5MXL
 
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5MXT
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6HQU
 | | Humanised RadA mutant HumRadA22 in complex with a recombined BRC repeat 8-2 | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Breast cancer type 2 susceptibility, DNA repair and recombination protein RadA, ... | | 著者 | Pantelejevs, T, Lindenburg, L, Hyvonen, M, Hollfelder, F. | | 登録日 | 2018-09-25 | | 公開日 | 2019-10-09 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Improved RAD51 binders through motif shuffling based on the modularity of BRC repeats.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6HCW
 | | Crystal Structure of Lysyl-tRNA Synthetase from Cryptosporidium parvum complexed with L-lysine and a difluoro cyclohexyl chromone ligand | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LYSINE, Lysine--tRNA ligase, ... | | 著者 | Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H. | | 登録日 | 2018-08-16 | | 公開日 | 2019-04-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6B1C
 | | Macrophage Migration Inhibitory Factor in complex with a Naphthyridinone Inhibitor (4a) | | 分子名称: | 2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7H)-one, Macrophage migration inhibitory factor, SULFATE ION | | 著者 | Krimmer, S.G, Robertson, M.J, Jorgensen, W.L. | | 登録日 | 2017-09-18 | | 公開日 | 2018-01-03 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.163 Å) | | 主引用文献 | Adding a Hydrogen Bond May Not Help: Naphthyridinone vs Quinoline Inhibitors of Macrophage Migration Inhibitory Factor.
ACS Med Chem Lett, 8, 2017
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6ATE
 | | SRC kinase bound to covalent inhibitor | | 分子名称: | N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide, Proto-oncogene tyrosine-protein kinase Src | | 著者 | Gurbani, D, Westover, K.D. | | 登録日 | 2017-08-28 | | 公開日 | 2019-02-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.402 Å) | | 主引用文献 | Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome.
Cell Chem Biol, 26, 2019
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6AY2
 | | Structure of CathB with covalently linked Compound 28 | | 分子名称: | Cathepsin B, N~1~-[(2S)-1-amino-5-(carbamoylamino)pentan-2-yl]-N'~1~-[(1R)-1-(thiophen-3-yl)ethyl]cyclobutane-1,1-dicarboxamide | | 著者 | Kiefer, J.R, Steinbacher, S. | | 登録日 | 2017-09-07 | | 公開日 | 2017-12-27 | | 最終更新日 | 2018-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Discovery of Peptidomimetic Antibody-Drug Conjugate Linkers with Enhanced Protease Specificity.
J. Med. Chem., 61, 2018
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6AZU
 | | Holo IDO1 crystal structure | | 分子名称: | Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | 著者 | Lewis, H.A, Yan, C. | | 登録日 | 2017-09-13 | | 公開日 | 2018-03-21 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.822 Å) | | 主引用文献 | Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6HUM
 | | Structure of the photosynthetic complex I from Thermosynechococcus elongatus | | 分子名称: | 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, IRON/SULFUR CLUSTER, ... | | 著者 | Schuller, J.M, Schuller, S.K, Kurisu, G, Engel, B.D, Nowaczyk, M.M. | | 登録日 | 2018-10-09 | | 公開日 | 2019-01-09 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (3.34 Å) | | 主引用文献 | Structural adaptations of photosynthetic complex I enable ferredoxin-dependent electron transfer.
Science, 363, 2019
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6B2C
 | | Macrophage Migration Inhibitory Factor in Complex with a Naphthyridinone Inhibitor (4b) | | 分子名称: | Macrophage migration inhibitory factor, SULFATE ION, {2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-8-oxo-1,7-naphthyridin-7(8H)-yl}acetic acid | | 著者 | Krimmer, S.G, Robertson, M.J, Jorgensen, W.L. | | 登録日 | 2017-09-19 | | 公開日 | 2018-01-03 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Adding a Hydrogen Bond May Not Help: Naphthyridinone vs Quinoline Inhibitors of Macrophage Migration Inhibitory Factor.
ACS Med Chem Lett, 8, 2017
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6HYC
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6B2M
 | | LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase in complex with coenzyme A | | 分子名称: | ATP-utilizing enzyme of the PP-loopsuperfamily, COENZYME A, PHOSPHATE ION | | 著者 | Fellner, M, Hausinger, R.P, Hu, J. | | 登録日 | 2017-09-20 | | 公開日 | 2018-09-05 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.088 Å) | | 主引用文献 | Analysis of the Active Site Cysteine Residue of the Sacrificial Sulfur Insertase LarE from Lactobacillus plantarum.
Biochemistry, 57, 2018
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6B1K
 | | Macrophage Migration Inhibitory Factor in Complex with a Naphthyridinone Inhibitor (3a) | | 分子名称: | 2-[1-(4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7H)-one, GLYCEROL, Macrophage migration inhibitory factor, ... | | 著者 | Krimmer, S.G, Robertson, M.J, Jorgensen, W.L. | | 登録日 | 2017-09-18 | | 公開日 | 2018-01-03 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | | 主引用文献 | Adding a Hydrogen Bond May Not Help: Naphthyridinone vs Quinoline Inhibitors of Macrophage Migration Inhibitory Factor.
