9HGP
 
 | | Human Carbonic Anhydrase II in complex with a synthetic aromatic oligoamide foldamer | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Sigl, J.C, Wang, L, Huc, I. | | 登録日 | 2024-11-20 | | 公開日 | 2025-10-15 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structure-based design of an aromatic helical foldamer-protein interface.
Chem Sci, 16, 2025
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7BRS
 | | E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSA02 | | 分子名称: | 8-[2-[(E)-2-[4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-indol-1-ium-1-yl]octanoic acid, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | | 著者 | Chen, X, Hu, Y.L, Gao, Y, Yuan, R, Guo, Y. | | 登録日 | 2020-03-30 | | 公開日 | 2021-03-03 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | Two-Dimensional Design Strategy to Construct Smart Fluorescent Probes for the Precise Tracking of Senescence.
Angew.Chem.Int.Ed.Engl., 60, 2021
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4MPQ
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8IYB
 | | Structure insight into substrate recognition and catalysis by feruloyl esterase from Aspergillus sydowii | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, ... | | 著者 | Phienluphon, A, Kondo, K, Mikami, B, Nagata, T, Katahira, M. | | 登録日 | 2023-04-04 | | 公開日 | 2023-10-25 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural insights into the molecular mechanisms of substrate recognition and hydrolysis by feruloyl esterase from Aspergillus sydowii.
Int.J.Biol.Macromol., 253, 2023
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6QF3
 | | X-Ray structure of Thermolysin soaked with sodium aspartate on a silicon chip | | 分子名称: | 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ASPARTIC ACID, ... | | 著者 | Lieske, J, Cerv, M, Kreida, S, Barthelmess, M, Fischer, P, Pakendorf, T, Yefanov, O, Mariani, V, Seine, T, Ross, B.H, Crosas, E, Lorbeer, O, Burkhardt, A, Lane, T.J, Guenther, S, Bergtholdt, J, Schoen, S, Tornroth-Horsefield, S, Chapman, H.N, Meents, A. | | 登録日 | 2019-01-09 | | 公開日 | 2019-07-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.521 Å) | | 主引用文献 | On-chip crystallization for serial crystallography experiments and on-chip ligand-binding studies.
Iucrj, 6, 2019
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6A91
 | | Complex of voltage-gated sodium channel NavPaS from American cockroach Periplaneta americana bound with saxitoxin and Dc1a | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 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 | Shen, H.Z, li, Z.Q, Jiang, Y, Pan, X.J, Wu, J.P, Cristofori-Armstrong, B, Smith, J.J, Chin, Y.K.Y, Lei, J.L, Zhou, Q, King, G.F, Yan, N. | | 登録日 | 2018-07-11 | | 公開日 | 2018-08-08 | | 最終更新日 | 2025-07-02 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structural basis for the modulation of voltage-gated sodium channels by animal toxins.
Science, 362, 2018
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6Q7G
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATHA01 | | 分子名称: | 3-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | | 登録日 | 2018-12-13 | | 公開日 | 2020-01-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.047 Å) | | 主引用文献 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
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6DZ3
 | | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-(((3-(1-butyl-1H-1,2,3-triazol-4-yl)propyl)thio)methyl)pyrrolidin-3-ol | | 分子名称: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-butyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol, 1,2-ETHANEDIOL, ACETIC ACID, ... | | 著者 | Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. | | 登録日 | 2018-07-02 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase.
J. Med. Chem., 62, 2019
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5F79
 | | Influenza PB2 bound to an azaindole inhibitor | | 分子名称: | N-[(1R,3S)-3-({5-fluoro-2-[5-fluoro-2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl}amino)cyclohexyl]pyrrolidine-1-carboxamide, Polymerase basic protein 2 | | 著者 | Jacobs, M.D. | | 登録日 | 2015-12-07 | | 公開日 | 2016-12-07 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Novel 2-Substituted 7-Azaindole and 7-Azaindazole Analogues as Potential Antiviral Agents for the Treatment of Influenza.
ACS Med Chem Lett, 8, 2017
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7YHP
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8IWC
 | | Crystal structure of Q9PR55 at pH 6.0 | | 分子名称: | Uncharacterized protein UU089.1 | | 著者 | Hsu, M.F, Ko, T.P, Huang, K.F, Chen, Y.R, Huang, J.S, Hsu, S.T.D. | | 登録日 | 2023-03-29 | | 公開日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Structure, dynamics, and stability of the smallest and most complex 7 1 protein knot.
J.Biol.Chem., 300, 2023
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8IWA
 | | Crystal structure of Q9PR55 at pH 6.5 | | 分子名称: | SULFATE ION, Uncharacterized protein UU089.1 | | 著者 | Hsu, M.F, Ko, T.P, Huang, K.F, Chen, Y.R, Huang, J.S, Hsu, S.T.D. | | 登録日 | 2023-03-29 | | 公開日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | | 主引用文献 | Structure, dynamics, and stability of the smallest and most complex 7 1 protein knot.
