2OK3
 
 | | X-ray structure of human cyclophilin J at 2.0 angstrom | | 分子名称: | NICKEL (II) ION, Peptidyl-prolyl cis-trans isomerase-like 3 | | 著者 | Xia, Z. | | 登録日 | 2007-01-15 | | 公開日 | 2008-01-22 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Targeting Cyclophilin J, a novel peptidyl-prolyl isomerase, can induce cellular G1/S arrest and repress the growth of Hepatocellular carcinoma
To be Published
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4K1J
 | | Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding | | 分子名称: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Wu, Y, Gao, F, Qi, J.X, Gao, G.F. | | 登録日 | 2013-04-05 | | 公開日 | 2013-06-05 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding
Sci Rep, 3, 2013
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7YSX
 | | Crystal structure of PDE4D complexed with licoisoflavone A | | 分子名称: | 1,2-ETHANEDIOL, 3-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ... | | 著者 | Liu, J.Y, Li, M.J, Xu, Y.C. | | 登録日 | 2022-08-13 | | 公開日 | 2023-07-12 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Bioactive compounds from Huashi Baidu decoction possess both antiviral and anti-inflammatory effects against COVID-19.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7YQF
 | | Crystal structure of PDE4D complexed with glycyrrhisoflavone | | 分子名称: | 1,2-ETHANEDIOL, 3-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ... | | 著者 | Liu, J.Y, Li, M.J, Xu, Y.C. | | 登録日 | 2022-08-06 | | 公開日 | 2023-07-12 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Bioactive compounds from Huashi Baidu decoction possess both antiviral and anti-inflammatory effects against COVID-19.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7X1R
 | | Cryo-EM structure of human thioredoxin reductase bound by Au | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GOLD ION, Thioredoxin reductase 1, ... | | 著者 | He, Z.S, Cao, P, Cao, S.H, He, B, Jiang, H.D, Gong, Y, Gao, X.Y. | | 登録日 | 2022-02-24 | | 公開日 | 2022-12-14 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Au4 cluster inhibits human thioredoxin reductase activity via specifically binding of Au to Cys189
Nano Today, 47, 2022
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7VD4
 | | Crystal structure of BPTF-BRD with ligand TP248 bound | | 分子名称: | 6-[4-[3-(dimethylamino)propoxy]phenyl]-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF | | 著者 | Lu, T, Lu, H.B. | | 登録日 | 2021-09-06 | | 公開日 | 2022-09-14 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.85659146 Å) | | 主引用文献 | Discovery of a highly potent CECR2 bromodomain inhibitor with 7H-pyrrolo[2,3-d] pyrimidine scaffold.
Bioorg.Chem., 123, 2022
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6GQF
 | | The structure of mouse AsterA (GramD1a) with 25-hydroxy cholesterol | | 分子名称: | 25-HYDROXYCHOLESTEROL, GLYCEROL, GRAM domain-containing protein 1A | | 著者 | Fairall, L, Gurnett, J.E, Vashi, D, Sandhu, J, Tontonoz, P, Schwabe, J.W.R. | | 登録日 | 2018-06-07 | | 公開日 | 2018-09-26 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Aster Proteins Facilitate Nonvesicular Plasma Membrane to ER Cholesterol Transport in Mammalian Cells.
Cell, 175, 2018
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6ITP
 | | Crystal structure of cortisol complexed with its nanobody at pH 3.5 | | 分子名称: | (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, anti-cortisol camelid antibody | | 著者 | Ding, Y, Ding, L.L, Wang, Z.Y, Zhong, P.Y. | | 登録日 | 2018-11-24 | | 公開日 | 2019-07-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.572 Å) | | 主引用文献 | Structural insights into the mechanism of single domain VHH antibody binding to cortisol.
