8K0D
 
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8K0C
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2MLK
 | | Three-dimensional structure of the C-terminal DNA-binding domain of RstA protein from Klebsiella pneumoniae | | 分子名称: | RstA | | 著者 | Fang, P, Chen, S, Cheng, Y, Chang, C, Yu, T, Huang, T. | | 登録日 | 2014-03-02 | | 公開日 | 2014-07-16 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural dynamics of the two-component response regulator RstA in recognition of promoter DNA element.
Nucleic Acids Res., 42, 2014
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6G4Z
 | | Crystal structure of murine NF-kappaB inducing kinase (NIK) in complex with compound 2f | | 分子名称: | 5-fluoranyl-1-[4-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrol-3-yl]ethynyl]pyridin-2-yl]indazole-3-carboxamide, Mitogen-activated protein kinase kinase kinase 14 | | 著者 | Leonardo-Silvestre, H, McEwan, P.A, Hymowitz, S.G. | | 登録日 | 2018-03-28 | | 公開日 | 2018-07-04 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | | 主引用文献 | Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase.
J. Med. Chem., 61, 2018
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6G4Y
 | | Crystal structure of murine NF-kappaB inducing kinase (NIK) in complex with compound 1a | | 分子名称: | 10-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrolidin-3-yl]ethynyl]-~{N}3-(oxan-4-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION | | 著者 | Hole, A.J, Hymowitz, S.G, McEwan, P.A. | | 登録日 | 2018-03-28 | | 公開日 | 2018-07-04 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase.
J. Med. Chem., 61, 2018
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7JHD
 | | Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with TTC-352 and GRIP Peptide | | 分子名称: | 3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophene-6-ol, Estrogen receptor, Nuclear receptor coactivator 2 | | 著者 | Fanning, S.W, Abderraman, B, Maximov, P.Y, Jordan, V.C, Greene, G.L. | | 登録日 | 2020-07-20 | | 公開日 | 2020-11-25 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.402 Å) | | 主引用文献 | Rapid Induction of the Unfolded Protein Response and Apoptosis by Estrogen Mimic TTC-352 for the Treatment of Endocrine-Resistant Breast Cancer.
Mol.Cancer Ther., 20, 2021
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5W9D
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6CBZ
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5W9C
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8E4A
 | | Pseudomonas LpxC in complex with LPC-233 | | 分子名称: | 4-(4-cyclopropylbuta-1,3-diyn-1-yl)-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | 著者 | Najeeb, J, Zhou, P. | | 登録日 | 2022-08-17 | | 公開日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.034 Å) | | 主引用文献 | Preclinical safety and efficacy characterization of an LpxC inhibitor against Gram-negative pathogens.
Sci Transl Med, 15, 2023
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8YWW
 | | The structure of HKU1-B S protein with bsAb1 | | 分子名称: | H4B6 heavy chain, H4B6 light chain, Spike glycoprotein, ... | | 著者 | Xia, L.Y, Zhang, Y.Y, Zhou, Q. | | 登録日 | 2024-04-01 | | 公開日 | 2024-07-31 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | A novel bispecific antibody targeting two overlapping epitopes in RBD improves neutralizing potency and breadth against SARS-CoV-2.
Emerg Microbes Infect, 13, 2024
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8YWX
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7WWM
 | | S protein of Delta variant in complex with ZWC6 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | 著者 | Guo, Y.Y, Zhang, Y.Y, Zhou, Q. | | 登録日 | 2022-02-13 | | 公開日 | 2022-06-01 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Broadly neutralizing antibodies against Omicron-included SARS-CoV-2 variants induced by vaccination.
Signal Transduct Target Ther, 7, 2022
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7WWL
 | | S protein of Delta variant in complex with ZWD12 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | 著者 | Guo, Y.Y, Zhang, Y.Y, Zhou, Q. | | 登録日 | 2022-02-13 | | 公開日 | 2022-06-01 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Broadly neutralizing antibodies against Omicron-included SARS-CoV-2 variants induced by vaccination.
Signal Transduct Target Ther, 7, 2022
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4TTH
 | | Crystal structure of a CDK6/Vcyclin complex with inhibitor bound | | 分子名称: | 9-cyclopentyl-N-(5-piperazin-1-ylpyridin-2-yl)pyrido[4,5]pyrrolo[1,2-d]pyrimidin-2-amine, Cyclin homolog, Cyclin-dependent kinase 6 | | 著者 | Piper, D.E, Walker, N, Wang, Z. | | 登録日 | 2014-06-20 | | 公開日 | 2014-08-06 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Discovery of AMG 925, a FLT3 and CDK4 dual kinase inhibitor with preferential affinity for the activated state of FLT3.
