7N9K
 
 | | KirBac3.1 L124M mutant | | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Inward rectifier potassium channel Kirbac3.1, N-OCTANE, ... | | 著者 | Black, T.A, Gulbis, J.M. | | 登録日 | 2021-06-18 | | 公開日 | 2021-12-29 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | | 主引用文献 | Ion currents through Kir potassium channels are gated by anionic lipids.
Nat Commun, 13, 2022
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6ZOQ
 | | Oestrogen receptor ligand binding domain in complex with compound 16 | | 分子名称: | Estrogen receptor, ~{N}-[4-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-3-methoxy-phenyl]-1-(3-fluoranylpropyl)azetidin-3-amine | | 著者 | Breed, J. | | 登録日 | 2020-07-07 | | 公開日 | 2021-01-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist.
J.Med.Chem., 63, 2020
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6ZOR
 | | Oestrogen receptor ligand binding domain in complex with compound 28 | | 分子名称: | 6-[(6~{S},8~{R})-8-methyl-7-[2,2,2-tris(fluoranyl)ethyl]-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-(1-propylazetidin-3-yl)pyridin-3-amine, Estrogen receptor | | 著者 | Breed, J. | | 登録日 | 2020-07-07 | | 公開日 | 2021-01-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist.
J.Med.Chem., 63, 2020
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6ZOS
 | | Oestrogen receptor ligand binding domain in complex with compound 18 | | 分子名称: | 6-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-[1-(3-fluoranylpropyl)azetidin-3-yl]pyridin-3-amine, Estrogen receptor | | 著者 | Breed, J. | | 登録日 | 2020-07-07 | | 公開日 | 2021-01-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist.
J.Med.Chem., 63, 2020
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7BPI
 | | The crystal structue of PDE10A complexed with 14 | | 分子名称: | 8-[(E)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline, MAGNESIUM ION, ZINC ION, ... | | 著者 | Yang, Y, Zhang, S, Zhou, Q, Huang, Y.-Y, Guo, L, Luo, H.-B. | | 登録日 | 2020-03-22 | | 公開日 | 2021-01-27 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.4000864 Å) | | 主引用文献 | Discovery of highly selective and orally available benzimidazole-based phosphodiesterase 10 inhibitors with improved solubility and pharmacokinetic properties for treatment of pulmonary arterial hypertension.
Acta Pharm Sin B, 10, 2020
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7FCQ
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7FCP
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6J1L
 | | Crystal Structure Analysis of the ROR gamma(C455E) | | 分子名称: | 2-[4-(ethylsulfonyl)phenyl]-N-[2'-fluoro-4'-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)[1,1'-biphenyl]-4-yl]acetamide, Nuclear receptor ROR-gamma | | 著者 | zhang, Y, Li, C.C, wu, X.S. | | 登録日 | 2018-12-28 | | 公開日 | 2019-05-01 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery and Characterization of XY101, a Potent, Selective, and Orally Bioavailable ROR gamma Inverse Agonist for Treatment of Castration-Resistant Prostate Cancer.
J.Med.Chem., 62, 2019
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8GRA
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1FSH
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5ID6
 | | Structure of Cpf1/RNA Complex | | 分子名称: | Cpf1, MAGNESIUM ION, RNA (5'-R(P*AP*AP*UP*UP*UP*CP*UP*AP*CP*UP*AP*AP*GP*UP*GP*UP*AP*GP*AP*UP*C)-3') | | 著者 | Dong, D, Ren, K, Qiu, X, Wang, J, Huang, Z. | | 登録日 | 2016-02-24 | | 公開日 | 2016-04-27 | | 最終更新日 | 2016-05-11 | | 実験手法 | X-RAY DIFFRACTION (2.382 Å) | | 主引用文献 | The crystal structure of Cpf1 in complex with CRISPR RNA
Nature, 532, 2016
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8HSB
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6IJX
 | | Crystal Structure of AKR1C1 complexed with meclofenamic acid | | 分子名称: | 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Zheng, X, Zhao, Y, Zhang, L, Zhang, H, Chen, Y, Hu, X. | | 登録日 | 2018-10-12 | | 公開日 | 2019-10-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.