Febs Lett., 593, 2019
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6IR2
 | | Crystal structure of red fluorescent protein mCherry complexed with the nanobody LaM2 at 1.4 Angstron resolution | | 分子名称: | MCherry fluorescent protein, mCherry's nanobody LaM2 | | 著者 | Ding, Y, Wang, Z.Y, Hu, R.T, Chen, X. | | 登録日 | 2018-11-09 | | 公開日 | 2019-11-13 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.393 Å) | | 主引用文献 | Structural insights into the binding of nanobodies LaM2 and LaM4 to the red fluorescent protein mCherry.
Protein Sci., 30, 2021
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6ITQ
 | | Crystal structure of cortisol complexed with its nanobody at pH 10.5 | | 分子名称: | (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, SULFATE ION, anti-cortisol camelid antibody | | 著者 | Ding, Y, Ding, L.L, Wang, Z.Y, Zhong, P.Y. | | 登録日 | 2018-11-24 | | 公開日 | 2019-07-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.526 Å) | | 主引用文献 | Structural insights into the mechanism of single domain VHH antibody binding to cortisol.
Febs Lett., 593, 2019
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6IV9
 | | the Cas13d binary complex | | 分子名称: | Cas13d, MAGNESIUM ION, crRNA (50-MER) | | 著者 | Zhang, B, Ye, Y.M, Ye, W.W, OuYang, S.Y. | | 登録日 | 2018-12-02 | | 公開日 | 2019-06-19 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Two HEPN domains dictate CRISPR RNA maturation and target cleavage in Cas13d.
Nat Commun, 10, 2019
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6IV8
 | | the selenomethionine(SeMet)-derived Cas13d binary complex | | 分子名称: | MAGNESIUM ION, RNA (51-MER), RNA (53-MER), ... | | 著者 | Zhang, B, Ye, Y.M, Ye, W.W, OuYang, S.Y. | | 登録日 | 2018-12-02 | | 公開日 | 2019-06-19 | | 最終更新日 | 2019-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Two HEPN domains dictate CRISPR RNA maturation and target cleavage in Cas13d.
Nat Commun, 10, 2019
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5V2N
 | | Crystal Structure of APO Human SETD8 | | 分子名称: | 1,2-ETHANEDIOL, N-lysine methyltransferase KMT5A | | 著者 | Skene, R.J. | | 登録日 | 2017-03-05 | | 公開日 | 2018-03-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The dynamic conformational landscape of the protein methyltransferase SETD8.
Elife, 8, 2019
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6IR1
 | | Crystal structure of red fluorescent protein mCherry complexed with the nanobody LaM4 at 1.9 Angstron resolution | | 分子名称: | MCherry fluorescent protein, mCherry's nanobody LaM4 | | 著者 | Ding, Y, Wang, Z.Y, Hu, R.T, Chen, X. | | 登録日 | 2018-11-09 | | 公開日 | 2019-11-13 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.919 Å) | | 主引用文献 | Structural insights into the binding of nanobodies LaM2 and LaM4 to the red fluorescent protein mCherry.
Protein Sci., 30, 2021
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5Y2F
 | | Human SIRT6 in complex with allosteric activator MDL-801 | | 分子名称: | 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, 9-mer peptide QTARKSTGG, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Zhang, J, Huang, Z, Song, K. | | 登録日 | 2017-07-25 | | 公開日 | 2018-11-07 | | 最終更新日 | 2018-11-28 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | Identification of a cellularly active SIRT6 allosteric activator.
Nat. Chem. Biol., 14, 2018
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6AKR
 | | Crystal structure of the PDE4D catalytic domain in complex with osthole | | 分子名称: | 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one, ZINC ION, cAMP-specific 3',5'-cyclic phosphodiesterase 4D | | 著者 | Wang, S, Huo, Y.W, Xie, Y. | | 登録日 | 2018-09-03 | | 公開日 | 2020-02-12 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.326 Å) | | 主引用文献 | Airway relaxation mechanisms and structural basis of osthole for improving lung function in asthma.
