8JDY
 
 | | Crystal structure of mLDHD in complex with 2-ketoisocaproic acid | | 分子名称: | 2-OXO-4-METHYLPENTANOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, MANGANESE (II) ION, ... | | 著者 | Jin, S, Chen, X, Yang, J, Ding, J. | | 登録日 | 2023-05-15 | | 公開日 | 2023-10-18 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Lactate dehydrogenase D is a general dehydrogenase for D-2-hydroxyacids and is associated with D-lactic acidosis.
Nat Commun, 14, 2023
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8JDP
 | | Crystal structure of H405A mLDHD in complex with D-2-hydroxyisovaleric acid | | 分子名称: | DEAMINOHYDROXYVALINE, FLAVIN-ADENINE DINUCLEOTIDE, Probable D-lactate dehydrogenase, ... | | 著者 | Jin, S, Chen, X, Yang, J, Ding, J. | | 登録日 | 2023-05-15 | | 公開日 | 2023-10-18 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Lactate dehydrogenase D is a general dehydrogenase for D-2-hydroxyacids and is associated with D-lactic acidosis.
Nat Commun, 14, 2023
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8JDR
 | | Crystal structure of H405A mLDHD in complex with D-2-hydroxy-3-methyl-valeric acid | | 分子名称: | (2R,3S)-3-methyl-2-oxidanyl-pentanoic acid, FLAVIN-ADENINE DINUCLEOTIDE, Probable D-lactate dehydrogenase, ... | | 著者 | Jin, S, Chen, X, Yang, J, Ding, J. | | 登録日 | 2023-05-15 | | 公開日 | 2023-10-18 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Lactate dehydrogenase D is a general dehydrogenase for D-2-hydroxyacids and is associated with D-lactic acidosis.
Nat Commun, 14, 2023
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7VF4
 | | Crystal structure of Vps75 from Candida albicans | | 分子名称: | CHLORIDE ION, SODIUM ION, Vps75 | | 著者 | Wang, W, Chen, X, Yang, Z, Chen, X, Li, C, Wang, M. | | 登録日 | 2021-09-10 | | 公開日 | 2021-10-06 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Crystal structure of histone chaperone Vps75 from Candida albicans.
Biochem.Biophys.Res.Commun., 578, 2021
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7CN9
 | | Cryo-EM structure of SARS-CoV-2 Spike ectodomain | | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Ho, M, Chang, Y, Wang, C, Wu, Y, Huang, H, Chen, T, Lo, J.M, Chen, X, Ma, C. | | 登録日 | 2020-07-30 | | 公開日 | 2020-08-26 | | 最終更新日 | 2021-03-10 | | 実験手法 | ELECTRON MICROSCOPY (4.7 Å) | | 主引用文献 | A Carbohydrate-Binding Protein from the Edible Lablab Beans Effectively Blocks the Infections of Influenza Viruses and SARS-CoV-2.
Cell Rep, 32, 2020
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7WF5
 | | c-Src in complex with ponatinib | | 分子名称: | 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Proto-oncogene tyrosine-protein kinase Src | | 著者 | Guo, M, Duan, Y, Dai, S, Chen, X, Chen, Y. | | 登録日 | 2021-12-26 | | 公開日 | 2022-03-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.798 Å) | | 主引用文献 | Structural study of ponatinib in inhibiting SRC kinase.
Biochem.Biophys.Res.Commun., 598, 2022
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7WLT
 | | the Curved Structure of mPIEZO1 in Lipid Bilayer | | 分子名称: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine, ... | | 著者 | Yang, X, Lin, C, Chen, X, Li, S, Li, X, Xiao, B. | | 登録日 | 2022-01-13 | | 公開日 | 2022-04-13 | | 最終更新日 | 2022-07-06 | | 実験手法 | ELECTRON MICROSCOPY (3.46 Å) | | 主引用文献 | Structure deformation and curvature sensing of PIEZO1 in lipid membranes.
