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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5KBI
 | | CRYSTAL STRUCTURE OF THE AROMATIC SENSOR DOMAIN OF MOPR IN COMPLEX WITH CATACHOL | | 分子名称: | CATECHOL, MopR, ZINC ION | | 著者 | Ray, S, Anand, R, Panjikar, S. | | 登録日 | 2016-06-03 | | 公開日 | 2016-07-13 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structural Basis of Selective Aromatic Pollutant Sensing by the Effector Binding Domain of MopR, an NtrC Family Transcriptional Regulator.
Acs Chem.Biol., 11, 2016
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5KBG
 | | CRYSTAL STRUCTURE OF THE AROMATIC SENSOR DOMAIN OF MOPR IN COMPLEX WITH OCRESOL | | 分子名称: | MopR, ZINC ION, o-cresol | | 著者 | Ray, S, Anand, R, Panjikar, S. | | 登録日 | 2016-06-03 | | 公開日 | 2016-07-13 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural Basis of Selective Aromatic Pollutant Sensing by the Effector Binding Domain of MopR, an NtrC Family Transcriptional Regulator.
Acs Chem.Biol., 11, 2016
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5KBE
 | | CRYSTAL STRUCTURE OF THE AROMATIC SENSOR DOMAIN OF MOPR IN COMPLEX WITH PHENOL | | 分子名称: | MopR, PHENOL, ZINC ION | | 著者 | Ray, S, Anand, R, Panjikar, S. | | 登録日 | 2016-06-03 | | 公開日 | 2016-07-13 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural Basis of Selective Aromatic Pollutant Sensing by the Effector Binding Domain of MopR, an NtrC Family Transcriptional Regulator.
Acs Chem.Biol., 11, 2016
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5KBH
 | | CRYSTAL STRUCTURE OF THE AROMATIC SENSOR DOMAIN OF MOPR IN COMPLEX WITH 3-CHLORO-PHENOL | | 分子名称: | 3-CHLOROPHENOL, MopR, ZINC ION | | 著者 | Ray, S, Anand, R, Panjikar, S. | | 登録日 | 2016-06-03 | | 公開日 | 2016-07-13 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Structural Basis of Selective Aromatic Pollutant Sensing by the Effector Binding Domain of MopR, an NtrC Family Transcriptional Regulator.
Acs Chem.Biol., 11, 2016
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5L77
 | | A glycoside hydrolase mutant with an unreacted activity based probe bound | | 分子名称: | (1~{R},2~{S},3~{R},4~{S},5~{S},6~{R})-7-[8-[(azanylidene-{4}-azanylidene)amino]octyl]-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | | 著者 | Jin, Y, Wu, L, Jiang, J.B, Overkleeft, H.S, Davies, G.J. | | 登録日 | 2016-06-02 | | 公開日 | 2017-05-31 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | Activity-based probes for functional interrogation of retaining beta-glucuronidases.
Nat. Chem. Biol., 13, 2017
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1F8F
 | | CRYSTAL STRUCTURE OF BENZYL ALCOHOL DEHYDROGENASE FROM ACINETOBACTER CALCOACETICUS | | 分子名称: | BENZYL ALCOHOL DEHYDROGENASE, ETHANOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Beauchamp, J.C, Gillooly, D, Warwicker, J, Fewson, C.A, Lapthorn, A.J. | | 登録日 | 2000-06-30 | | 公開日 | 2003-07-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal Structure of Benzyl Alcohol Dehydrogenase from Acinetobacter calcoaceticus
To be Published
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3VO0
 | | Crystal structure of beta-glucuronidase from Acidobacterium capsulatum covalent-bonded with 2-deoxy-2-fluoro-D-glucuronic acid | | 分子名称: | 2,4-DINITROPHENOL, 2-deoxy-2-fluoro-alpha-D-glucopyranuronic acid, 2-deoxy-2-fluoro-beta-D-glucopyranuronic acid, ... | | 著者 | Momma, M, Fujimoto, Z, Michikawa, M, Ichinose, H, Jongkees, S, Yoshida, M, Kotake, Y, Biely, P, Tsumuraya, Y, Withers, S, Kaneko, S. | | 登録日 | 2012-01-18 | | 公開日 | 2012-02-22 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural and biochemical characterization of glycoside hydrolase family 79 beta-glucuronidase from Acidobacterium capsulatum
J.Biol.Chem., 287, 2012
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4H4F
 | | Crystal structure of human chymotrypsin C (CTRC) bound to inhibitor eglin c from Hirudo medicinalis | | 分子名称: | Chymotrypsin-C, Eglin C, PHOSPHATE ION | | 著者 | Batra, J, Soares, A.S, Radisky, E.S. | | 登録日 | 2012-09-17 | | 公開日 | 2013-02-27 | | 最終更新日 | 2013-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Long-range Electrostatic Complementarity Governs Substrate Recognition by Human Chymotrypsin C, a Key Regulator of Digestive Enzyme Activation.
