6BYP
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6BYT
| Complex structure of LOR107 mutant (R320) with tetrasaccharide substrate | 分子名称: | 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-3-O-sulfo-alpha-L-rhamnopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-3-O-sulfo-alpha-L-rhamnopyranose, CALCIUM ION, GLYCEROL, ... | 著者 | Ulaganathan, T.S, Cygler, M. | 登録日 | 2017-12-21 | 公開日 | 2018-02-07 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure-function analyses of a PL24 family ulvan lyase reveal key features and suggest its catalytic mechanism. J. Biol. Chem., 293, 2018
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3V6R
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3V6S
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7SNO
| Structure of Bacple_01701(H214N), a 6-O-galactose porphyran sulfatase | 分子名称: | 1,2-ETHANEDIOL, 6-O-sulfo-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-6-O-sulfo-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose, Arylsulfatase, ... | 著者 | Ulaganathan, T, Cygler, M. | 登録日 | 2021-10-28 | 公開日 | 2022-10-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The porphyran degradation system of the human gut microbiota is complete, phylogenetically diverse and geographically structured across Asian populations Biorxiv, 2023
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7SNJ
| Structure of Bacple_01701, a 6-O-galactose porphyran sulfatase | 分子名称: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Arylsulfatase, ... | 著者 | Ulaganathan, T, Cygler, M. | 登録日 | 2021-10-28 | 公開日 | 2022-10-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | The porphyran degradation system of the human gut microbiota is complete, phylogenetically diverse and geographically structured across Asian populations Biorxiv, 2023
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7SNK
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6UVU
| Crystal structure of the AntR antimony-specific transcriptional repressor | 分子名称: | ArsR family transcriptional regulator | 著者 | Thiruselvam, V, Banumathi, S, Palani, K, Manohar, R, Rosen, B.P. | 登録日 | 2019-11-04 | 公開日 | 2020-11-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Functional and structural characterization of AntR, an Sb(III) responsive transcriptional repressor. Mol.Microbiol., 116, 2021
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8EP4
| Structure of Bacple_01703 | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, CALCIUM ION, ... | 著者 | Ulaganathan, T, Cygler, M. | 登録日 | 2022-10-05 | 公開日 | 2022-11-09 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | The porphyran degradation system of the human gut microbiota is complete, phylogenetically diverse and geographically structured across Asian populations Biorxiv, 2023
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7XDQ
| Crystal structure of a glucosylglycerol phosphorylase mutant from Marinobacter adhaerens | 分子名称: | Glucosylglycerol phosphorylase, LITHIUM ION, beta-D-glucopyranose | 著者 | Wei, H.L, Li, Q, Yang, J.G, Liu, W.D, Sun, Y.X. | 登録日 | 2022-03-28 | 公開日 | 2023-02-08 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | 主引用文献 | Protein Engineering of Glucosylglycerol Phosphorylase Facilitating Efficient and Highly Regio- and Stereoselective Glycosylation of Polyols in a Synthetic System. Acs Catalysis, 2022
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7XDR
| Crystal structure of a glucosylglycerol phosphorylase from Marinobacter adhaerens | 分子名称: | Glucosylglycerol phosphorylase | 著者 | Wei, H.L, Li, Q, Yang, J.G, Liu, W.D, Sun, Y.X. | 登録日 | 2022-03-28 | 公開日 | 2023-02-08 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Protein Engineering of Glucosylglycerol Phosphorylase Facilitating Efficient and Highly Regio- and Stereoselective Glycosylation of Polyols in a Synthetic System. Acs Catalysis, 2022
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7X98
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4X1N
| The crystal structure of mupain-1-16 in complex with murinised human uPA at pH7.4 | 分子名称: | Urokinase-type plasminogen activator, mupain-1-16, piperidine-1-carboximidamide | 著者 | Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M. | 登録日 | 2014-11-25 | 公開日 | 2015-03-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility. Plos One, 9, 2014
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7B34
| MST3 in complex with compound MRIA12 | 分子名称: | 1,2-ETHANEDIOL, 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranyl-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24 | 著者 | Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-11-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors. J.Med.Chem., 64, 2021
