7EQS
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7EQW
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7ER1
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7ER0
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7MBO
| FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR Milvexian (BMS-986177), IUPAC NAME:(6R,10S)-10-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6- oxopyrimidin-1(6H)-yl}-1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-15,11- (metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6H)-one | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, Milvexian | 著者 | Sheriff, S. | 登録日 | 2021-04-01 | 公開日 | 2021-09-15 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (0.924 Å) | 主引用文献 | Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy. J.Med.Chem., 65, 2022
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7MSD
| Structure of EED bound to EEDi-6068 | 分子名称: | (9aP,12aR)-4-(2,2-difluoropropyl)-12-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,8,11,12a-pentaazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, FORMIC ACID, Polycomb protein EED | 著者 | Petrunak, E, Stuckey, J. | 登録日 | 2021-05-11 | 公開日 | 2021-10-20 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression. J.Med.Chem., 64, 2021
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7MSB
| Structure of EED bound to EEDi-4259 | 分子名称: | (9aM,12aS)-12-{[(5-fluoro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,11,12a-tetraazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, Polycomb protein EED | 著者 | Petrunak, E, Stuckey, J. | 登録日 | 2021-05-11 | 公開日 | 2021-10-20 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression. J.Med.Chem., 64, 2021
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5MIO
| KIF2C-DARPIN FUSION PROTEIN BOUND TO TUBULIN | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF2C,KIF2C FUSED TO A DARPIN,KIF2C FUSED TO A DARPIN, ... | 著者 | Wang, W, Gigant, B. | 登録日 | 2016-11-28 | 公開日 | 2017-07-19 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (3.19 Å) | 主引用文献 | Insight into microtubule disassembly by kinesin-13s from the structure of Kif2C bound to tubulin. Nat Commun, 8, 2017
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5CMZ
| Artificial HIV fusion inhibitor AP3 fused to the C-terminus of gp41 NHR | 分子名称: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Artificial HIV entry inhibitor AP3, ... | 著者 | Zhu, Y, Ye, S, Zhang, R. | 登録日 | 2015-07-17 | 公開日 | 2015-09-16 | 実験手法 | X-RAY DIFFRACTION (2.574 Å) | 主引用文献 | Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy. Sci Rep, 5, 2015
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5CN0
| Artificial HIV fusion inhibitor AP2 fused to the C-terminus of gp41 NHR | 分子名称: | DI(HYDROXYETHYL)ETHER, Envelope glycoprotein,AP2, MAGNESIUM ION | 著者 | Zhu, Y, Ye, S, Zhang, R. | 登録日 | 2015-07-17 | 公開日 | 2015-09-16 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | 主引用文献 | Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy. Sci Rep, 5, 2015
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5CMU
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4DRX
| GTP-Tubulin in complex with a DARPIN | 分子名称: | Designed ankyrin repeat protein (DARPIN) D1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Pecqueur, L, Gigant, B, Knossow, M. | 登録日 | 2012-02-17 | 公開日 | 2012-07-11 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | A designed ankyrin repeat protein selected to bind to tubulin caps the microtubule plus end. Proc.Natl.Acad.Sci.USA, 109, 2012
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4MC1
| HIV protease in complex with SA526P | 分子名称: | (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4S)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, Protease | 著者 | Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C. | 登録日 | 2013-08-21 | 公開日 | 2014-04-02 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis Tetrahedron, 2014
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4DRT
| Three dimensional structure of de novo designed serine hydrolase OSH26, Northeast Structural Genomics Consortium (NESG) target OR89 | 分子名称: | CHLORIDE ION, SODIUM ION, de novo designed serine hydrolase, ... | 著者 | Kuzin, A, Su, M, Rajagopalan, S, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2012-02-17 | 公開日 | 2012-04-18 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.002 Å) | 主引用文献 | Design of activated serine-containing catalytic triads with atomic-level accuracy. Nat.Chem.Biol., 10, 2014
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4MC9
| HIV protease in complex with AA74 | 分子名称: | (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C. | 登録日 | 2013-08-21 | 公開日 | 2014-04-02 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | 主引用文献 | Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis Tetrahedron, 2014
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6OB0
| Compound 2 bound structure of WT Lipoprotein Lipase in Complex with GPIHBP1 Mutant N78D N82D produced in HEK293-F cells | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Arora, R, Horton, P.A, Benson, T.E, Romanowski, M.J. | 登録日 | 2019-03-19 | 公開日 | 2019-05-08 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Structure of lipoprotein lipase in complex with GPIHBP1. Proc.Natl.Acad.Sci.USA, 116, 2019
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6OAU
| Apo Structure of WT Lipoprotein Lipase in Complex with GPIHBP1 Mutant N78D N82D produced in GnTI-deficient HEK293-F cells | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Glycosylphosphatidylinositol-anchored high density lipoprotein-binding protein 1, ... | 著者 | Arora, R, Horton, P.A, Benson, T.E, Romanowski, M.J. | 登録日 | 2019-03-18 | 公開日 | 2019-05-08 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Structure of lipoprotein lipase in complex with GPIHBP1. Proc.Natl.Acad.Sci.USA, 116, 2019
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6OWD
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5C93
| Histidine kinase with ATP | 分子名称: | Histidine kinase, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, SULFATE ION | 著者 | Cai, Y. | 登録日 | 2015-06-26 | 公開日 | 2016-07-27 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.518 Å) | 主引用文献 | Conformational dynamics of the essential sensor histidine kinase WalK. Acta Crystallogr D Struct Biol, 73, 2017
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4LV9
| 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, 7-chloro-3-methyl-2H-1,2,4-benzothiadiazine 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 (1.807 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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4LVF
| 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: | (1S,2S)-2-phenyl-N-(pyridin-4-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, 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 (1.5 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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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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6RGV
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8JIL
| Cryo-EM structure of niacin bound ketone body receptor HCAR2-Gi signaling complex | 分子名称: | CHOLESTEROL, 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 | Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H. | 登録日 | 2023-05-26 | 公開日 | 2023-09-06 | 最終更新日 | 2023-09-27 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation. Mol.Cell, 83, 2023
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8ZVF
| AtALMT9 plus high malate in low pH | 分子名称: | 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, Aluminum-activated malate transporter 9 | 著者 | Gong, D.S. | 登録日 | 2024-06-11 | 公開日 | 2024-09-25 | 実験手法 | ELECTRON MICROSCOPY (3.59 Å) | 主引用文献 | Structural insight into the Arabidopsis vacuolar anion channel ALMT9 shows clade specificity. Cell Rep, 43, 2024
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