5YFG
 
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5ZU6
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5ZU5
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5ZXN
 | | Crystal structure of CurA from Vibrio vulnificus | | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, NADP-dependent oxidoreductase | | 著者 | Kim, M.-K, Bae, D.-W, Cha, S.-S. | | 登録日 | 2018-05-21 | | 公開日 | 2019-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.855 Å) | | 主引用文献 | Structural and Biochemical Characterization of the Curcumin-Reducing Activity of CurA from Vibrio vulnificus.
J. Agric. Food Chem., 66, 2018
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5ZXU
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5GT1
 | | crystal structure of cbpa from L. salivarius REN | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Choline binding protein A, ... | | 著者 | Jiang, L, Ren, F. | | 登録日 | 2016-08-18 | | 公開日 | 2017-07-19 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | The Adhesion of Lactobacillus salivarius REN to a Human Intestinal Epithelial Cell Line Requires S-layer Proteins
Sci Rep, 7, 2017
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8UVL
 | | Crystal structure of selective IRE1a inhibitor 29 at the enzyme active site | | 分子名称: | 1,2-ETHANEDIOL, 1-phenyl-N-(2,3,6-trifluoro-4-{[(3M)-3-(2-{[(3R,5R)-5-fluoropiperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)methanesulfonamide, Serine/threonine-protein kinase/endoribonuclease IRE1 | | 著者 | Kiefer, J.R, Wallweber, H.A, Braun, M.-G, Wei, W, Jiang, F, Wang, W, Rudolph, J, Ashkenazi, A. | | 登録日 | 2023-11-03 | | 公開日 | 2024-05-29 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Discovery of Potent, Selective, and Orally Available IRE1 alpha Inhibitors Demonstrating Comparable PD Modulation to IRE1 Knockdown in a Multiple Myeloma Model.
J.Med.Chem., 67, 2024
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3H2X
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4JIK
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3F0G
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7EZP
 | | Indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 3-(3-hydroxy-3-oxopropyl)-5-(2-methylpropyl)-7-nitro-1H-indole-2-carboxylic acid, Fructose-1,6-bisphosphatase 1 | | 著者 | Wang, X.Y, Zhou, J, Xu, B.L. | | 登録日 | 2021-06-01 | | 公開日 | 2022-06-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Discovery of Novel Indole Derivatives as Fructose-1,6-bisphosphatase Inhibitors and X-ray Cocrystal Structures Analysis.
Acs Med.Chem.Lett., 13, 2022
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7EZR
 | | Indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 5-ethyl-7-nitro-3-[3-oxidanylidene-3-(thiophen-2-ylsulfonylamino)propyl]-1H-indole-2-carboxylic acid, Fructose-1,6-bisphosphatase 1 | | 著者 | Wang, X.Y, Zhou, J, Xu, B.L. | | 登録日 | 2021-06-01 | | 公開日 | 2022-06-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.27 Å) | | 主引用文献 | Discovery of Novel Indole Derivatives as Fructose-1,6-bisphosphatase Inhibitors and X-ray Cocrystal Structures Analysis.
Acs Med.Chem.Lett., 13, 2022
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7EZF
 | | Indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 7-chloranyl-5-ethyl-3-(3-hydroxy-3-oxopropyl)-1H-indole-2-carboxylic acid, Fructose-1,6-bisphosphatase 1 | | 著者 | Wang, X.Y, Zhou, J, Xu, B.L. | | 登録日 | 2021-06-01 | | 公開日 | 2022-06-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | | 主引用文献 | Discovery of Novel Indole Derivatives as Fructose-1,6-bisphosphatase Inhibitors and X-ray Cocrystal Structures Analysis.
Acs Med.Chem.Lett., 13, 2022
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3IKF
 | | Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with FOL fragment 717, imidazo[2,,1-b][1,3]thiazol-6-ylmethanol | | 分子名称: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ACETATE ION, CHLORIDE ION, ... | | 著者 | Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | 登録日 | 2009-08-05 | | 公開日 | 2009-08-18 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
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4NJ3
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6K4L
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6K4R
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6K4K
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2PIY
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7VQ1
 | | Structure of Apo-hsTRPM2 channel | | 分子名称: | Transient receptor potential cation channel subfamily M member 2 | | 著者 | Yu, X.F, Xie, Y, Zhang, X.K, Ma, C, Guo, J.T, Yang, F, Yang, W. | | 登録日 | 2021-10-18 | | 公開日 | 2021-12-22 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (3.76 Å) | | 主引用文献 | Structural and functional basis of the selectivity filter as a gate in human TRPM2 channel.
Cell Rep, 37, 2021
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7VQ2
 | | Structure of Apo-hsTRPM2 channel TM domain | | 分子名称: | Transient receptor potential cation channel subfamily M member 2 | | 著者 | Yu, X.F, Xie, Y, Zhang, X.K, Ma, C, Guo, J.T, Yang, F, Yang, W. | | 登録日 | 2021-10-18 | | 公開日 | 2021-12-22 | | 実験手法 | ELECTRON MICROSCOPY (3.68 Å) | | 主引用文献 | Structural and functional basis of the selectivity filter as a gate in human TRPM2 channel.
Cell Rep, 37, 2021
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8W8K
 | | Crystal structures of HSP90 and the compound Ganetespid in the "closed" conformation | | 分子名称: | 5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(1-methyl-1H-indol-5-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one, Heat shock protein HSP 90-alpha, MAGNESIUM ION | | 著者 | Xu, C, Zhang, X.L, Bai, F. | | 登録日 | 2023-09-03 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Accurate Characterization of Binding Kinetics and Allosteric Mechanisms for the HSP90 Chaperone Inhibitors Using AI-Augmented Integrative Biophysical Studies.
Jacs Au, 4, 2024
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8W4V
 | | Crystal structure of human HSP90 in complex with compound 4 | | 分子名称: | 4-[2-[(dimethylamino)methyl]phenyl]sulfanylbenzene-1,3-diol, Heat shock protein HSP 90-alpha, MAGNESIUM ION | | 著者 | Xu, C, Zhang, X.L, Bai, F. | | 登録日 | 2023-08-25 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Accurate Characterization of Binding Kinetics and Allosteric Mechanisms for the HSP90 Chaperone Inhibitors Using AI-Augmented Integrative Biophysical Studies.
Jacs Au, 4, 2024
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7XNS
 | | SARS-CoV-2 Omicron BA.2.12.1 variant spike | | 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 | Wang, X, Wang, L. | | 登録日 | 2022-04-29 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.48 Å) | | 主引用文献 | BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
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7XIY
 | | SARS-CoV-2 Omicron BA.3 variant spike | | 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 | Wang, X, Wang, L. | | 登録日 | 2022-04-14 | | 公開日 | 2022-07-13 | | 最終更新日 | 2022-08-31 | | 実験手法 | ELECTRON MICROSCOPY (3.07 Å) | | 主引用文献 | BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
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