J.Biol.Chem., 300, 2023
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6DYV
 | | Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-((pent-4-yn-1-ylthio)methyl)pyrrolidin-3-ol | | 分子名称: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(pent-4-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | | 著者 | Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. | | 登録日 | 2018-07-02 | | 公開日 | 2019-03-20 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase.
J. Med. Chem., 62, 2019
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4N5P
 | | Thermolysin in complex with UBTLN20 | | 分子名称: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Krimmer, S.G, Heine, A, Klebe, G. | | 登録日 | 2013-10-10 | | 公開日 | 2014-04-02 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Methyl, Ethyl, Propyl, Butyl: Futile But Not for Water, as the Correlation of Structure and Thermodynamic Signature Shows in a Congeneric Series of Thermolysin Inhibitors.
Chemmedchem, 4, 2014
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8IWB
 | | Crystal structure of Q9PR55 at pH 7.5 | | 分子名称: | Uncharacterized protein UU089.1 | | 著者 | Hsu, M.F, Ko, T.P, Huang, K.F, Chen, Y.R, Huang, J.S, Hsu, S.T.D. | | 登録日 | 2023-03-29 | | 公開日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Structure, dynamics, and stability of the smallest and most complex 7 1 protein knot.
J.Biol.Chem., 300, 2023
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7BLE
 | | Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the tricyclic inhibitor (3) | | 分子名称: | 3-ethyl-1,3-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-2-imine, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | Schreuder, H.A, Liesum, A. | | 登録日 | 2021-01-18 | | 公開日 | 2021-03-17 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.809 Å) | | 主引用文献 | Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders.
Molecules, 26, 2021
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3M3U
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6HHG
 | | Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 27 | | 分子名称: | RAC-alpha serine/threonine-protein kinase, ~{N}-[2-chloranyl-5-[[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]carbamoylamino]phenyl]propanamide | | 著者 | Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. | | 登録日 | 2018-08-28 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt.
Chem Sci, 10, 2019
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8WWS
 | | Crystal structure of cis-epoxysuccinate hydrolase from Klebsiella oxytoca with L(+)-tartaric acid | | 分子名称: | (S)-2-haloacid dehalogenase, 1,2-ETHANEDIOL, CARBONATE ION, ... | | 著者 | Han, Y, Kong, X.D, Li, J, Xu, J.H. | | 登録日 | 2023-10-26 | | 公開日 | 2024-06-12 | | 最終更新日 | 2025-11-19 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Structural Insights of a cis -Epoxysuccinate Hydrolase Facilitate the Development of Robust Biocatalysts for the Production of l-(+)-Tartrate.
Biochemistry, 63, 2024
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3MO5
 | | Human G9a-like (GLP, also known as EHMT1) in complex with inhibitor E72 | | 分子名称: | 7-[(5-aminopentyl)oxy]-N~4~-[1-(5-aminopentyl)piperidin-4-yl]-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine, Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, ... | | 著者 | Chang, Y, Horton, J.R, Cheng, X. | | 登録日 | 2010-04-22 | | 公開日 | 2010-06-30 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Adding a lysine mimic in the design of potent inhibitors of histone lysine methyltransferases.
J.Mol.Biol., 400, 2010
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8WY7
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 22 | | 分子名称: | 2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]-~{N}-(4-oxidanylcyclohexyl)ethanamide, Bromodomain-containing protein 4 | | 著者 | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | | 登録日 | 2023-10-30 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | | 主引用文献 | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia.
J.Med.Chem., 67, 2024
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4MPP
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7YDQ
 | | Structure of PfNT1(Y190A)-GFP in complex with GSK4 | | 分子名称: | 5-methyl-N-[2-(2-oxidanylideneazepan-1-yl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide, Nucleoside transporter 1,Green fluorescent protein | | 著者 | Wang, C, Yu, L.Y, Li, J.L, Ren, R.B, Deng, D. | | 登録日 | 2022-07-04 | | 公開日 | 2023-04-26 | | 最終更新日 | 2025-06-25 | | 実験手法 | ELECTRON MICROSCOPY (4.04 Å) | | 主引用文献 | Structural basis of the substrate recognition and inhibition mechanism of Plasmodium falciparum nucleoside transporter PfENT1.
Nat Commun, 14, 2023
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6Q4M
 | | Crystal structure of the O-GlcNAc transferase Asn648Tyr mutation | | 分子名称: | (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, PHOSPHATE ION, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | | 著者 | Gundogdu, M, van Aalten, D.M.F. | | 登録日 | 2018-12-06 | | 公開日 | 2019-12-25 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structure of the O-GlcNAc transferase Asn648Tyr mutation
To Be Published
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7BYD
 | | Crystal structure of SN45 TCR in complex with lipopeptide-bound Mamu-B*05104 | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, B protein, ... | | 著者 | Morita, D, Sugita, M, Iwashita, C. | | 登録日 | 2020-04-22 | | 公開日 | 2021-03-31 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.80003262 Å) | | 主引用文献 | Crystal structure of the ternary complex of TCR, MHC class I and lipopeptides.
Int.Immunol., 32, 2020
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