Bioorg.Med.Chem., 26, 2018
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6KJZ
 | | Crystal structure of PDE4D catalytic domain complexed with compound 1 | | 分子名称: | 5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-6-one, MAGNESIUM ION, ZINC ION, ... | | 著者 | Huang, Y.-Y, He, X, Luo, H.-B. | | 登録日 | 2019-07-23 | | 公開日 | 2020-03-18 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.200001 Å) | | 主引用文献 | Discovery and Optimization of alpha-Mangostin Derivatives as Novel PDE4 Inhibitors for the Treatment of Vascular Dementia.
J.Med.Chem., 63, 2020
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7Y99
 | | Crystal Structure Analysis of cp2 bound BCLxl | | 分子名称: | Bcl-2-like protein 1, CP2 peptide, N-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide | | 著者 | Li, F.W, Liu, C, Wu, C.L, Wu, D.L. | | 登録日 | 2022-06-24 | | 公開日 | 2023-09-27 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
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7Y8D
 | | Crystal structure of cp1 bound BCLxl | | 分子名称: | (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid, Bcl-2-like protein 1, cp1 peptide | | 著者 | Li, F.W, Liu, C, Wu, C.L, Wu, D.L. | | 登録日 | 2022-06-23 | | 公開日 | 2023-11-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
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7YA5
 | | Crystal structure analysis of cp1 bound BCL2/G101V | | 分子名称: | (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid, Apoptosis regulator Bcl-2, cp1 peptide | | 著者 | Li, F.W, Liu, C, Wu, C.L, Wu, D.L. | | 登録日 | 2022-06-27 | | 公開日 | 2023-11-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
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7YAA
 | | Crystal structure analysis of cp3 bound BCLxl | | 分子名称: | Bcl-2-like protein 1, GLYCEROL, N-(2-acetamidoethyl)-4-(4-methanoyl-1,3-thiazol-2-yl)benzamide, ... | | 著者 | Li, F.W, Liu, C, Wu, C.L, Wu, D.L. | | 登録日 | 2022-06-27 | | 公開日 | 2023-11-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
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6OQT
 | | E. coli ATP synthase State 1c | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | 著者 | Stewart, A.G, Sobti, M, Walshe, J.L. | | 登録日 | 2019-04-29 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch.
Nat Commun, 11, 2020
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6PQV
 | | E. coli ATP Synthase State 1e | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | 著者 | Stewart, A.G, Sobti, M, Walshe, J.L. | | 登録日 | 2019-07-10 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch.
Nat Commun, 11, 2020
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6RVV
 | | Structure of left-handed protein cage consisting of 24 eleven-membered ring proteins held together by gold (I) bridges. | | 分子名称: | GOLD ION, Transcription attenuation protein MtrB | | 著者 | Malay, A.D, Miyazaki, N, Biela, A.P, Iwasaki, K, Heddle, J.G. | | 登録日 | 2019-06-03 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | An ultra-stable gold-coordinated protein cage displaying reversible assembly.
Nature, 569, 2019
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6RVW
 | | Structure of right-handed protein cage consisting of 24 eleven-membered ring proteins held together by gold (I) bridges. | | 分子名称: | GOLD ION, Transcription attenuation protein MtrB | | 著者 | Malay, A.D, Miyazaki, N, Biela, A.P, Iwasaki, K, Heddle, J.G. | | 登録日 | 2019-06-03 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | An ultra-stable gold-coordinated protein cage displaying reversible assembly.
Nature, 569, 2019
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8K0B
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2EW7
 | | Crystal Structure of Helicobacter Pylori peptide deformylase | | 分子名称: | COBALT (II) ION, peptide deformylase | | 著者 | Cai, J. | | 登録日 | 2005-11-02 | | 公開日 | 2006-10-24 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation
Protein Sci., 15, 2006
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2EW6
 | | Structure of Helicobacter Pylori peptide deformylase in complex with inhibitor | | 分子名称: | (2E)-3-(3,4-DIHYDROXYPHENYL)-N-[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE, COBALT (II) ION, peptide deformylase | | 著者 | Cai, J. | | 登録日 | 2005-11-02 | | 公開日 | 2006-10-24 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation
Protein Sci., 15, 2006
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