6FFB
 
 | | 17beta-hydroxysteroid dehydrogenase 14 variant S205 - mutant Q148A - in complex with a nonsteroidal inhibitor | | 分子名称: | 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ... | | 著者 | Bertoletti, N, Heine, A, Klebe, G, Marchais-Oberwinkler, S. | | 登録日 | 2018-01-05 | | 公開日 | 2019-01-30 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Mutational and structural studies uncover crucial amino acids determining activity and stability of 17 beta-HSD14.
J.Steroid Biochem.Mol.Biol., 189, 2019
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6FBW
 | | Crystal structure of C-terminal modified Tau peptide-hybrid 4.2f-II with 14-3-3sigma | | 分子名称: | (2~{R})-2-[(~{S})-(3-methoxyphenyl)-phenyl-methyl]pyrrolidine, 14-3-3 protein sigma, ARG-THR-PRO-SEP-LEU-PRO-GLY, ... | | 著者 | Andrei, S.A, Meijer, F.A, Ottmann, C, Milroy, L.G. | | 登録日 | 2017-12-20 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Inhibition of 14-3-3/Tau by Hybrid Small-Molecule Peptides Operating via Two Different Binding Modes.
ACS Chem Neurosci, 9, 2018
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4QQ2
 | | Crystal structure of C1QL1 | | 分子名称: | C1q-related factor, CADMIUM ION | | 著者 | Ressl, S, Brunger, A.T. | | 登録日 | 2014-06-26 | | 公開日 | 2015-04-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | | 主引用文献 | Structures of C1q-like Proteins Reveal Unique Features among the C1q/TNF Superfamily.
Structure, 23, 2015
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8IYO
 | | Crystal structure of a protein acetyltransferase, HP0935, acetyl-CoA bound form | | 分子名称: | ACETYL COENZYME *A, N-acetyltransferase domain-containing protein | | 著者 | Dadireddy, V, Mahanta, P, Kumar, A, Desirazu, R.N, Ramakumar, S. | | 登録日 | 2023-04-05 | | 公開日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal structure of a protein acetyltransferase, HP0935, acetyl-CoA bound form
To be published
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6CF5
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6JCE
 | | NMR solution and X-ray crystal structures of a DNA containing both right-and left-handed parallel-stranded G-quadruplexes | | 分子名称: | 29-mer DNA | | 著者 | Winnerdy, F.R, Bakalar, B, Maity, A, Vandana, J.J, Mechulam, Y, Schmitt, E, Phan, A.T. | | 登録日 | 2019-01-28 | | 公開日 | 2019-07-10 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR solution and X-ray crystal structures of a DNA molecule containing both right- and left-handed parallel-stranded G-quadruplexes.
Nucleic Acids Res., 47, 2019
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5JJN
 | | Structure of the SRII/HtrII(G83F) Complex in P212121 space group ("V" shape) | | 分子名称: | EICOSANE, RETINAL, Sensory rhodopsin II transducer, ... | | 著者 | Ishchenko, A, Round, E, Borshchevskiy, V, Grudinin, S, Gushchin, I, Klare, J, Remeeva, A, Polovinkin, V, Utrobin, P, Balandin, T, Engelhard, M, Bueldt, G, Gordeliy, V. | | 登録日 | 2016-04-24 | | 公開日 | 2017-02-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | New Insights on Signal Propagation by Sensory Rhodopsin II/Transducer Complex.
Sci Rep, 7, 2017
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4QTA
 | | Structure of human ERK2 in complex with SCH772984 revealing a novel inhibitor-induced binding pocket | | 分子名称: | (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, ... | | 著者 | Chaikuad, A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2014-07-07 | | 公開日 | 2014-07-23 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics.