J.Biol.Chem., 288, 2013
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6A37
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8JVB
 | | Cryo-EM structure of the Type II secretion system protein from Acidithiobacillus caldus | | 分子名称: | Type II and III secretion system protein | | 著者 | Liu, R.H, Zhang, K, Feng, Q.S, Dai, X, Fu, Y, Li, Y. | | 登録日 | 2023-06-28 | | 公開日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (2.39 Å) | | 主引用文献 | Cryo-EM structure of the Type II secretion system protein from Acidithiobacillus caldus
To Be Published
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5LRT
 | | Structure of the Deamidase-Depupylase Dop of the Prokaryotic Ubiquitin-like Modification Pathway in Complex with ADP and Phosphate | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, Depupylase, ... | | 著者 | Bolten, M, Vahlensieck, C, Lipp, C, Leibundgut, M, Ban, N, Weber-Ban, E. | | 登録日 | 2016-08-19 | | 公開日 | 2017-02-01 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Depupylase Dop Requires Inorganic Phosphate in the Active Site for Catalysis.
J. Biol. Chem., 292, 2017
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4B0S
 | | Structure of the Deamidase-Depupylase Dop of the Prokaryotic Ubiquitin-like Modification Pathway in Complex with ATP | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, DEAMIDASE-DEPUPYLASE DOP, MAGNESIUM ION | | 著者 | Ozcelik, D, Barandun, J, Schmitz, N, Sutter, M, Guth, E, Damberger, F.F, Allain, F.H.-T, Ban, N, Weber-Ban, E. | | 登録日 | 2012-07-04 | | 公開日 | 2012-09-12 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Structures of Pup Ligase Pafa and Depupylase Dop from the Prokaryotic Ubiquitin-Like Modification Pathway.
