5ZQM
 
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5ZQQ
 | | Tankyrase-2 in complex with compound 52 | | 分子名称: | 1-methyl-1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)spiro[indole-3,4'-piperidin]-2(1H)-one, GLYCEROL, PHOSPHATE ION, ... | | 著者 | Niwa, H, Shirai, F, Sato, S, Yoshimoto, N, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T. | | 登録日 | 2018-04-19 | | 公開日 | 2019-04-03 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors.
J. Med. Chem., 62, 2019
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4UBH
 | | Resting state of rat cysteine dioxygenase Y157F variant | | 分子名称: | CHLORIDE ION, Cysteine dioxygenase type 1, FE (II) ION, ... | | 著者 | Tchesnokov, E.P, Fellner, M, Jameson, G.N.L, Wilbanks, S.M. | | 登録日 | 2014-08-13 | | 公開日 | 2015-02-11 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Crystal structure of cysteine dioxygenase mutant
To be published
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8E8O
 | | Cryo-EM structure of human ME3 in the presence of citrate | | 分子名称: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent malic enzyme, mitochondrial | | 著者 | Yu, X, Grell, T.A.J, Shaffer, P.L, Steele, R, Sharma, S, Thompson, A.A, Tresadern, G, Ortiz-Meoz, R.F, Mason, M, Gomez-Tamayo, J.C, Riley, D, Wagner, M.V, Wadia, J. | | 登録日 | 2022-08-25 | | 公開日 | 2023-02-08 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (2.77 Å) | | 主引用文献 | Integrative structural and functional analysis of human malic enzyme 3: A potential therapeutic target for pancreatic cancer.
Heliyon, 8, 2022
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8E76
 | | Cryo-EM structure of Apo form ME3 | | 分子名称: | NADP-dependent malic enzyme, mitochondrial | | 著者 | Yu, X, Grell, T.A.J, Shaffer, P.L, Steele, R, Sharma, S, Thompson, A.A, Tresadern, G, Ortiz-Meoz, R.F, Mason, M, Gomez-Tamayo, J.C, Riley, D, Wagner, M.V, Wadia, J. | | 登録日 | 2022-08-23 | | 公開日 | 2023-02-08 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (2.51 Å) | | 主引用文献 | Integrative structural and functional analysis of human malic enzyme 3: A potential therapeutic target for pancreatic cancer.
Heliyon, 8, 2022
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6K7Z
 | | Crystal structure of a GH18 chitinase from Pseudoalteromonas aurantia | | 分子名称: | GH18 chiitnase | | 著者 | Wang, Y.J, Li, P.Y, Cao, H.Y, Chen, X.L, Zhang, Y.Z. | | 登録日 | 2019-06-10 | | 公開日 | 2020-06-10 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.799 Å) | | 主引用文献 | Structural Insight Into Chitin Degradation and Thermostability of a Novel Endochitinase From the Glycoside Hydrolase Family 18.
Front Microbiol, 10, 2019
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8E78
 | | Cryo-EM structure of human ME3 in the presence of citrate | | 分子名称: | NADP-dependent malic enzyme, mitochondrial | | 著者 | Yu, X, Grell, T.A.J, Shaffer, P.L, Steele, R, Sharma, S, Thompson, A.A, Tresadern, G, Ortiz-Meoz, R.F, Mason, M, Gomez-Tamayo, J.C, Riley, D, Wagner, M.V, Wadia, J. | | 登録日 | 2022-08-23 | | 公開日 | 2023-02-08 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (2.77 Å) | | 主引用文献 | Integrative structural and functional analysis of human malic enzyme 3: A potential therapeutic target for pancreatic cancer.
Heliyon, 8, 2022
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6JVF
 | | Crystal structure of human apo MTH1 | | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase | | 著者 | Peng, C, Cheng, Y.S. | | 登録日 | 2019-04-17 | | 公開日 | 2020-10-28 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
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4U7G
 | | Oxidized quinone reductase 2 in complex with CK2 inhibitor TBBz | | 分子名称: | 4,5,6,7-TETRABROMO-BENZIMIDAZOLE, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | | 著者 | Leung, K.K, Shilton, B.H. | | 登録日 | 2014-07-30 | | 公開日 | 2015-02-11 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Quinone Reductase 2 Is an Adventitious Target of Protein Kinase CK2 Inhibitors TBBz (TBI) and DMAT.
