4MFL
 
 | | The crystal structure of acyltransferase in complex with decanoyl-CoA and Tei pseudoaglycone | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-beta-D-glucopyranose, Putative uncharacterized protein tcp24, ... | | 著者 | Lyu, S.Y, Liu, Y.C, Chang, C.Y, Huang, C.J, Li, T.L. | | 登録日 | 2013-08-28 | | 公開日 | 2014-09-03 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Multiple complexes of long aliphatic N-acyltransferases lead to synthesis of 2,6-diacylated/2-acyl-substituted glycopeptide antibiotics, effectively killing vancomycin-resistant enterococcus
J.Am.Chem.Soc., 136, 2014
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4MFK
 | | The crystal structure of acyltransferase in complex with decanoyl-CoA | | 分子名称: | Putative uncharacterized protein tcp24, SULFATE ION, decanoyl-CoA | | 著者 | Lyu, S.Y, Liu, Y.C, Chang, C.Y, Huang, C.J, Li, T.L. | | 登録日 | 2013-08-28 | | 公開日 | 2014-09-03 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Multiple complexes of long aliphatic N-acyltransferases lead to synthesis of 2,6-diacylated/2-acyl-substituted glycopeptide antibiotics, effectively killing vancomycin-resistant enterococcus
J.Am.Chem.Soc., 136, 2014
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6CJH
 | | Co-crystal structure of MNK2 in complex with an inhibitor | | 分子名称: | 3-phenyl-5-(pyridin-4-yl)-1H-indazole, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION | | 著者 | Han, Q. | | 登録日 | 2018-02-26 | | 公開日 | 2018-05-09 | | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | | 主引用文献 | Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.
J. Med. Chem., 61, 2018
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6CJE
 | | Crystal Structure of Mnk2-D228G in complex with Inhibitor | | 分子名称: | 4-[(9H-purin-6-yl)amino]benzamide, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION | | 著者 | Han, Q. | | 登録日 | 2018-02-26 | | 公開日 | 2018-05-09 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.36 Å) | | 主引用文献 | Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.
J. Med. Chem., 61, 2018
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6CJW
 | | Crystal Structure of Mnk2-D228G in Complex With Inhibitor | | 分子名称: | 3-(pyridin-4-yl)imidazo[1,2-b]pyridazine, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION | | 著者 | Han, Q. | | 登録日 | 2018-02-27 | | 公開日 | 2018-05-09 | | 実験手法 | X-RAY DIFFRACTION (3.38 Å) | | 主引用文献 | Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.
J. Med. Chem., 61, 2018
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6CJ5
 | | Crystal Structure of Mnk2-D228G in Complex With Inhibitor | | 分子名称: | 3-(pyridin-3-yl)imidazo[1,2-a]pyridine-8-carboxamide, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION | | 著者 | Han, Q. | | 登録日 | 2018-02-26 | | 公開日 | 2018-05-09 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.
J. Med. Chem., 61, 2018
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6CKI
 | | Co-crystal structure of MNK2 in Complex With Inhibitor | | 分子名称: | 3,3-dimethyl-6-[(pyrimidin-4-yl)amino]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION | | 著者 | Han, Q. | | 登録日 | 2018-02-28 | | 公開日 | 2018-05-09 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.
J. Med. Chem., 61, 2018
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6CK3
 | | Co-crytsal Structure of MNK2 in Complex With an Inhibitor | | 分子名称: | (3R)-3-methyl-5-[(pyrimidin-4-yl)amino]-2,3-dihydro-1H-isoindol-1-one, CHLORIDE ION, MAP kinase-interacting serine/threonine-protein kinase 2, ... | | 著者 | Han, Q. | | 登録日 | 2018-02-27 | | 公開日 | 2018-05-09 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.
J. Med. Chem., 61, 2018
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7BL1
 | | human complex II-BATS bound to membrane-attached Rab5a-GTP | | 分子名称: | Beclin-1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Tremel, S, Morado, D.R, Kovtun, O, Williams, R.L, Briggs, J.A.G, Munro, S, Ohashi, Y, Bertram, J, Perisic, O. | | 登録日 | 2021-01-17 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (9.8 Å) | | 主引用文献 | Structural basis for VPS34 kinase activation by Rab1 and Rab5 on membranes.
Nat Commun, 12, 2021
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6WPA
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6WP9
 | | AvaR1 bound to Avenolide | | 分子名称: | (5S)-5-[(6R)-6-hydroxy-6-methyl-5-oxooctyl]furan-2(5H)-one, AvaR1 | | 著者 | Kapoor, I, Olivares, P.J, Nair, S.K. | | 登録日 | 2020-04-26 | | 公開日 | 2020-07-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Biochemical basis for the regulation of biosynthesis of antiparasitics by bacterial hormones.
Elife, 9, 2020
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6YCE
 | | Structure the bromelain protease from Ananas comosus with a thiomethylated active cysteine | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FBSB, ISOPROPYL ALCOHOL, ... | | 著者 | Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F. | | 登録日 | 2020-03-18 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity.
Sci Rep, 10, 2020
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7JX4
 | | Crystal Structure of N-Lysine Peptoid-modified Collagen Triple Helix | | 分子名称: | Collagen mimetic peptide with N-Lysine guest | | 著者 | Yu, M.S, Whitby, F.G, Hill, C.P, Kessler, J.L, Yang, L.D. | | 登録日 | 2020-08-26 | | 公開日 | 2021-07-21 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (0.95 Å) | | 主引用文献 | Peptoid Residues Make Diverse, Hyperstable Collagen Triple-Helices.
