7U32
 
 | | MVV cleaved synaptic complex (CSC) intasome at 3.4 A resolution | | Descriptor: | CALCIUM ION, DNA EV272, DNA EV273, ... | | Authors: | Shan, Z, Pye, V.E, Cherepanov, P, Lyumkis, D. | | Deposit date: | 2022-02-25 | | Release date: | 2022-05-11 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.46 Å) | | Cite: | Multivalent interactions essential for lentiviral integrase function.
Nat Commun, 13, 2022
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5LMD
 | | The crystal structure of hCA II in complex with a benzoxaborole inhibitor | | Descriptor: | 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(2-methoxy-5-methyl-phenyl)urea, Carbonic anhydrase 2, ZINC ION | | Authors: | De Simone, G, Alterio, V, Esposito, D, Di Fiore, A. | | Deposit date: | 2016-07-29 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Benzoxaborole as a new chemotype for carbonic anhydrase inhibition.
Chem.Commun.(Camb.), 52, 2016
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8DAJ
 | | Structure and Biochemistry of a Promiscuous Thermophilic Polyhydroxybutyrate Depolymerase from Lihuaxuella thermophilia | | Descriptor: | 1,2-ETHANEDIOL, Esterase, PHB depolymerase family, ... | | Authors: | Thomas, G.M, Quirk, S, Huard, D.J.E, Lieberman, R.L. | | Deposit date: | 2022-06-13 | | Release date: | 2023-02-15 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Bioplastic degradation by a polyhydroxybutyrate depolymerase from a thermophilic soil bacterium.
Protein Sci., 31, 2022
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6X6J
 | | Cryo-EM Structure of CagX and CagY within the Helicobacter pylori PR | | Descriptor: | Cag pathogenicity island protein (Cag7), Cag pathogenicity island protein (Cag8) | | Authors: | Sheedlo, M.J, Chung, J.M, Sawhney, N, Durie, C.L, Cover, T.L, Ohi, M.D, Lacy, D.B. | | Deposit date: | 2020-05-28 | | Release date: | 2020-09-30 | | Last modified: | 2021-04-14 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM reveals species-specific components within the Helicobacter pylori Cag type IV secretion system core complex.
Elife, 9, 2020
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6QNI
 | | Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Xylose Isomerase 1.0 s timepoint | | Descriptor: | COBALT (II) ION, MAGNESIUM ION, Xylose isomerase, ... | | Authors: | Mehrabi, P, Schulz, E.C, Miller, R.J.D. | | Deposit date: | 2019-02-11 | | Release date: | 2019-10-02 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.846 Å) | | Cite: | Liquid application method for time-resolved analyses by serial synchrotron crystallography.
Nat.Methods, 16, 2019
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6XHA
 | | Crystal Structure of KRAS-G12V (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF | | Descriptor: | CHLORIDE ION, GLYCEROL, Isoform 2B of GTPase KRas, ... | | Authors: | Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K. | | Deposit date: | 2020-06-18 | | Release date: | 2021-01-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation.
Nat Commun, 12, 2021
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7OCK
 | | MAT in complex with SAMH | | Descriptor: | S-adenosylmethionine synthase, SAM hydrolase | | Authors: | Simon, H, Kleiner, D, Shmulevich, F, Zarivach, R, Zalk, R, Tang, H, Ding, F, Bershtein, S. | | Deposit date: | 2021-04-27 | | Release date: | 2021-07-21 | | Last modified: | 2021-10-13 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | SAMase of Bacteriophage T3 Inactivates Escherichia coli's Methionine S -Adenosyltransferase by Forming Heteropolymers.
Mbio, 12, 2021
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8DBX
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7OJH
 | | ABCG2 topotecan turnover-1 state | | Descriptor: | (S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE, ADENOSINE-5'-TRIPHOSPHATE, Broad substrate specificity ATP-binding cassette transporter ABCG2, ... | | Authors: | Yu, Q, Ni, D, Kowal, J, Manolaridis, I, Jackson, S.M, Stahlberg, H, Locher, K.P. | | Deposit date: | 2021-05-15 | | Release date: | 2021-07-21 | | Last modified: | 2021-07-28 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structures of ABCG2 under turnover conditions reveal a key step in the drug transport mechanism.
Nat Commun, 12, 2021
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7S0U
 | | PRMT5/MEP50 crystal structure with MTA and phthalazinone fragment bound | | Descriptor: | 1,2-ETHANEDIOL, 4-(aminomethyl)phthalazin-1(2H)-one, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ... | | Authors: | Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Smith, C.R, Kulyk, S, Marx, M.A. | | Deposit date: | 2021-08-31 | | Release date: | 2022-01-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5•MTA Complex for the Treatment of MTAP -Deleted Cancers.
J.Med.Chem., 65, 2022
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7OJI
 | | ABCG2 topotecan turnover-2 state | | Descriptor: | (S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE, ADENOSINE-5'-TRIPHOSPHATE, Broad substrate specificity ATP-binding cassette transporter ABCG2, ... | | Authors: | Yu, Q, Ni, D, Kowal, J, Manolaridis, I, Jackson, S.M, Stahlberg, H, Locher, K.P. | | Deposit date: | 2021-05-16 | | Release date: | 2021-07-21 | | Last modified: | 2021-07-28 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structures of ABCG2 under turnover conditions reveal a key step in the drug transport mechanism.