Nat.Chem.Biol., 10, 2014
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6WGG
 | | Atomic model of pre-insertion mutant OCCM-DNA complex(ORC-Cdc6-Cdt1-Mcm2-7 with Mcm6 WHD truncation) | | 分子名称: | Cell division control protein 6, Cell division cycle protein CDT1, DNA (41-MER), ... | | 著者 | Yuan, Z, Schneider, S, Dodd, T, Riera, A, Bai, L, Yan, C, Magdalou, I, Ivanov, I, Stillman, B, Li, H, Speck, C. | | 登録日 | 2020-04-05 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (8.1 Å) | | 主引用文献 | Structural mechanism of helicase loading onto replication origin DNA by ORC-Cdc6.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7T2F
 | | Solution structure of the model HEEH mini protein homodimer HEEH_TK_rd5_0341 | | 分子名称: | HEEH mini protein HEEH_TK_rd5_0341 | | 著者 | Lemak, A, Houliston, S, Kim, T.-E, Martel, C, Rocklin, G.J, Arrowsmith, C.H. | | 登録日 | 2021-12-04 | | 公開日 | 2022-10-05 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Dissecting the stability determinants of a challenging de novo protein fold using massively parallel design and experimentation.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6SCG
 | | Structure of AdhE form 1 | | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Aldehyde-alcohol dehydrogenase, ... | | 著者 | Lovering, A.L, Bragginton, E. | | 登録日 | 2019-07-24 | | 公開日 | 2020-08-26 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | High-resolution structure of the alcohol dehydrogenase domain of the bifunctional bacterial enzyme AdhE.
Acta Crystallogr.,Sect.F, 76, 2020
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7ZKT
 | | Moss spermine/spermidine acetyl transferase (PpSSAT) in complex with CoA and lysine | | 分子名称: | 1,2-ETHANEDIOL, COENZYME A, LYSINE, ... | | 著者 | Morera, S, Kopecny, D, Vigouroux, A, Briozzo, P. | | 登録日 | 2022-04-13 | | 公開日 | 2023-03-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Biochemical and structural basis of polyamine, lysine and ornithine acetylation catalyzed by spermine/spermidine N-acetyl transferase in moss and maize.
Plant J., 114, 2023
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5FAT
 | | OXA-48 in complex with FPI-1602 | | 分子名称: | Beta-lactamase, CADMIUM ION, CHLORIDE ION, ... | | 著者 | King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. | | 登録日 | 2015-12-12 | | 公開日 | 2016-01-20 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins.
Acs Chem.Biol., 11, 2016
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6SDO
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8EAQ
 | | Structure of the full-length IP3R1 channel determined at high Ca2+ | | 分子名称: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, CALCIUM ION, Inositol 1,4,5-trisphosphate receptor type 1, ... | | 著者 | Fan, G, Baker, M.R, Terry, L.E, Arige, V, Chen, M, Seryshev, A.B, Baker, M.L, Ludtke, S.J, Yule, D.I, Serysheva, I.I. | | 登録日 | 2022-08-29 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-10-09 | | 実験手法 | ELECTRON MICROSCOPY (3.26 Å) | | 主引用文献 | Conformational motions and ligand-binding underlying gating and regulation in IP 3 R channel.
Nat Commun, 13, 2022
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5FPO
 | | Structure of Bacterial DNA Ligase with small-molecule ligand 1H- indazol-7-amine (AT4213) in an alternate binding site. | | 分子名称: | 1H-indazol-7-amine, DNA LIGASE | | 著者 | Jhoti, H, Ludlow, R.F, Pathuri, P, Saini, H.K, Tickle, I.J, Tisi, D, Verdonk, M, Williams, P.A. | | 登録日 | 2015-12-02 | | 公開日 | 2015-12-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
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8EAR
 | | Structure of the full-length IP3R1 channel determined in the presence of Calcium/IP3/ATP | | 分子名称: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ... | | 著者 | Fan, G, Baker, M.R, Terry, L.E, Arige, V, Chen, M, Seryshev, A.B, Baker, M.L, Ludtke, S.J, Yule, D.I, Serysheva, I.I. | | 登録日 | 2022-08-29 | | 公開日 | 2022-11-23 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Conformational motions and ligand-binding underlying gating and regulation in IP 3 R channel.