ACS Med Chem Lett, 8, 2017
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6HZV
 | | HUMAN JAK3 IN COMPLEX WITH LASW959 PROTEIN IN COMPLEX WITH LIGAND | | 分子名称: | 3-[7-(2-hydroxyethyl)-9-(oxan-4-yl)-8-oxidanylidene-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile, Tyrosine-protein kinase JAK3 | | 著者 | Lozoya, E, Segarra, V, Bach, J, Jestel, A, Lammens, A, Blaesse, M. | | 登録日 | 2018-10-24 | | 公開日 | 2019-10-23 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Identification of 2-Imidazopyridine and 2-Aminopyridone Purinones as Potent Pan-Janus Kinase (JAK) Inhibitors for the Inhaled Treatment of Respiratory Diseases.
J.Med.Chem., 62, 2019
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6BD3
 | | Saccharomyces cerevisiae acetohydroxyacid synthase | | 分子名称: | 2-ACETYL-THIAMINE DIPHOSPHATE, ACETATE ION, Acetolactate synthase catalytic subunit, ... | | 著者 | Guddat, L.W, Lonhienne, T. | | 登録日 | 2017-10-21 | | 公開日 | 2017-11-08 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | High resolution crystal structures of the acetohydroxyacid synthase-pyruvate complex provide new insights into its catalytic mechanism
Chemistryselect, 2017
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6B36
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6B3C
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6B85
 | | Crystal structure of transmembrane protein TMHC4_R | | 分子名称: | TMHC4_R | | 著者 | Lu, P, DiMaio, F, Min, D, Bowie, J, Wei, K.Y, Baker, D. | | 登録日 | 2017-10-05 | | 公開日 | 2018-03-14 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (3.889 Å) | | 主引用文献 | Accurate computational design of multipass transmembrane proteins.
Science, 359, 2018
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6B3H
 | | Crystal Structure of HIV Protease complexed with N-(2-(2-((6R,9S)-2,2-dioxido-2-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)ethyl)-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide | | 分子名称: | CHLORIDE ION, HIV-1 Protease, N-(2-{2-[(6R,9S)-2,2-dioxo-2lambda~6~-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl}-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide | | 著者 | Su, H.P. | | 登録日 | 2017-09-21 | | 公開日 | 2018-01-03 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ACS Med Chem Lett, 8, 2017
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5NBE
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5NEV
 | | CDK2/Cyclin A in complex with compound 73 | | 分子名称: | 4-[[6-(3-phenylphenyl)-7~{H}-purin-2-yl]amino]benzenesulfonamide, Cyclin-A2, Cyclin-dependent kinase 2 | | 著者 | Coxon, C.R, Anscombe, E, Harnor, S.J, Martin, M.P, Carbain, B, Hardcastle, I.R, Harlow, L.K, Korolchuk, S, Matheson, C.J, Noble, M.E.M, Newell, D.R, Turner, D, Sivaprakasam, M, Wang, L.Z, Wong, C, Golding, B.T, Griffin, R.J, Cano, G. | | 登録日 | 2017-03-12 | | 公開日 | 2017-03-29 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.97 Å) | | 主引用文献 | Cyclin-Dependent Kinase (CDK) Inhibitors: Structure-Activity Relationships and Insights into the CDK-2 Selectivity of 6-Substituted 2-Arylaminopurines.
J. Med. Chem., 60, 2017
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6B87
 | | Crystal structure of transmembrane protein TMHC2_E | | 分子名称: | TMHC2_E | | 著者 | Lu, P, DiMaio, F, Min, D, Wei, K.Y, Bowie, J, Baker, D. | | 登録日 | 2017-10-05 | | 公開日 | 2018-03-14 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.947 Å) | | 主引用文献 | Accurate computational design of multipass transmembrane proteins.
Science, 359, 2018
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5NQ2
 | | 'Porcine (Sus scrofa) Major Histocompatibility Complex, class I, presenting IAYERMCNI | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CALCIUM ION, ... | | 著者 | Rizkallah, P.J, Tungatt, K, Sewell, A.K. | | 登録日 | 2017-04-19 | | 公開日 | 2018-04-25 | | 最終更新日 | 2019-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Induction of influenza-specific local CD8 T-cells in the respiratory tract after aerosol delivery of vaccine antigen or virus in the Babraham inbred pig.
Plos Pathog., 14, 2018
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5NR7
 | | Mtb TMK crystal structure in complex with compound 43 | | 分子名称: | 1-[1-[[4-(3-chloranylphenoxy)quinolin-2-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione, CHLORIDE ION, Thymidylate kinase | | 著者 | Merceron, R, Song, L, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S. | | 登録日 | 2017-04-22 | | 公開日 | 2018-03-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structure Guided Lead Generation toward Nonchiral M. tuberculosis Thymidylate Kinase Inhibitors.
J. Med. Chem., 61, 2018
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6HZU
 | | HUMAN JAK1 IN COMPLEX WITH LASW1393 | | 分子名称: | 2-[4-[8-oxidanylidene-2-[(~{E})-(2-oxidanylidenepyridin-3-ylidene)amino]-7~{H}-purin-9-yl]cyclohexyl]ethanenitrile, Tyrosine-protein kinase JAK1 | | 著者 | Lozoya, E, Segarra, V, Bach, J, Jestel, A, Lammens, A, Blaesse, M. | | 登録日 | 2018-10-24 | | 公開日 | 2019-10-23 | | 最終更新日 | 2019-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Identification of 2-Imidazopyridine and 2-Aminopyridone Purinones as Potent Pan-Janus Kinase (JAK) Inhibitors for the Inhaled Treatment of Respiratory Diseases.
J.Med.Chem., 62, 2019
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