J.Am.Chem.Soc., 143, 2021
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7JX5
 | | Crystal Structure of N-Phenylalanine Peptoid-modified Collagen Triple Helix | | 分子名称: | Collagen mimetic peptide with N-Phenylalanine guest | | 著者 | Yu, M.S, Whitby, F.G, Hill, C.P, Kessler, J.L, Yang, L.D. | | 登録日 | 2020-08-26 | | 公開日 | 2021-07-21 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Peptoid Residues Make Diverse, Hyperstable Collagen Triple-Helices
J.Am.Chem.Soc., 143, 2021
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4WWF
 | | High-resolution structure of two Ni-bound forms of the M123C mutant of C. metallidurans CnrXs | | 分子名称: | NICKEL (II) ION, Nickel and cobalt resistance protein CnrR, SODIUM ION | | 著者 | Volbeda, A, Coves, J, Maillard, A.P, Kinnemann, S, Grosse, C, Schleuder, G, Petit-Hurtlein, I, de Rosny, E, Nies, D.H. | | 登録日 | 2014-11-10 | | 公開日 | 2015-02-11 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Response of CnrX from Cupriavidus metallidurans CH34 to nickel binding.
Metallomics, 7, 2015
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4WWD
 | | High-resolution structure of the Co-bound form of the Y135F mutant of C. metallidurans CnrXs | | 分子名称: | CARBON DIOXIDE, CHLORIDE ION, COBALT (II) ION, ... | | 著者 | Volbeda, A, Coves, J, Maillard, A.P, Kuennemann, S, Grosse, C, Schleuder, G, Petit-Haertlein, I, de Rosny, E, Nies, D.H. | | 登録日 | 2014-11-10 | | 公開日 | 2015-02-11 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Response of CnrX from Cupriavidus metallidurans CH34 to nickel binding.
Metallomics, 7, 2015
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4WWB
 | | High-resolution structure of the Ni-bound form of the Y135F mutant of C. metallidurans CnrXs | | 分子名称: | CARBON DIOXIDE, CHLORIDE ION, FORMIC ACID, ... | | 著者 | Volbeda, A, Coves, J, Maillard, A.P, Kuennemann, S, Grosse, C, Schleuder, G, Petit-Haertlein, I, de Rosny, E, Nies, D.H. | | 登録日 | 2014-11-10 | | 公開日 | 2015-02-11 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | | 主引用文献 | Response of CnrX from Cupriavidus metallidurans CH34 to nickel binding.
Metallomics, 7, 2015
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6EXQ
 | | Crystal Structure of Rhodesain in complex with a Macrolactam Inhibitor | | 分子名称: | (3~{S})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-8-methoxy-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(20),6(11),7,9,18,21-hexaene-3-carboxamide, 1,2-ETHANEDIOL, Cysteine protease | | 著者 | Dietzel, U, Kisker, C. | | 登録日 | 2017-11-08 | | 公開日 | 2018-04-11 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors.
J. Med. Chem., 61, 2018
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7X6H
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7X6F
 | | Outer membrane lipoprotein QseG of Escherichia coli O157:H7 | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CITRATE ANION, ... | | 著者 | Matsumoto, K, Fukuda, Y, Inoue, T. | | 登録日 | 2022-03-07 | | 公開日 | 2023-03-15 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structures of QseE and QseG: elements of a three-component system from Escherichia coli.
Acta Crystallogr.,Sect.F, 79, 2023
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7X6G
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6U0S
 | | Crystal structure of the flavin-dependent monooxygenase PieE in complex with FAD and substrate | | 分子名称: | 2,4-dichlorophenol 6-monooxygenase, 2-[(2E,5E,7E,9R,10R,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraen-1-yl]-6-methoxy-3-methylpyridin-4-ol, CHLORIDE ION, ... | | 著者 | Shi, R, Manenda, M. | | 登録日 | 2019-08-14 | | 公開日 | 2020-03-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | Structural analyses of the Group A flavin-dependent monooxygenase PieE reveal a sliding FAD cofactor conformation bridging OUT and IN conformations.
J.Biol.Chem., 295, 2020
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6CXE
 | | Structure of alpha-GSA[26,6P] bound by CD1d and in complex with the Va14Vb8.2 TCR | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | | 著者 | Wang, J, Zajonc, D. | | 登録日 | 2018-04-02 | | 公開日 | 2019-04-10 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides.
J.Biol.Chem., 294, 2019
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7L1X
 | | Structure of human CK2 alpha kinase (catalytic subunit) with the inhibitor 108600. | | 分子名称: | (2~{Z})-6-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]-2-[[4-oxidanyl-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]methylidene]-4~{H}-1,4-benzothiazin-3-one, Casein kinase II subunit alpha, GLYCEROL, ... | | 著者 | Rechkoblit, O, Aggarwal, A.K. | | 登録日 | 2020-12-15 | | 公開日 | 2021-08-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Simultaneous CK2/TNIK/DYRK1 inhibition by 108600 suppresses triple negative breast cancer stem cells and chemotherapy-resistant disease.
Nat Commun, 12, 2021
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8R9R
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