Nature, 604, 2022
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7WLU
 | | The Flattened Structure of mPIEZO1 in Lipid Bilayer | | 分子名称: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, Piezo-type mechanosensitive ion channel component 1 | | 著者 | Yang, X, Lin, C, Chen, X, Li, S, Li, X, Xiao, B. | | 登録日 | 2022-01-13 | | 公開日 | 2022-04-13 | | 最終更新日 | 2022-07-06 | | 実験手法 | ELECTRON MICROSCOPY (6.81 Å) | | 主引用文献 | Structure deformation and curvature sensing of PIEZO1 in lipid membranes.
Nature, 604, 2022
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7YJI
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7VKO
 | | Crystal structure of TrkA kinase with repotrectinib | | 分子名称: | Repotrectinib, SULFATE ION, Tyrosine-protein kinase receptor | | 著者 | Murray, B.W, Rogers, E, Zhai, D, Deng, W, Chen, X, Sprengeler, P.A, Zhang, X, Graber, A, Reich, S.H, Stopatschinskaja, S, Solomon, B, Besse, B, Drilon, A. | | 登録日 | 2021-09-30 | | 公開日 | 2021-10-13 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations.
Mol.Cancer Ther., 20, 2021
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7VKM
 | | Crystal structure of TrkA (G595R) kinase domain | | 分子名称: | Tyrosine-protein kinase receptor | | 著者 | Murray, B.W, Rogers, E, Zhai, D, Deng, W, Chen, X, Sprengeler, P.A, Zhang, X, Graber, A, Reich, S.H, Stopatschinskaja, S, Solomon, B, Besse, B, Drilon, A. | | 登録日 | 2021-09-30 | | 公開日 | 2021-10-13 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations.
Mol.Cancer Ther., 20, 2021
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7VKN
 | | Crystal structure of TrkA (G595R) kinase with repotrectinib | | 分子名称: | Repotrectinib, SULFATE ION, Tyrosine-protein kinase receptor | | 著者 | Murray, B.W, Rogers, E, Zhai, D, Deng, W, Chen, X, Sprengeler, P.A, Zhang, X, Graber, A, Reich, S.H, Stopatschinskaja, S, Solomon, B, Besse, B, Drilon, A. | | 登録日 | 2021-09-30 | | 公開日 | 2021-10-13 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations.
Mol.Cancer Ther., 20, 2021
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7W6V
 | | Crystal structure of a dicobalt-substituted small laccase at 2.47 angstrom | | 分子名称: | COBALT (II) ION, Putative copper oxidase | | 著者 | Yang, X, Wu, F, Wu, W, Chen, X, Fan, S, Yu, P, Mao, L. | | 登録日 | 2021-12-02 | | 公開日 | 2022-11-09 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | A versatile artificial metalloenzyme scaffold enabling direct bioelectrocatalysis in solution.
Sci Adv, 8, 2022
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7YHN
 | | ANTI-TUMOR AGENT Y48 IN COMPLEX WITH TUBULIN | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-methyl-3-[(4-methylphenyl)sulfonylamino]-~{N}-[(6-methylpyridin-3-yl)methyl]benzamide, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Du, T, Ji, M, Hou, Z, Lin, S, Zhang, J, Wu, D, Zhang, K, Lu, D, Xu, H, Chen, X. | | 登録日 | 2022-07-14 | | 公開日 | 2023-07-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Optimization of Benzamide Derivatives as Potent and Orally Active Tubulin Inhibitors Targeting the Colchicine Binding Site.
J.Med.Chem., 65, 2022
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7DL2
 | | Cryo-EM structure of human TSC complex | | 分子名称: | Hamartin, Isoform 7 of Tuberin, TBC1 domain family member 7, ... | | 著者 | Yang, H, Yu, Z, Chen, X, Li, J, Li, N, Cheng, J, Gao, N, Yuan, H, Ye, D, Guan, K, Xu, Y. | | 登録日 | 2020-11-25 | | 公開日 | 2020-12-16 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | | 主引用文献 | Structural insights into TSC complex assembly and GAP activity on Rheb.
