7A4Q
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2RG8
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5O9P
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![BU of 5o9p by Molmil](/molmil-images/mine/5o9p) | Crystal structure of Gas2 in complex with compound 10 | 分子名称: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(pyridin-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2 | 著者 | Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R. | 登録日 | 2017-06-19 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Inhibitors against Fungal Cell Wall Remodeling Enzymes. ChemMedChem, 13, 2018
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5O9R
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![BU of 5o9r by Molmil](/molmil-images/mine/5o9r) | Crystal structure of ScGas2 in complex with compound 9 | 分子名称: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(thiophen-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2, ... | 著者 | Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R. | 登録日 | 2017-06-20 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Inhibitors against Fungal Cell Wall Remodeling Enzymes. ChemMedChem, 13, 2018
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6PKE
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![BU of 6pke by Molmil](/molmil-images/mine/6pke) | Myocilin OLF mutant N428E/D478S | 分子名称: | Myocilin | 著者 | Lieberman, R.L, Hill, S.E. | 登録日 | 2019-06-29 | 公開日 | 2019-09-11 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Calcium-ligand variants of the myocilin olfactomedin propeller selected from invertebrate phyla reveal cross-talk with N-terminal blade and surface helices. Acta Crystallogr D Struct Biol, 75, 2019
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2XYW
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2XYX
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8B0D
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![BU of 8b0d by Molmil](/molmil-images/mine/8b0d) | Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor VB151 | 分子名称: | (1~{S},2~{R},3~{R},4~{S},6~{S})-2-(2-acetamidoethoxy)-3,4,6-tris(oxidanyl)cyclohexane-1-carboxylic acid, ALANINE, SULFATE ION, ... | 著者 | Armstrong, Z, Davies, G.J. | 登録日 | 2022-09-07 | 公開日 | 2022-12-28 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | 4-O-Substituted Glucuronic Cyclophellitols are Selective Mechanism-Based Heparanase Inhibitors. Chemmedchem, 18, 2023
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8B0E
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![BU of 8b0e by Molmil](/molmil-images/mine/8b0e) | Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor VB158 | 分子名称: | (1~{S},2~{R},3~{R},4~{S},6~{S})-3,4,6-tris(oxidanyl)-2-[2-[2,2,2-tris(fluoranyl)ethanoylamino]ethoxy]cyclohexane-1-carboxylic acid, beta-glucuronidase from Acidobacterium capsulatum | 著者 | Armstrong, Z, Davies, G.J. | 登録日 | 2022-09-07 | 公開日 | 2022-12-28 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | 4-O-Substituted Glucuronic Cyclophellitols are Selective Mechanism-Based Heparanase Inhibitors. Chemmedchem, 18, 2023
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6PKF
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![BU of 6pkf by Molmil](/molmil-images/mine/6pkf) | Myocilin OLF mutant N428E/D478K | 分子名称: | GLYCEROL, Myocilin | 著者 | Lieberman, R.L, Hill, S.E. | 登録日 | 2019-06-29 | 公開日 | 2019-09-11 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.484 Å) | 主引用文献 | Calcium-ligand variants of the myocilin olfactomedin propeller selected from invertebrate phyla reveal cross-talk with N-terminal blade and surface helices. Acta Crystallogr D Struct Biol, 75, 2019
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5NTQ
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3T74
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![BU of 3t74 by Molmil](/molmil-images/mine/3t74) | Thermolysin In Complex With UBTLN27 | 分子名称: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Biela, A, Heine, A, Klebe, G. | 登録日 | 2011-07-29 | 公開日 | 2012-08-01 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | Water makes the difference: rearrangement of water solvation layer triggers non-additivity of functional group contributions in protein-ligand binding. Chemmedchem, 7, 2012
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6PKD
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![BU of 6pkd by Molmil](/molmil-images/mine/6pkd) | Myocilin OLF mutant N428D/D478H | 分子名称: | Myocilin, SODIUM ION | 著者 | Lieberman, R.L, Hill, S.E. | 登録日 | 2019-06-29 | 公開日 | 2019-09-11 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Calcium-ligand variants of the myocilin olfactomedin propeller selected from invertebrate phyla reveal cross-talk with N-terminal blade and surface helices. Acta Crystallogr D Struct Biol, 75, 2019
