6X9K
 
 | | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3685032A | | Descriptor: | (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-phenylacetamide, 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), ... | | Authors: | Pathuri, S, Horton, J.R, Cheng, X. | | Deposit date: | 2020-06-02 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia.
Nat Cancer, 2, 2021
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6X9J
 | | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3830052 | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*G)-R(P*(PYO))-D(P*GP*GP*CP*CP*TP*C)-3'), ... | | Authors: | Pathuri, S, Horton, J.R, Cheng, X. | | Deposit date: | 2020-06-02 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia.
Nat Cancer, 2, 2021
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6UKH
 | | HhaI endonuclease in Complex with DNA in space group P41212 (pH 6.0) | | Descriptor: | CALCIUM ION, DNA (5'-D(*CP*CP*AP*AP*GP*CP*GP*CP*AP*AP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*TP*TP*GP*CP*GP*CP*TP*TP*GP*G)-3'), ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2019-10-04 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Structure of HhaI endonuclease with cognate DNA at an atomic resolution of 1.0 angstrom.
Nucleic Acids Res., 48, 2020
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6WIA
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3K6T
 | | Crystal structure of the GLD-1 homodimerization domain from Caenorhabditis elegans at 2.04 A resolution | | Descriptor: | Female germline-specific tumor suppressor gld-1 | | Authors: | Beuck, C, Szymczyna, B.R, Kerkow, D.E, Carmel, A.B, Columbus, L, Stanfield, R.L, Williamson, J.R. | | Deposit date: | 2009-10-09 | | Release date: | 2010-03-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structure of the GLD-1 homodimerization domain: insights into STAR protein-mediated translational regulation.
Structure, 18, 2010
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1RZW
 | | The Solution Structure of the Archaeglobus fulgidis protein AF2095. Northeast Structural Genomics Consortium target GR4 | | Descriptor: | Protein AF2095(GR4) | | Authors: | Powers, R, Acton, T.B, Huang, Y.J, Liu, J, Ma, L, Rost, B, Chiang, Y, Cort, J.R, Kennedy, M.A, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2003-12-29 | | Release date: | 2004-11-16 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of Archaeglobus fulgidis peptidyl-tRNA hydrolase (Pth2) provides evidence for an extensive conserved family of Pth2 enzymes in archea, bacteria, and eukaryotes
Protein Sci., 14, 2005
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6XZD
 | | Influenza C virus polymerase complex without chicken ANP32A - Subclass 2 | | Descriptor: | Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(*AP*GP*UP*AP*GP*AP*AP*AP*CP*AP*AP*GP*GP*GP*CP*CP*CP*UP*GP*C)-3'), ... | | Authors: | Keown, J.R, Carrique, L, Fan, H, Grimes, J.M, Fodor, E. | | Deposit date: | 2020-02-04 | | Release date: | 2020-12-23 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Host ANP32A mediates the assembly of the influenza virus replicase.
Nature, 587, 2020
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3J34
 | | Structure of HIV-1 Capsid Protein by Cryo-EM | | Descriptor: | capsid protein | | Authors: | Zhao, G, Perilla, J.R, Yufenyuy, E, Meng, X, Chen, B, Ning, J, Ahn, J, Gronenborn, A.M, Schulten, K, Aiken, C, Zhang, P. | | Deposit date: | 2013-02-23 | | Release date: | 2013-05-29 | | Last modified: | 2018-07-18 | | Method: | ELECTRON MICROSCOPY (8.6 Å) | | Cite: | Mature HIV-1 capsid structure by cryo-electron microscopy and all-atom molecular dynamics.
Nature, 497, 2013
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3J3I
 | | Penicillium chrysogenum virus (PcV) capsid structure | | Descriptor: | Capsid protein | | Authors: | Luque, D, Gomez-Blanco, J, Garriga, D, Brilot, A, Gonzalez, J.M, Havens, W.H, Carrascosa, J.L, Trus, B.L, Verdaguer, N, Grigorieff, N, Ghabrial, S.A, Caston, J.R. | | Deposit date: | 2013-03-08 | | Release date: | 2014-05-14 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Cryo-EM near-atomic structure of a dsRNA fungal virus shows ancient structural motifs preserved in the dsRNA viral lineage.