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7B36
| MST4 in complex with compound G-5555 | 分子名称: | 1,2-ETHANEDIOL, 8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, CHLORIDE ION, ... | 著者 | Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-11-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.10681081 Å) | 主引用文献 | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors. J.Med.Chem., 64, 2021
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7NXK
| Crystal structure of human Cdk12/Cyclin K in complex with the inhibitor BSJ-01-175 | 分子名称: | (E)-N-[4-[(1R,3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyphenyl]-4-(dimethylamino)but-2-enamide, Cyclin-K, Cyclin-dependent kinase 12 | 著者 | Anand, K, Dust, S, Kaltheuner, I.H, Geyer, M. | 登録日 | 2021-03-18 | 公開日 | 2021-05-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma. Eur.J.Med.Chem., 221, 2021
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7NXJ
| Crystal structure of human Cdk13/Cyclin K in complex with the inhibitor THZ531 | 分子名称: | Cyclin-K, Cyclin-dependent kinase 13, N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide | 著者 | Anand, K, Greifenberg, A.K, Kaltheuner, I.H, Geyer, M. | 登録日 | 2021-03-18 | 公開日 | 2021-05-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma. Eur.J.Med.Chem., 221, 2021
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8RDK
| Crystal structure of human Haspin (GSG2) kinase bound to MD420 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-pyridin-4-yl-1~{H}-pyrrolo[3,2-g]isoquinoline, Serine/threonine-protein kinase haspin, ... | 著者 | Kraemer, A, Defois, M, Giraud, F, Moreau, P, Anizon, F, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2023-12-08 | 公開日 | 2024-03-06 | 最終更新日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting. Eur.J.Med.Chem., 276, 2024
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8XB0
| Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with SAM and Compound 292 | 分子名称: | 1,2-ETHANEDIOL, 7-chloranyl-5-(2-cyclopropylpyridin-3-yl)-8-fluoranyl-2-methyl-pyrazolo[3,4-c]quinolin-4-one, CHLORIDE ION, ... | 著者 | Tong, S.L, Zhang, G.P. | 登録日 | 2023-12-05 | 公開日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | 主引用文献 | Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with High Selectivity, Brain Penetration, and In Vivo Efficacy. J.Med.Chem., 67, 2024
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8XAR
| Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with SAM and Compound 54 | 分子名称: | 1,2-ETHANEDIOL, 7-chloranyl-2-ethyl-5-pyridin-3-yl-pyrazolo[3,4-c]quinolin-4-one, CHLORIDE ION, ... | 著者 | Zheng, J.Y, Zhang, G.P, Li, J.J, Tong, S.L. | 登録日 | 2023-12-05 | 公開日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | 主引用文献 | Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with High Selectivity, Brain Penetration, and In Vivo Efficacy. J.Med.Chem., 67, 2024
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8Y93
| Structure of NET-Amitriptyline in outward-open state | 分子名称: | Amitriptyline, CHLORIDE ION, SODIUM ION, ... | 著者 | Zhang, H, Xu, E.H, Jiang, Y. | 登録日 | 2024-02-06 | 公開日 | 2024-05-29 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Dimerization and antidepressant recognition at noradrenaline transporter. Nature, 630, 2024
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8Y94
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8Y8Z
| Structure of NET-Maprotiline in outward-open state | 分子名称: | CHLORIDE ION, SODIUM ION, Sodium-dependent noradrenaline transporter, ... | 著者 | Zhang, H, Xu, E.H, Jiang, Y. | 登録日 | 2024-02-06 | 公開日 | 2024-05-29 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (3.29 Å) | 主引用文献 | Dimerization and antidepressant recognition at noradrenaline transporter. Nature, 630, 2024
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8Y95
| Structure of NET-NE in Occluded state | 分子名称: | CHLORIDE ION, Noradrenaline, SODIUM ION, ... | 著者 | Zhang, H, Xu, H.E, Jiang, Y. | 登録日 | 2024-02-06 | 公開日 | 2024-05-29 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (3.24 Å) | 主引用文献 | Dimerization and antidepressant recognition at noradrenaline transporter. Nature, 630, 2024
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8YR2
| Structure of NET-Nisoxetine in outward-open state | 分子名称: | CHLORIDE ION, CHOLESTEROL, SODIUM ION, ... | 著者 | Zhang, H, Xu, E.H, Jiang, Y. | 登録日 | 2024-03-20 | 公開日 | 2024-05-29 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (2.89 Å) | 主引用文献 | Dimerization and antidepressant recognition at noradrenaline transporter. Nature, 630, 2024
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