the 1st Ig domain from mouse Polymeric Immunoglobulin receptor [PSI-NYSGRC-006220] | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ... | Authors: | Kumar, P.R, Banu, R, Bhosle, R, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S.J, Glenn, A.S, Hillerich, B, Khafizov, K, Attonito, J, Love, J.D, Patel, H, Patel, R, Seidel, R.D, Smith, B, Stead, M, Casadevall, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | Deposit date: | 2013-11-19 | Release date: | 2013-12-04 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Crystal structure of the 1st Ig domain from mouse Polymeric Immunoglobulin receptor to be published
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6CMP
| Closed structure of inactive SHP2 mutant C459E | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Padua, R.A.P, Sun, Y, Marko, I, Pitsawong, W, Kern, D. | Deposit date: | 2018-03-06 | Release date: | 2018-11-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2. Nat Commun, 9, 2018
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6VTV
| Crystal structure of PuuD gamma-glutamyl-gamma-aminobutyrate hydrolase from E. coli | Descriptor: | Gamma-glutamyl-gamma-aminobutyrate hydrolase PuuD, MANGANESE (II) ION | Authors: | Stogios, P.J, EVDOKIMOVA, E, DI LEO, R, SAVCHENKO, A, JOACHIMIAK, A, SATCHELL, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-02-13 | Release date: | 2020-02-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | PuuD gamma-glutamyl-gamma-aminobutyrate hydrolase To Be Published
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6MP2
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4PJS
| Crystal structure of designed (SeMet)-cPPR-NRE protein | Descriptor: | CALCIUM ION, Pentatricopeptide repeat protein | Authors: | Coquille, S.C, Filipovska, A, Chia, T.S, Rajappa, L, Lingford, J.P, Razif, M.F.M, Thore, S, Rackham, O. | Deposit date: | 2014-05-12 | Release date: | 2014-12-24 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | An artificial PPR scaffold for programmable RNA recognition. Nat Commun, 5, 2014
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3J9O
| CryoEM structure of a type VI secretion system | Descriptor: | Intracellular growth locus protein A, Intracellular growth locus protein B | Authors: | Clemens, D.L, Ge, P, Lee, B.-Y, Horwitz, M.A, Zhou, Z.H. | Deposit date: | 2015-02-11 | Release date: | 2015-03-18 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Atomic Structure of T6SS Reveals Interlaced Array Essential to Function. Cell(Cambridge,Mass.), 160, 2015
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6MVO
| HCV NS5B 1A Y316 bound to Compound 49 | Descriptor: | 6-[(7-chloro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)(methylsulfonyl)amino]-5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide, RNA-directed RNA polymerase, SULFATE ION | Authors: | Williams, S.P, Kahler, K, Price, D.J, Peat, A.J. | Deposit date: | 2018-10-26 | Release date: | 2019-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor. J.Med.Chem., 62, 2019
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