Nat Commun, 13, 2022
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6RJE
 | | Lysostaphin SH3b P4-G5 complex, homesource dataset | | 分子名称: | (2~{R})-2-[[(2~{S})-2-[[(4~{R})-5-azanyl-4-[[(2~{S})-2-azanylpropanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-6-[2-[2-[2-[2-(2-azanylethanoylamino)ethanoylamino]ethanoylamino]ethanoylamino]ethanoylamino]hexanoyl]amino]propanoic acid, Lysostaphin | | 著者 | Walters-Morgan, H, Lovering, A.L. | | 登録日 | 2019-04-26 | | 公開日 | 2019-10-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Two-site recognition of Staphylococcus aureus peptidoglycan by lysostaphin SH3b.
Nat.Chem.Biol., 16, 2020
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5FFG
 | | Crystal structure of integrin alpha V beta 6 head | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Dong, X, Springer, T.A. | | 登録日 | 2015-12-18 | | 公開日 | 2017-01-25 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Force interacts with macromolecular structure in activation of TGF-beta.
Nature, 542, 2017
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7U6F
 | | Mouse retromer (VPS26/VPS35/VPS29) heterotrimers | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ... | | 著者 | Kendall, A.K, Chandra, M, Jackson, L.P. | | 登録日 | 2022-03-04 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (4.9 Å) | | 主引用文献 | Improved mammalian retromer cryo-EM structures reveal a new assembly interface.
J.Biol.Chem., 298, 2022
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7TZI
 | | Structure of a pseudomurein peptide ligase type E from Methanothermobacter thermautotrophicus | | 分子名称: | Mur ligase family protein | | 著者 | Carbone, V, Schofield, L.R, Sutherland-Smith, A.J, Ronimus, R.S, Subedi, B.P. | | 登録日 | 2022-02-15 | | 公開日 | 2022-10-12 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.911 Å) | | 主引用文献 | Structural characterisation of methanogen pseudomurein cell wall peptide ligases homologous to bacterial MurE/F murein peptide ligases.
Microbiology (Reading, Engl.), 168, 2022
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5FOL
 | | Crystal structure of the Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain complex with a post-transfer editing analogue of isoeucine (Ile2AA) | | 分子名称: | 2'-(L-ISOLEUCYL)AMINO-2'-DEOXYADENOSINE, LEUCYL-TRNA SYNTHETASE, PHOSPHATE ION | | 著者 | Palencia, A, Liu, R.J, Lukarska, M, Gut, J, Bougdour, A, Touquet, B, Wang, E.D, Alley, M.R.K, Rosenthal, P.J, Hakimi, M.A, Cusack, S. | | 登録日 | 2015-11-24 | | 公開日 | 2016-08-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
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7LHB
 | | Crystal structure of Bcl-2 in complex with prodrug ABBV-167 | | 分子名称: | Apoptosis regulator Bcl-2, Phosphoric acid mono-[5-(5-{4-[2-(4-chloro-phenyl)-4,4-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}-2-{3-nitro-4-[(tetrahydro-pyran-4-ylmethyl)-amino]-benzenesulfonylaminocarbonyl}-phenoxy)-pyrrolo[2,3-b]pyridin-7-ylmethyl] ester | | 著者 | Judge, R.A, Salem, A.H. | | 登録日 | 2021-01-21 | | 公開日 | 2021-04-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.068 Å) | | 主引用文献 | Expanding the Repertoire for "Large Small Molecules": Prodrug ABBV-167 Efficiently Converts to Venetoclax with Reduced Food Effect in Healthy Volunteers.
Mol.Cancer Ther., 20, 2021
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5JPX
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6ZH3
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