8TV7
 
 | | SARS-CoV-2 Mac1 in complex with MDOLL-0229 | | 分子名称: | (1R,2R)-2-{[3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid, GLYCEROL, Papain-like protease nsp3 | | 著者 | Wazir, S, Maksimainen, M, Lehtio, L. | | 登録日 | 2023-08-17 | | 公開日 | 2024-04-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Discovery of 2-Amide-3-methylester Thiophenes that Target SARS-CoV-2 Mac1 and Repress Coronavirus Replication, Validating Mac1 as an Antiviral Target.
J.Med.Chem., 67, 2024
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1NU5
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2JIS
 | | Human cysteine sulfinic acid decarboxylase (CSAD) in complex with PLP. | | 分子名称: | CYSTEINE SULFINIC ACID DECARBOXYLASE, NITRATE ION, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Collins, R, Moche, M, Arrowsmith, C, Berglund, H, Busam, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nordlund, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Welin, M, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC) | | 登録日 | 2007-06-30 | | 公開日 | 2007-08-28 | | 最終更新日 | 2015-04-22 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | The Crystal Structure of Human Cysteine Sulfinic Acid Decarboxylase (Csad)
To be Published
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6Y4Z
 | | The crystal structure of human MACROD2 in space group P43212 | | 分子名称: | L(+)-TARTARIC ACID, Thioredoxin 1,ADP-ribose glycohydrolase MACROD2 | | 著者 | Wazir, S, Maksimainen, M.M, Lehtio, L. | | 登録日 | 2020-02-24 | | 公開日 | 2020-09-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Multiple crystal forms of human MacroD2.
Acta Crystallogr.,Sect.F, 76, 2020
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6Y4Y
 | | The crystal structure of human MACROD2 in space group P41212 | | 分子名称: | L(+)-TARTARIC ACID, Thioredoxin 1,ADP-ribose glycohydrolase MACROD2 | | 著者 | Wazir, S, Maksimainen, M.M, Lehtio, L. | | 登録日 | 2020-02-24 | | 公開日 | 2020-09-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Multiple crystal forms of human MacroD2.
Acta Crystallogr.,Sect.F, 76, 2020
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6Y73
 | | The crystal structure of human MACROD2 in space group P43 | | 分子名称: | ADP-ribose glycohydrolase MACROD2, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Wazir, S, Maksimainen, M.M, Lehtio, L. | | 登録日 | 2020-02-28 | | 公開日 | 2020-09-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Multiple crystal forms of human MacroD2.
Acta Crystallogr.,Sect.F, 76, 2020
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7R3L
 | | PARP14 catalytic domain in complex with OUL40 | | 分子名称: | 6-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, CHLORIDE ION, Poly [ADP-ribose] polymerase 14, ... | | 著者 | Maksimainen, M.M, Murthy, S, Lehtio, L. | | 登録日 | 2022-02-07 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | [1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes.
J.Med.Chem., 66, 2023
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7R4A
 | | PARP15 catalytic domain in complex with OUL188 | | 分子名称: | 6,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | | 著者 | Murthy, S, Maksimainen, M.M, Lehtio, L. | | 登録日 | 2022-02-08 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | [1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes.
J.Med.Chem., 66, 2023
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7R59
 | | PARP2 catalytic domain in complex with OUL245 | | 分子名称: | GLYCEROL, Poly [ADP-ribose] polymerase 2, [1,2,4]triazolo[3,4-b][1,3]benzothiazol-6-ol | | 著者 | Galera-Prat, A, Maksimainen, M.M, Lehtio, L. | | 登録日 | 2022-02-10 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | [1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes.
J.Med.Chem., 66, 2023
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7R3O
 | | PARP15 catalytic domain in complex with OUL40 | | 分子名称: | 6-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | | 著者 | Maksimainen, M.M, Murthy, S, Lehtio, L. | | 登録日 | 2022-02-07 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | [1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes.
J.Med.Chem., 66, 2023
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7R3Z
 | | Tankyrase 2 catalytic domain in complex with OUL40 | | 分子名称: | 6-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, GLYCEROL, Poly [ADP-ribose] polymerase tankyrase-2, ... | | 著者 | Murthy, S, Venkannagari, H, Maksimainen, M.M, Lehtio, L. | | 登録日 | 2022-02-08 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | [1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes.
J.Med.Chem., 66, 2023
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7AAH
 | | Structure of human pERp1 | | 分子名称: | CITRIC ACID, Marginal zone B- and B1-cell-specific protein | | 著者 | Sowa, S.T, Moilanen, A, Biterova, E, Saaranen, M.J, Lehtio, L, Ruddock, L.W. | | 登録日 | 2020-09-04 | | 公開日 | 2021-01-27 | | 最終更新日 | 2021-02-10 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | High-resolution Crystal Structure of Human pERp1, A Saposin-like Protein Involved in IgA, IgM and Integrin Maturation in the Endoplasmic Reticulum.
J.Mol.Biol., 433, 2021
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7R5D
 | | PARP15 catalytic domain in complex with OUL234 | | 分子名称: | 6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | | 著者 | Maksimainen, M.M, Lehtio, L. | | 登録日 | 2022-02-10 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | [1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes.
J.Med.Chem., 66, 2023
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7R5X
 | | Tankyrase 2 in complex with an inhibitor (OUL211) | | 分子名称: | 7-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, GLYCEROL, Poly [ADP-ribose] polymerase tankyrase-2, ... | | 著者 | Sowa, S.T, Lehtio, L. | | 登録日 | 2022-02-11 | | 公開日 | 2023-02-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.052 Å) | | 主引用文献 | [1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes.
J.Med.Chem., 66, 2023
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2ENX
 | | Structure of the family II inorganic pyrophosphatase from Streptococcus agalactiae at 2.8 resolution | | 分子名称: | IMIDODIPHOSPHORIC ACID, MAGNESIUM ION, MANGANESE (II) ION, ... | | 著者 | Rantanen, M.K, Lehtio, L, Rajagopal, L, Rubens, C.E, Goldman, A. | | 登録日 | 2007-03-28 | | 公開日 | 2007-05-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure of the Streptococcus agalactiae family II inorganic pyrophosphatase at 2.80 A resolution
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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2JI4
 | | Human phosphoribosylpyrophosphate synthetase - associated protein 41 (PAP41) | | 分子名称: | CHLORIDE ION, PHOSPHORIBOSYL PYROPHOSPHATE SYNTHETASE-ASSOCIATED PROTEIN 2 | | 著者 | Moche, M, Lehtio, L, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Karlberg, T, Kotenyova, T, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Nordlund, P. | | 登録日 | 2007-02-26 | | 公開日 | 2007-03-06 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Human Phosphoribosylpyrophosphate Synthetase -Associated Protein 41 (Pap41)
To be Published
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5NOB
 | | Crystal structure of human tankyrase 2 in complex with OD336 | | 分子名称: | 1-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-2-oxidanylidene-3~{H}-benzimidazole-5-carbonitrile, Tankyrase-2, ZINC ION | | 著者 | Ignatev, A, Lehtio, L. | | 登録日 | 2017-04-11 | | 公開日 | 2017-11-29 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Discovery of a Novel Series of Tankyrase Inhibitors by a Hybridization Approach.
J. Med. Chem., 60, 2017
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4UFY
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4UHG
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4UI8
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4UI4
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4UI3
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4UI7
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4UI6
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4UI5
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