Proc.Natl.Acad.Sci.USA, 111, 2014
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6X63
 | | Atomic-Resolution Structure of HIV-1 Capsid Tubes by Magic Angle Spinning NMR | | Descriptor: | HIV-1 capsid protein | | Authors: | Lu, M, Russell, R.W, Bryer, A, Quinn, C.M, Hou, G, Zhang, H, Schwieters, C.D, Perilla, J.R, Gronenborn, A.M, Polenova, T. | | Deposit date: | 2020-05-27 | | Release date: | 2020-09-02 | | Last modified: | 2024-05-15 | | Method: | SOLID-STATE NMR | | Cite: | Atomic-resolution structure of HIV-1 capsid tubes by magic-angle spinning NMR.
Nat.Struct.Mol.Biol., 27, 2020
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3MBW
 | | Crystal structure of the human ephrin A2 LBD and CRD domains in complex with ephrin A1 | | Descriptor: | Ephrin type-A receptor 2, Ephrin-A1, UNKNOWN ATOM OR ION, ... | | Authors: | Walker, J.R, Yermekbayeva, L, Seitova, A, Butler-Cole, C, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-03-26 | | Release date: | 2010-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Architecture of Eph receptor clusters.
Proc.Natl.Acad.Sci.USA, 107, 2010
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6SE1
 | | Structure of Salmonella ser. Paratyphi A lipopolysaccharide acetyltransferase periplasmic domain | | Descriptor: | DI(HYDROXYETHYL)ETHER, Putative lipopolysaccharide modification acyltransferase, SULFATE ION | | Authors: | Tindall, S.N, Pearson, C, Herman, R, Jenkins, H.T, Thomas, G.H, Potts, J.R, Van der Woude, M. | | Deposit date: | 2019-07-29 | | Release date: | 2020-08-26 | | Last modified: | 2020-09-16 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Acetylation of Surface Carbohydrates in Bacterial Pathogens Requires Coordinated Action of a Two-Domain Membrane-Bound Acyltransferase.
Mbio, 11, 2020
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6XZR
 | | Influenza C virus polymerase in complex with chicken ANP32A - Subclass 1 | | Descriptor: | LRRcap domain-containing protein, Polymerase acidic protein, Polymerase basic protein 2, ... | | Authors: | Carrique, L, Keown, J.R, Fan, H, Grimes, J.M, Fodor, E. | | Deposit date: | 2020-02-05 | | Release date: | 2020-11-25 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Host ANP32A mediates the assembly of the influenza virus replicase.
Nature, 587, 2020
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6XZQ
 | | Influenza C virus polymerase in complex with human ANP32A - Subclass 1 | | Descriptor: | Acidic leucine-rich nuclear phosphoprotein 32 family member A, Polymerase acidic protein, Polymerase basic protein 2, ... | | Authors: | Fan, H, Carrique, L, Keown, J.R, Grimes, J.M, Fodor, E. | | Deposit date: | 2020-02-05 | | Release date: | 2020-11-25 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Host ANP32A mediates the assembly of the influenza virus replicase.
Nature, 587, 2020
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3MKH
 | | Podospora anserina Nitroalkane Oxidase | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, NITROALKANE OXIDASE, ... | | Authors: | Tormos, J.R, Taylor, A.B, Daubner, S.C, Hart, P.J, Fitzpatrick, P.F. | | Deposit date: | 2010-04-14 | | Release date: | 2010-06-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.995 Å) | | Cite: | Identification of a hypothetical protein from Podospora anserina as a nitroalkane oxidase.
Biochemistry, 49, 2010
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6SX1
 | | Structure of Rib Standard, a Rib domain from Lactobacillus acidophilus | | Descriptor: | Surface protein | | Authors: | Cooper, R.E.M, Griffiths, S.C, Turkenburg, J.P, Bateman, A, Potts, J.R. | | Deposit date: | 2019-09-24 | | Release date: | 2019-12-18 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Defining the remarkable structural malleability of a bacterial surface protein Rib domain implicated in infection.