Biochemistry, 54, 2015
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6JVL
 | | Crystal structure of human MTH1 in complex with compound MI1014 | | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-5-ethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine | | 著者 | Peng, C, Li, Y.H, Cheng, Y.S. | | 登録日 | 2019-04-17 | | 公開日 | 2020-10-28 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
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8E5U
 | | Co-crystal structure of Chaetomium glucosidase with compound 9 | | 分子名称: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-(6-{2-nitro-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]anilino}hexyl)piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Karade, S.S, Mariuzza, R.A. | | 登録日 | 2022-08-22 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
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6KDF
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8E3J
 | | Co-crystal structure of Chaetomium glucosidase with compound 4 | | 分子名称: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{6-[2-nitro-4-(pyrimidin-2-yl)anilino]hexyl}piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chaetomium alpha glucosidase, ... | | 著者 | Karade, S.S, Mariuzza, R.A. | | 登録日 | 2022-08-17 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
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5ZX5
 | | 3.3 angstrom structure of mouse TRPM7 with EDTA | | 分子名称: | CHOLESTEROL HEMISUCCINATE, Transient receptor potential cation channel subfamily M member 7 | | 著者 | Zhang, J, Li, Z, Duan, J, Li, J, Hulse, R.E, Santa-Cruz, A, Abiria, S.A, Krapivinsky, G, Clapham, D.E. | | 登録日 | 2018-05-18 | | 公開日 | 2018-10-17 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.28 Å) | | 主引用文献 | Structure of the mammalian TRPM7, a magnesium channel required during embryonic development.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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8E3P
 | | Co-crystal structure of Chaetomium glucosidase with compound 5 | | 分子名称: | (2S,3S,4S,5R)-2-(hydroxymethyl)-1-{6-[3-nitro-5-(pyridin-4-yl)anilino]hexyl}piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chaetomium alpha glucosidase, ... | | 著者 | Karade, S.S, Mariuzza, R.A. | | 登録日 | 2022-08-17 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
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8E4Z
 | | Co-crystal structure of Chaetomium glucosidase with compound 8 | | 分子名称: | (2R,3R,4R,5S)-1-(6-{[(4P)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-nitrophenyl]amino}hexyl)-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Karade, S.S, Mariuzza, R.A. | | 登録日 | 2022-08-19 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
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8ECW
 | | Co-crystal structure of Chaetomium glucosidase with compound 11 | | 分子名称: | (2R,3R,4R,5S)-1-{2-[4-(2-{[(5M)-3-chloro-5-(pyridazin-3-yl)phenyl]amino}ethyl)phenyl]ethyl}-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chaetomium alpha glucosidase, ... | | 著者 | Karade, S.S, Mariuzza, R.A. | | 登録日 | 2022-09-02 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
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8EFG
 | | Crystal structure of human TATDN1 bound to dAMP and two zinc ions | | 分子名称: | (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, ADENINE, ... | | 著者 | Dorival, J, Eichman, B.F. | | 登録日 | 2022-09-08 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Human and bacterial TatD enzymes exhibit apurinic/apyrimidinic (AP) endonuclease activity.
Nucleic Acids Res., 51, 2023
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6JZ6
 | | b-glucuronidase from Ruminococcus gnavus in complex with C6-substituted uronic isofagomine | | 分子名称: | (2~{S},3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-2-propyl-piperidine-3-carboxylic acid, Beta-glucuronidase | | 著者 | Dashnyam, P, Lin, H.Y. | | 登録日 | 2019-04-30 | | 公開日 | 2020-06-10 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.605 Å) | | 主引用文献 | Substituent Position of Iminocyclitols Determines the Potency and Selectivity for Gut Microbial Xenobiotic-Reactivating Enzymes.
J.Med.Chem., 63, 2020
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6AAF
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8EBM
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8E4I
 | | Co-crystal structure of Chaetomium glucosidase with compound 6 | | 分子名称: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-(6-{[(4P)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-nitrophenyl]amino}hexyl)piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Karade, S.S, Mariuzza, R.A. | | 登録日 | 2022-08-18 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
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8EBN
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8E6G
 | | Co-crystal structure of Chaetomium glucosidase with compound 10 | | 分子名称: | (2R,3R,4R,5S)-1-(6-{[(5M)-3-cyclopropyl-5-(pyridazin-3-yl)phenyl]amino}hexyl)-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Karade, S.S, Mariuzza, R.A. | | 登録日 | 2022-08-22 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
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4U6H
 | | Vaccinia L1/M12B9-Fab complex | | 分子名称: | Heavy chain of murine anti-vaccinia L1 IgG2a antibody M12B9, Light chain of murine anti-vaccinia L1 IgG2a antibody M12B9, Protein L1 | | 著者 | Matho, M.H, Schlossman, A, Zajonc, D.M. | | 登録日 | 2014-07-29 | | 公開日 | 2014-08-06 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Potent neutralization of vaccinia virus by divergent murine antibodies targeting a common site of vulnerability in l1 protein.
J.Virol., 88, 2014
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