Sci.Signal., 13, 2020
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5XAF
 | | Crystal structure of tubulin-stathmin-TTL-Compound Z1 complex | | 分子名称: | (3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | 著者 | Zhang, H, Luo, C, Wang, Y. | | 登録日 | 2017-03-12 | | 公開日 | 2017-12-20 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.551 Å) | | 主引用文献 | Design, synthesis, biological evaluation and cocrystal structures with tubulin of chiral beta-lactam bridged combretastatin A-4 analogues as potent antitumor agents
Eur J Med Chem, 144, 2017
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5XAG
 | | Crystal structure of tubulin-stathmin-TTL-Compound Z2 complex | | 分子名称: | (3~{R},4~{R})-3-(hydroxymethyl)-4-(4-methoxy-3-oxidanyl-phenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | 著者 | Zhang, H, Luo, C, Wang, Y. | | 登録日 | 2017-03-12 | | 公開日 | 2018-01-03 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | | 主引用文献 | Design, synthesis, biological evaluation and cocrystal structures with tubulin of chiral beta-lactam bridged combretastatin A-4 analogues as potent antitumor agents
Eur J Med Chem, 144, 2017
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6BTI
 | | Crystal structure of human cellular retinol binding protein 2 (CRBP2) in complex with N-arachidonoylethanolamine (AEA) | | 分子名称: | (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide, DI(HYDROXYETHYL)ETHER, Retinol-binding protein 2 | | 著者 | Silvaroli, J.A, Blaner, W.S, Lodowski, D.T, Golczak, M. | | 登録日 | 2017-12-06 | | 公開日 | 2018-12-12 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Retinol-binding protein 2 (RBP2) binds monoacylglycerols and modulates gut endocrine signaling and body weight.
Sci Adv, 6, 2020
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6BTH
 | | Crystal structure of human cellular retinol binding protein 2 (CRBP2) in complex with 2-arachidonoylglycerol (2-AG) | | 分子名称: | 1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, DI(HYDROXYETHYL)ETHER, Retinol-binding protein 2 | | 著者 | Silvaroli, J.A, Blaner, W.S, Lodowski, D.T, Golczak, M. | | 登録日 | 2017-12-06 | | 公開日 | 2018-12-12 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Retinol-binding protein 2 (RBP2) binds monoacylglycerols and modulates gut endocrine signaling and body weight.
Sci Adv, 6, 2020
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7VKT
 | | cryo-EM structure of LTB4-bound BLT1 in complex with Gi protein | | 分子名称: | CHOLESTEROL HEMISUCCINATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | He, Y, Wang, N. | | 登録日 | 2021-10-01 | | 公開日 | 2022-03-09 | | 最終更新日 | 2022-03-23 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Structural basis of leukotriene B4 receptor 1 activation.
Nat Commun, 13, 2022
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4NWV
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4OEW
 | | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | | 分子名称: | 6-ethyl-5-iodo-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | | 著者 | Chen, T.T, Ren, J, Xu, Y.C. | | 登録日 | 2014-01-14 | | 公開日 | 2015-04-01 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Thermodynamic and structural characterization of halogen bonding in protein-ligand interactions: a case study of PDE5 and its inhibitors.
J.Med.Chem., 57, 2014
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4OEX
 | | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | | 分子名称: | 6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | | 著者 | Chen, T.T, Ren, J, Xu, Y.C. | | 登録日 | 2014-01-14 | | 公開日 | 2015-04-01 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Thermodynamic and structural characterization of halogen bonding in protein-ligand interactions: a case study of PDE5 and its inhibitors.
J.Med.Chem., 57, 2014
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8IGN
 | | Crystal structure of SARS-CoV-2 main protease in complex with RAY1216 | | 分子名称: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5 | | 著者 | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | | 登録日 | 2023-02-21 | | 公開日 | 2023-04-05 | | 最終更新日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
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