J.Med.Chem., 57, 2014
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6US2
 | | MTH1 in complex with compound 5 | | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide | | 著者 | Newby, Z.E.R, Lansdon, E.B. | | 登録日 | 2019-10-24 | | 公開日 | 2020-04-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.80012655 Å) | | 主引用文献 | Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation.
Acs Med.Chem.Lett., 11, 2020
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6US4
 | | MTH1 in complex with compound 32 | | 分子名称: | 5-(2,3-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase | | 著者 | Newby, Z.E.R, Lansdon, E.B. | | 登録日 | 2019-10-24 | | 公開日 | 2020-04-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.95032907 Å) | | 主引用文献 | Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation.
Acs Med.Chem.Lett., 11, 2020
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6V7F
 | | Human Arginase1 Complexed with Bicyclic Inhibitor Compound 13 | | 分子名称: | Arginase-1, MANGANESE (II) ION, {3-[(5R,7S,8S)-8-azaniumyl-8-carboxy-2-azaspiro[4.4]nonan-2-ium-7-yl]propyl}(trihydroxy)borate(1-) | | 著者 | Palte, R.L, Lesburg, C.A. | | 登録日 | 2019-12-08 | | 公開日 | 2020-05-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Discovery and Optimization of Rationally Designed Bicyclic Inhibitors of Human Arginase to Enhance Cancer Immunotherapy.
Acs Med.Chem.Lett., 11, 2020
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6US3
 | | MTH1 in complex with compound 4 | | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide | | 著者 | Newby, Z.E.R, Lansdon, E.B. | | 登録日 | 2019-10-24 | | 公開日 | 2020-04-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.47028923 Å) | | 主引用文献 | Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation.
Acs Med.Chem.Lett., 11, 2020
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6V7D
 | | Human Arginase1 Complexed with Bicyclic Inhibitor Compound 10 | | 分子名称: | Arginase-1, MANGANESE (II) ION, {3-[(3aR,4R,5S,6aR)-4-azaniumyl-4-carboxyoctahydrocyclopenta[b]pyrrol-1-ium-5-yl]propyl}(trihydroxy)borate(1-) | | 著者 | Palte, R.L, Lesburg, C.A. | | 登録日 | 2019-12-08 | | 公開日 | 2020-05-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Discovery and Optimization of Rationally Designed Bicyclic Inhibitors of Human Arginase to Enhance Cancer Immunotherapy.
Acs Med.Chem.Lett., 11, 2020
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6V7E
 | | Human Arginase1 Complexed with Bicyclic Inhibitor Compound 12 | | 分子名称: | 3-[(5~{S},7~{S},8~{S})-8-azanyl-8-carboxy-1-azaspiro[4.4]nonan-7-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION | | 著者 | Palte, R.L. | | 登録日 | 2019-12-08 | | 公開日 | 2020-05-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Discovery and Optimization of Rationally Designed Bicyclic Inhibitors of Human Arginase to Enhance Cancer Immunotherapy.
Acs Med.Chem.Lett., 11, 2020
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6V7C
 | | Human Arginase1 Complexed with Bicyclic Inhibitor Compound 3 | | 分子名称: | Arginase-1, MANGANESE (II) ION, {3-[(3aR,4S,5S,6aR)-5-azaniumyl-5-carboxyoctahydrocyclopenta[c]pyrrol-2-ium-4-yl]propyl}(trihydroxy)borate(1-) | | 著者 | Palte, R.L. | | 登録日 | 2019-12-08 | | 公開日 | 2020-05-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery and Optimization of Rationally Designed Bicyclic Inhibitors of Human Arginase to Enhance Cancer Immunotherapy.
Acs Med.Chem.Lett., 11, 2020
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3FMZ
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3OQ1
 | | Crystal Structure of 11beta-Hydroxysteroid Dehydrogenase-1 (11b-HSD1) in Complex with Diarylsulfone Inhibitor | | 分子名称: | 3-(2-fluoroethyl)-4-({4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl}sulfonyl)benzonitrile, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Wang, Z, Sudom, A, Walker, N.P. | | 登録日 | 2010-09-02 | | 公開日 | 2011-07-20 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | The synthesis and SAR of novel diarylsulfone 11beta-HSD1 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
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4PSQ
 | | Crystal Structure of Retinol-Binding Protein 4 (RBP4) in complex with a non-retinoid ligand | | 分子名称: | (1-benzyl-1H-imidazol-4-yl)[4-(2-chlorophenyl)piperazin-1-yl]methanone, 1,2-ETHANEDIOL, PHOSPHATE ION, ... | | 著者 | Wang, Z, Johnstone, S, Walker, N. | | 登録日 | 2014-03-07 | | 公開日 | 2014-07-02 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure-assisted discovery of the first non-retinoid ligands for Retinol-Binding Protein 4.
Bioorg.Med.Chem.Lett., 24, 2014
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