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5OA6
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![BU of 5oa6 by Molmil](/molmil-images/mine/5oa6) | Crystal structure of ScGas2 in complex with compound 12 | 分子名称: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-quinolin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2, ... | 著者 | Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R. | 登録日 | 2017-06-21 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Inhibitors against Fungal Cell Wall Remodeling Enzymes. ChemMedChem, 13, 2018
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3T8F
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![BU of 3t8f by Molmil](/molmil-images/mine/3t8f) | Thermolysin In Complex With UBTLN34 | 分子名称: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Biela, A, Heine, A, Klebe, G. | 登録日 | 2011-08-01 | 公開日 | 2012-08-01 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | Water makes the difference: rearrangement of water solvation layer triggers non-additivity of functional group contributions in protein-ligand binding. Chemmedchem, 7, 2012
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6Q9L
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6Q9U
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![BU of 6q9u by Molmil](/molmil-images/mine/6q9u) | HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 12 AT 2.4A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes | 分子名称: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 4-[(4~{S})-5-(5-chloranyl-2-oxidanylidene-1~{H}-pyridin-3-yl)-2-[2-(dimethylamino)-4-methoxy-pyrimidin-5-yl]-6-oxidanylidene-3-propan-2-yl-4~{H}-pyrrolo[3,4-c]pyrazol-4-yl]benzenecarbonitrile, CHLORIDE ION, ... | 著者 | Kallen, J. | 登録日 | 2018-12-18 | 公開日 | 2019-05-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes. Chemmedchem, 14, 2019
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6Q9O
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6Q9Q
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![BU of 6q9q by Molmil](/molmil-images/mine/6q9q) | HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 13 AT 2.1A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes | 分子名称: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 6-chloranyl-3-[3-[(1~{S})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{N}-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-1~{H}-indole-2-carboxamide, GLYCEROL, ... | 著者 | Kallen, J. | 登録日 | 2018-12-18 | 公開日 | 2019-05-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes. Chemmedchem, 14, 2019
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6Q9W
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![BU of 6q9w by Molmil](/molmil-images/mine/6q9w) | X-ray structure of compound 15 bound to HdmX: Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes | 分子名称: | (4~{S})-4-(4-chlorophenyl)-5-[(1~{S})-1-(3-chlorophenyl)ethyl]-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{H}-pyrrolo[3,4-d]imidazol-6-one, 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Protein Mdm4, ... | 著者 | Kallen, J. | 登録日 | 2018-12-18 | 公開日 | 2019-05-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes. Chemmedchem, 14, 2019
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5O9O
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![BU of 5o9o by Molmil](/molmil-images/mine/5o9o) | Crystal structure of ScGas2 in complex with compound 7. | 分子名称: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-(naphthalen-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]-3,5-bis(oxidanyl)oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2 | 著者 | Delso, I, Valero-Gonzalez, J, Fang, W, Gomollon-Bel, F, Castro-Lopez, J, Navratilova, I, van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R. | 登録日 | 2017-06-19 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Inhibitors against Fungal Cell Wall Remodeling Enzymes. ChemMedChem, 13, 2018
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5O9Y
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![BU of 5o9y by Molmil](/molmil-images/mine/5o9y) | Crystal structure of ScGas2 in complex with compound 11 | 分子名称: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-pyridin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2, ... | 著者 | Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R. | 登録日 | 2017-06-20 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Inhibitors against Fungal Cell Wall Remodeling Enzymes. ChemMedChem, 13, 2018
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6Q9H
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6Q9Y
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5NU1
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