Proc.Natl.Acad.Sci.USA, 116, 2019
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3L1Z
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3L4H
 | | Helical box domain and second WW domain of the human E3 ubiquitin-protein ligase HECW1 | | Descriptor: | ACETIC ACID, E3 ubiquitin-protein ligase HECW1 | | Authors: | Walker, J.R, Qiu, L, Li, Y, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Botchkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-12-20 | | Release date: | 2010-05-05 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The tandem helical box and second WW domains of human HECW1
To be Published
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6JEO
 | | Structure of PSI tetramer from Anabaena | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | | Authors: | Kato, K, Nagao, R, Shen, J.R, Miyazaki, N, Akita, F. | | Deposit date: | 2019-02-06 | | Release date: | 2019-11-13 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure of a cyanobacterial photosystem I tetramer revealed by cryo-electron microscopy.
Nat Commun, 10, 2019
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3KVB
 | | Structure of KIAA1718 Jumonji domain in complex with N-oxalylglycine | | Descriptor: | JmjC domain-containing histone demethylation protein 1D, N-OXALYLGLYCINE, NICKEL (II) ION, ... | | Authors: | Horton, J.R, Upadhyay, A.K, Qi, H.H, Zhang, X, Shi, Y, Cheng, X. | | Deposit date: | 2009-11-29 | | Release date: | 2009-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Enzymatic and structural insights for substrate specificity of a family of jumonji histone lysine demethylases.
Nat.Struct.Mol.Biol., 17, 2010
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6J40
 | | Structure of C2S2M2-type PSII-FCPII supercomplex from diatom | | Descriptor: | (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Nagao, R, Kato, K, Shen, J.R, Miyazaki, N, Akita, F. | | Deposit date: | 2019-01-07 | | Release date: | 2019-08-07 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural basis for energy harvesting and dissipation in a diatom PSII-FCPII supercomplex.
Nat.Plants, 5, 2019
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6JLN
 | | XFEL structure of cyanobacterial photosystem II (1F state, dataset2) | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Suga, M, Shen, J.R. | | Deposit date: | 2019-03-06 | | Release date: | 2019-10-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019
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3L19
 | | Crystal structure of calcium binding domain of CpCDPK3, cgd5_820 | | Descriptor: | CALCIUM ION, Calcium/calmodulin dependent protein kinase with a kinase domain and 4 calmodulin like EF hands, GLYCEROL, ... | | Authors: | Qiu, W, Hutchinson, A, Wernimont, A, Walker, J.R, Sullivan, H, Lin, Y.-H, Mackenzie, F, Kozieradzki, I, Cossar, D, Schapira, M, Senisterra, G, Vedadi, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-12-11 | | Release date: | 2009-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Crystal structure of calcium binding domain of CpCDPK3, cgd5_820
To be Published
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6UT2
 | | 3D structure of the leiomodin/tropomyosin binding interface | | Descriptor: | Leiomodin-2, Tropomyosin alpha-1 chain chimeric peptide | | Authors: | Tolkatchev, D, Smith, G.E, Helms, G.L, Cort, J.R, Kostyukova, A.S. | | Deposit date: | 2019-10-29 | | Release date: | 2020-09-30 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Leiomodin creates a leaky cap at the pointed end of actin-thin filaments.
Plos Biol., 18, 2020
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6MBP
 | | GLP Methyltransferase with Inhibitor EML741- P3121 Crystal Form | | Descriptor: | 1,2-ETHANEDIOL, 2-cyclohexyl-7-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3H-1,4-benzodiazepin-5-amine, Histone-lysine N-methyltransferase EHMT1, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2018-08-30 | | Release date: | 2019-02-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.947 Å) | | Cite: | Discovery of a Novel Chemotype of Histone Lysine Methyltransferase EHMT1/2 (GLP/G9a) Inhibitors: Rational Design, Synthesis, Biological Evaluation, and Co-crystal Structure.
J. Med. Chem., 62, 2019
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