9BFY
| Tri-complex of Compound-12, KRAS G12C, and CypA | 分子名称: | (3R)-N-[(2S)-1-{[(1M,8R,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methyl-1-propanoylpyrrolidine-3-carboxamide (non-preferred name), CHLORIDE ION, GTPase KRas, ... | 著者 | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | 登録日 | 2024-04-18 | 公開日 | 2024-06-12 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | 主引用文献 | Tri-complex of Compound-12, KRAS G12C, and CypA To be published
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6P3P
| Crystal structure of Mcl-1 in complex with compound 65 | 分子名称: | Induced myeloid leukemia cell differentiation protein Mcl-1, methyl N-(5-{[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl}-4-methylthiophene-2-carbonyl)-D-phenylalaninate | 著者 | Toms, A.V, Follows, B. | 登録日 | 2019-05-24 | 公開日 | 2019-07-03 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Discovery of novel biaryl sulfonamide based Mcl-1 inhibitors. Bioorg.Med.Chem.Lett., 29, 2019
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6TH2
| Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, CALCIUM ION, ... | 著者 | Mendes, V, Blaszczyk, M, Bryant, O, Cory-Wright, J, Blundell, T.L. | 登録日 | 2019-11-18 | 公開日 | 2020-11-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.844 Å) | 主引用文献 | Inhibiting Mycobacterium tuberculosis CoaBC by targeting an allosteric site. Nat Commun, 12, 2021
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6TGV
| Crystal structure of Mycobacterium smegmatis CoaBC in complex with CTP and FMN | 分子名称: | 1,2-ETHANEDIOL, CYTIDINE-5'-TRIPHOSPHATE, Coenzyme A biosynthesis bifunctional protein CoaBC, ... | 著者 | Mendes, V, Blaszczyk, M, Bryant, O, Cory-Wright, J, Blundell, T.L. | 登録日 | 2019-11-18 | 公開日 | 2020-11-25 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Inhibiting Mycobacterium tuberculosis CoaBC by targeting an allosteric site. Nat Commun, 12, 2021
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4LVA
| Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | 分子名称: | 1,2-ETHANEDIOL, N-(4-{[4-(pyrrolidin-1-yl)piperidin-1-yl]sulfonyl}benzyl)-2H-pyrido[4,3-e][1,2,4]thiadiazin-3-amine 1,1-dioxide, Nicotinamide phosphoribosyltransferase, ... | 著者 | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | 登録日 | 2013-07-26 | 公開日 | 2013-09-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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4WVD
| Identification of a novel FXR ligand that regulates metabolism | 分子名称: | (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, Bile acid receptor, FORMIC ACID, ... | 著者 | Wang, R, Li, Y. | 登録日 | 2014-11-05 | 公開日 | 2015-02-11 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | The antiparasitic drug ivermectin is a novel FXR ligand that regulates metabolism. Nat Commun, 4, 2013
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4M59
| Crystal structure of the pentatricopeptide repeat protein PPR10 in complex with an 18-nt psaJ RNA element | 分子名称: | Chloroplast pentatricopeptide repeat protein 10, PHOSPHATE ION, psaJ RNA | 著者 | Yin, P, Li, Q, Yan, C, Liu, Y, Yan, N. | 登録日 | 2013-08-08 | 公開日 | 2013-10-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | Structural basis for the modular recognition of single-stranded RNA by PPR proteins. Nature, 504, 2013
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4DSB
| Complex Structure of Abscisic Acid Receptor PYL3 with (+)-ABA in Spacegroup of I 212121 at 2.70A | 分子名称: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL3 | 著者 | Zhang, X, Zhang, Q, Chen, Z. | 登録日 | 2012-02-18 | 公開日 | 2012-06-06 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Complex Structures of the Abscisic Acid Receptor PYL3/RCAR13 Reveal a Unique Regulatory Mechanism Structure, 20, 2012
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5FGP
| Crystal structure of D. melanogaster Pur-alpha repeat I-II in complex with DNA. | 分子名称: | CG1507-PB, isoform B, CHLORIDE ION, ... | 著者 | Weber, J, Janowski, R, Niessing, D. | 登録日 | 2015-12-21 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural basis of nucleic-acid recognition and double-strand unwinding by the essential neuronal protein Pur-alpha. Elife, 5, 2016
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6J6M
| Co-crystal structure of BTK kinase domain with Zanubrutinib | 分子名称: | (7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, IMIDAZOLE, Tyrosine-protein kinase BTK | 著者 | Zhou, X, Hong, Y. | 登録日 | 2019-01-15 | 公開日 | 2019-10-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J.Med.Chem., 62, 2019
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5FGO
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7FIV
| Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CidA and CidBND1-ND2 from wPip(Tunis) | 分子名称: | CidA_I gamma/2 protein, CidB_I b/2 protein | 著者 | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | 登録日 | 2021-08-01 | 公開日 | 2022-04-06 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue. Nat Commun, 13, 2022
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7FIW
| Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CidAwMel(ST) and CidBND1-ND2 from wPip(Pel) | 分子名称: | ULP_PROTEASE domain-containing protein, bacteria factor 4,CidA I(Zeta/1) protein | 著者 | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | 登録日 | 2021-08-01 | 公開日 | 2022-04-06 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue. Nat Commun, 13, 2022
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7FIU
| Crystal structure of the DUB domain of Wolbachia cytoplasmic incompatibility factor CidB from wMel | 分子名称: | ULP_PROTEASE domain-containing protein | 著者 | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | 登録日 | 2021-08-01 | 公開日 | 2022-04-06 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue. Nat Commun, 13, 2022
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7FIT
| Crystal structure of Wolbachia cytoplasmic incompatibility factor CidA from wMel | 分子名称: | bacteria factor 1 | 著者 | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | 登録日 | 2021-08-01 | 公開日 | 2022-04-06 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue. Nat Commun, 13, 2022
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8BDP
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8BAL
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8BBL
| SGL a GH20 family sulfoglycosidase | 分子名称: | Beta-N-acetylhexosaminidase | 著者 | Dong, M.D, Roth, C.R, Jin, Y.J. | 登録日 | 2022-10-13 | 公開日 | 2023-01-11 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.711 Å) | 主引用文献 | Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases Acs Catalysis, 2022
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4WQ6
| The crystal structure of human Nicotinamide phosphoribosyltransferase (NAMPT) in complex with N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide inhibitor (compound 21) | 分子名称: | 1,2-ETHANEDIOL, N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | 著者 | Li, D, Wang, W. | 登録日 | 2014-10-21 | 公開日 | 2015-02-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Identification of nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with no evidence of CYP3A4 time-dependent inhibition and improved aqueous solubility. Bioorg.Med.Chem.Lett., 25, 2015
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6FWB
| Crystal structure of Mat2A at 1.79 Angstron resolution | 分子名称: | GLYCEROL, S-adenosylmethionine synthase isoform type-2, SODIUM ION, ... | 著者 | Zhou, A, Wei, Z, Bai, J, Wang, H. | 登録日 | 2018-03-06 | 公開日 | 2019-03-27 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Identification of a natural inhibitor of methionine adenosyltransferase 2A regulating one-carbon metabolism in keratinocytes. Ebiomedicine, 39, 2019
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8I4X
| Cryo-EM structure of 5-subunit Smc5/6 | 分子名称: | E3 SUMO-protein ligase MMS21, Non-structural maintenance of chromosome element 5, Nse6, ... | 著者 | Qian, L, Jun, Z, Xiang, Z, Zhaoning, W, Tong, C, Duo, J, Zhenguo, C, Wang, L. | 登録日 | 2023-01-21 | 公開日 | 2024-06-26 | 実験手法 | ELECTRON MICROSCOPY (8.5 Å) | 主引用文献 | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms. Nat.Struct.Mol.Biol., 2024
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8I13
| Cryo-EM structure of 6-subunit Smc5/6 | 分子名称: | MMS21 isoform 1, NSE3 isoform 1, Non-structural maintenance of chromosomes element 1 homolog, ... | 著者 | Qian, L, Jun, Z, Xiang, Z, Cheng, T, Zhaoning, W, Duo, J, Zhenguo, C, Wang, L. | 登録日 | 2023-01-12 | 公開日 | 2024-06-26 | 実験手法 | ELECTRON MICROSCOPY (6.9 Å) | 主引用文献 | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms. Nat.Struct.Mol.Biol., 2024
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8I4V
| Cryo-EM structure of 5-subunit Smc5/6 arm region | 分子名称: | DNA repair protein KRE29, E3 SUMO-protein ligase MMS21, Structural maintenance of chromosomes protein 5, ... | 著者 | Qian, L, Jun, Z, Xiang, Z, Cheng, T, Zhaoning, W, Zhenguo, C, Wang, L. | 登録日 | 2023-01-21 | 公開日 | 2024-06-26 | 実験手法 | ELECTRON MICROSCOPY (5.97 Å) | 主引用文献 | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms. Nat.Struct.Mol.Biol., 2024
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8I4W
| Cryo-EM structure of 5-subunit Smc5/6 head region | 分子名称: | DNA repair protein KRE29, Non-structural maintenance of chromosome element 5, Structural maintenance of chromosomes protein 5, ... | 著者 | Qian, L, Jun, Z, Xiang, Z, Zhaoning, W, Cheng, T, Duo, J, Zhenguo, C, Wang, L. | 登録日 | 2023-01-21 | 公開日 | 2024-06-26 | 実験手法 | ELECTRON MICROSCOPY (6.01 Å) | 主引用文献 | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms. Nat.Struct.Mol.Biol., 2024
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1JXK
| Role of ethe mobile loop in the mehanism of human salivary amylase | 分子名称: | Alpha-amylase, salivary, CALCIUM ION, ... | 著者 | Ramasubbu, N, Ragunath, C, Wang, Z. | 登録日 | 2001-09-07 | 公開日 | 2001-09-14 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Probing the role of a mobile loop in substrate binding and enzyme activity of human salivary amylase J.Mol.Biol., 325, 2003
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