Nat.Commun., 3, 2012
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8OHV
 | | Crystal structure of Beta-glucuronidase from Acidobacterium capsulatum in complex with glucuronic acid configured 3-geminal diol iminosugar inhibitor | | 分子名称: | (3~{S},4~{R})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, SULFATE ION, beta-glucuronidase from Acidobacterium capsulatum | | 著者 | Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J. | | 登録日 | 2023-03-21 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
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8OGX
 | | Beta-glucuronidase from Acidobacterium capsulatum in complex with inhibitor R3794 | | 分子名称: | (3~{S},4~{S})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, PHOSPHATE ION, beta-glucuronidase from Acidobacterium capsulatum | | 著者 | Moran, E.M, Davies, G.J, Chen, C, Nieuwendijk, E.V, Wu, L, Skoulikopoulou, F, Riet, V.V, Overkleeft, H.S, Armstrong, Z. | | 登録日 | 2023-03-20 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
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8OHT
 | | Crystal structure of Beta-glucuronidase from Acidobacterium capsulatum in complex with competitive inhibitor derrived from siastatin B | | 分子名称: | (3~{S},4~{S},5~{S},6~{R})-4,5,6-tris(oxidanyl)piperidine-3-carboxylic acid, SULFATE ION, beta-glucuronidase from Acidobacterium capsulatum | | 著者 | Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J. | | 登録日 | 2023-03-21 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
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8OHU
 | | Crystal structure of Beta-glucuronidase from Acidobacterium capsulatum in complex with glucuronic acid configured isofagamine | | 分子名称: | (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid, beta-glucuronidase from Acidobacterium capsulatum | | 著者 | Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J. | | 登録日 | 2023-03-21 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
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4B0R
 | | Structure of the Deamidase-Depupylase Dop of the Prokaryotic Ubiquitin-like Modification Pathway | | 分子名称: | DEAMIDASE-DEPUPYLASE DOP | | 著者 | Ozcelik, D, Barandun, J, Schmitz, N, Sutter, M, Guth, E, Damberger, F.F, Allain, F.H.-T, Ban, N, Weber-Ban, E. | | 登録日 | 2012-07-04 | | 公開日 | 2012-09-12 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structures of Pup ligase PafA and depupylase Dop from the prokaryotic ubiquitin-like modification pathway.
Nat Commun, 3, 2012
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3GTA
 | | Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic | | 分子名称: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Baculoviral IAP repeat-containing 7, ... | | 著者 | Franklin, M.C, Fairbrother, W.J, Cohen, F. | | 登録日 | 2009-03-27 | | 公開日 | 2010-03-09 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Antagonists of inhibitor of apoptosis proteins based on thiazole amide isosteres.
Bioorg.Med.Chem.Lett., 20, 2010
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3GT9
 | | Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic | | 分子名称: | Baculoviral IAP repeat-containing 7, N-{(1S)-1-cyclohexyl-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl}-N~2~-methyl-L-alaninamide, ZINC ION | | 著者 | Franklin, M.C, Fairbrother, W.J, Cohen, F. | | 登録日 | 2009-03-27 | | 公開日 | 2010-03-09 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Antagonists of inhibitor of apoptosis proteins based on thiazole amide isosteres.
Bioorg.Med.Chem.Lett., 20, 2010
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6X3Y
 | | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors | | 分子名称: | Peptidyl-prolyl cis-trans isomerase A, tert-butyl [(2S)-1-{[(3S,17S)-2,16-dioxo-10,15-dioxa-1,21-diazatricyclo[15.3.1.1~5,9~]docosa-5(22),6,8-trien-3-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate | | 著者 | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | | 登録日 | 2020-05-21 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
J.Chem.Inf.Model., 60, 2020
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6X4N
 | | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-3-oxa-9,12,15,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (compound 24) | | 分子名称: | (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-3-oxa-9,12,15,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | | 著者 | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | | 登録日 | 2020-05-22 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
J.Chem.Inf.Model., 60, 2020
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4PGL
 | | Crystal structure of engineered D-tagatose 3-epimerase PcDTE-ILS6 | | 分子名称: | D-tagatose 3-epimerase, L-sorbose, L-tagatose, ... | | 著者 | Hee, C.S, Bosshart, A, Schirmer, T. | | 登録日 | 2014-05-02 | | 公開日 | 2014-10-22 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Directed Divergent Evolution of a Thermostable D-Tagatose Epimerase towards Improved Activity for Two Hexose Substrates.
Chembiochem, 16, 2015
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6X3R
 | | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors | | 分子名称: | Peptidyl-prolyl cis-trans isomerase A, methyl (3~{S})-1-[(2~{S})-2-[[(2~{S})-2-acetamido-3-methyl-butanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-1,2-diazinane-3-carboxylate | | 著者 | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | | 登録日 | 2020-05-21 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
J.Chem.Inf.Model., 60, 2020
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6X4P
 | | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (compound 28) | | 分子名称: | (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | | 著者 | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | | 登録日 | 2020-05-22 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
J.Chem.Inf.Model., 60, 2020
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