Nat Commun, 12, 2021
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7EKA
 | | crystal structure of epigallocatechin binding with alpha-lactalbumin | | 分子名称: | 2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-3,5,7-TRIOL, Alpha-lactalbumin | | 著者 | Ma, J, Yao, Q, Chen, X, Zang, J. | | 登録日 | 2021-04-05 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Weak Binding of Epigallocatechin to alpha-Lactalbumin Greatly Improves Its Stability and Uptake by Caco-2 Cells.
J.Agric.Food Chem., 69, 2021
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7CK6
 | | Protein translocase of mitochondria | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Mitochondrial import receptor subunit TOM22 homolog, Mitochondrial import receptor subunit TOM40 homolog, ... | | 著者 | Yang, M, Wang, W, Zhang, L, Chen, X. | | 登録日 | 2020-07-15 | | 公開日 | 2020-11-04 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Atomic structure of human TOM core complex.
Cell Discov, 6, 2020
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7VI7
 | | Crystal structure of GH3 beta-N-acetylhexosaminidase Amuc_2109 from Akkermansia muciniphila in complex with GlcNAc | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, Beta-N-acetylhexosaminidase, CHLORIDE ION, ... | | 著者 | Qian, K, Yang, W, Chen, X, Wang, Y, Zhang, M, Wang, M. | | 登録日 | 2021-09-26 | | 公開日 | 2021-12-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Functional and structural characterization of a GH3 beta-N-acetylhexosaminidase from Akkermansia muciniphila involved in mucin degradation
Biochem.Biophys.Res.Commun., 589, 2022
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7VI6
 | | Crystal structure of GH3 beta-N-acetylhexosaminidase Amuc_2109 from Akkermansia muciniphila | | 分子名称: | Beta-N-acetylhexosaminidase, CHLORIDE ION, MAGNESIUM ION | | 著者 | Qian, K, Yang, W, Chen, X, Wang, Y, Zhang, M, Wang, M. | | 登録日 | 2021-09-26 | | 公開日 | 2021-12-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Functional and structural characterization of a GH3 beta-N-acetylhexosaminidase from Akkermansia muciniphila involved in mucin degradation
Biochem.Biophys.Res.Commun., 589, 2022
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7YCL
 | | Crystal structure of SARS-CoV-2 Spike RBD in complex with IS-9A Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, IS-9A Fab heavy chain, IS-9A Fab light chain, ... | | 著者 | Mohapatra, A, Chen, X. | | 登録日 | 2022-07-01 | | 公開日 | 2023-02-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2.
Nat Commun, 14, 2023
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7YCN
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7YCK
 | | Crystal structure of SARS-CoV-2 Spike RBD in complex with FP-12A Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, FP-12A Fab heavy chain, FP-12A Fab light chain, ... | | 著者 | Nguyen, V.H.T, Chen, X. | | 登録日 | 2022-07-01 | | 公開日 | 2023-02-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2.
Nat Commun, 14, 2023
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8IGO
 | | Crystal structure of apo SARS-CoV-2 main protease | | 分子名称: | 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 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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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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8WIU
 | | Bromodomain and Extra-terminal Domain (BET) BRD4 | | 分子名称: | 7-[5-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]pyridin-3-yl]-1~{H}-imidazo[4,5-b]pyridine, Isoform C of Bromodomain-containing protein 4 | | 著者 | Cao, D, Zhiyan, D, Xiong, B. | | 登録日 | 2023-09-25 | | 公開日 | 2024-01-03 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Discovery of a brain-permeable bromodomain and extra terminal domain (BET) inhibitor with selectivity for BD1 for the treatment of multiple sclerosis.
Eur.J.Med.Chem., 265, 2023
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