Nat Commun, 12, 2021
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6NOU
 | | An scFv derived from ixekizumab | | Descriptor: | GLYCEROL, scFv derived from ixekizumab | | Authors: | Durbin, J.D, Clawson, D.K, Lu, F, Tian, Y, Lu, J, Atwell, S. | | Deposit date: | 2019-01-16 | | Release date: | 2019-06-19 | | Last modified: | 2019-08-14 | | Method: | X-RAY DIFFRACTION (1.914 Å) | | Cite: | Development of tibulizumab, a tetravalent bispecific antibody targeting BAFF and IL-17A for the treatment of autoimmune disease.
Mabs, 11, 2019
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8V7U
 | | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z729726784 | | Descriptor: | 1,2-ETHANEDIOL, 2-cyclopentyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide, DIMETHYL SULFOXIDE, ... | | Authors: | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-12-04 | | Release date: | 2023-12-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z729726784
To Be Published
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8G20
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7S1Q
 | | PRMT5/MEP50 crystal structure with MTA and a phthalazinone inhibitor bound (Compound 9) | | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, Protein arginine N-methyltransferase 5, ... | | Authors: | Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Smith, C.R, Kulyk, S, Marx, M.A. | | Deposit date: | 2021-09-02 | | Release date: | 2022-01-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5•MTA Complex for the Treatment of MTAP -Deleted Cancers.
J.Med.Chem., 65, 2022
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7NSQ
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6XEB
 | | STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH KETONE INHIBITOR (COMPOUND E) | | Descriptor: | 5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Klein, D.J, Clausen, D. | | Deposit date: | 2020-06-12 | | Release date: | 2020-08-12 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Development of a selective HDAC inhibitor aimed at reactivating the HIV latent reservoir.
Bioorg.Med.Chem.Lett., 30, 2020
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6ZXJ
 | | Fully-loaded anthrax lethal toxin in its heptameric pre-pore state, in which the third lethal factor is masked out (PA7LF3-masked) | | Descriptor: | Lethal factor, Protective antigen | | Authors: | Quentin, D, Antoni, C, Gatsogiannis, C, Raunser, S. | | Deposit date: | 2020-07-29 | | Release date: | 2020-09-02 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM structure of the fully-loaded asymmetric anthrax lethal toxin in its heptameric pre-pore state.
Plos Pathog., 16, 2020
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7O2W
 | | Structure of the C9orf72-SMCR8 complex | | Descriptor: | Guanine nucleotide exchange protein SMCR8,Guanine nucleotide exchange protein SMCR8,Maltose/maltodextrin-binding periplasmic protein, Ubiquitin-like protein SMT3,Guanine nucleotide exchange C9orf72 | | Authors: | Noerpel, J, Cavadini, S, Schenk, A.D, Graff-Meyer, A, Chao, J, Bhaskar, V. | | Deposit date: | 2021-03-31 | | Release date: | 2021-07-21 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY | | Cite: | Structure of the human C9orf72-SMCR8 complex reveals a multivalent protein interaction architecture.
Plos Biol., 19, 2021
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7SER
 | | PRMT5/MEP50 with compound 30 bound | | Descriptor: | (2M)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1H-pyrazol-5-yl}-1-benzothiophene-3-carbonitrile, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, ... | | Authors: | Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Smith, C.R, Kulyk, S, Marx, M.A. | | Deposit date: | 2021-10-01 | | Release date: | 2022-01-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5•MTA Complex for the Treatment of MTAP -Deleted Cancers.
J.Med.Chem., 65, 2022
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6XGV
 | | Crystal Structure of KRAS-G13D (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF | | Descriptor: | CHLORIDE ION, GLYCEROL, GTPase KRas, ... | | Authors: | Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K. | | Deposit date: | 2020-06-18 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation.
Nat Commun, 12, 2021
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7SES
 | | PRMT5/MEP50 with compound 29 bound | | Descriptor: | (2P)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1H-pyrazol-5-yl}naphthalene-1-carbonitrile, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, ... | | Authors: | Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Smith, C.R, Kulyk, S, Marx, M.A. | | Deposit date: | 2021-10-01 | | Release date: | 2022-01-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5•MTA Complex for the Treatment of MTAP -Deleted Cancers.
J.Med.Chem., 65, 2022
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7S1R
 | | PRMT5/MEP50 crystal structure with MTA and a phthalazinone inhibitor bound (compound (M)-31) | | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, Protein arginine N-methyltransferase 5, ... | | Authors: | Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Kulyk, S, Smith, C.R, Marx, M.A. | | Deposit date: | 2021-09-02 | | Release date: | 2022-01-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5•MTA Complex for the Treatment of MTAP -Deleted Cancers.
J.Med.Chem., 65, 2022
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7S1S
 | | PRMT5/MEP50 crystal structure with MTA and MRTX-1719 bound | | Descriptor: | (7-{(5M)-5-[3-chloro-6-cyano-5-(cyclopropyloxy)-2-fluorophenyl]-1-methyl-1H-pyrazol-4-yl}-4-oxo-3,4-dihydrophthalazin-1-yl)methanaminium, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, ... | | Authors: | Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Kulyk, S, Smith, C.R, Marx, M.A. | | Deposit date: | 2021-09-02 | | Release date: | 2022-01-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5•MTA Complex for the Treatment of MTAP -Deleted Cancers.
J.Med.Chem., 65, 2022
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6X66
 | | Legionella pneumophila dDot T4SS OMC | | Descriptor: | DotC, DotD, Inner membrane lipoprotein YiaD, ... | | Authors: | Durie, C.L, Sheedlo, M.J, Chung, J.M, Byrne, B.G, Su, M, Knight, T, Swanson, M.S, Lacy, D.B, Ohi, M.D. | | Deposit date: | 2020-05-27 | | Release date: | 2020-10-28 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structural analysis of the Legionella pneumophila Dot/Icm type IV secretion system core complex.
Elife, 9, 2020
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