1GNX
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![BU of 1gnx by Molmil](/molmil-images/mine/1gnx) | b-glucosidase from Streptomyces sp | 分子名称: | BETA-GLUCOSIDASE, SULFATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | 著者 | Guasch, A, Perez-Pons, J.A, Vallmitjana, M, Querol, E, Coll, M. | 登録日 | 2001-10-10 | 公開日 | 2002-10-17 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Beta-Glucosidase from Streptomyces To be Published
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7T6C
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![BU of 7t6c by Molmil](/molmil-images/mine/7t6c) | E. coli dihydroorotate dehydrogenase bound to the ubiquinone surrogate DCIP | 分子名称: | 2,6-bis(chloranyl)-4-[(4-hydroxyphenyl)amino]phenol, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Dihydroorotate dehydrogenase (quinone), ... | 著者 | Horwitz, S.M, Ambarian, J.A, Davis, K.M. | 登録日 | 2021-12-13 | 公開日 | 2022-03-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Structural insights into inhibition of the drug target dihydroorotate dehydrogenase by bacterial hydroxyalkylquinolines. Rsc Chem Biol, 3, 2022
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7T5K
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![BU of 7t5k by Molmil](/molmil-images/mine/7t5k) | E. coli dihydroorotate dehydrogenase bound to the inhibitor HQNO | 分子名称: | 2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE, Dihydroorotate dehydrogenase (quinone), FLAVIN MONONUCLEOTIDE, ... | 著者 | Horwitz, S.M, Ambarian, J.A, Davis, K.M. | 登録日 | 2021-12-12 | 公開日 | 2022-03-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structural insights into inhibition of the drug target dihydroorotate dehydrogenase by bacterial hydroxyalkylquinolines. Rsc Chem Biol, 3, 2022
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7T6H
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![BU of 7t6h by Molmil](/molmil-images/mine/7t6h) | E. coli dihydroorotate dehydrogenase | 分子名称: | Dihydroorotate dehydrogenase (quinone), FLAVIN MONONUCLEOTIDE, OROTIC ACID | 著者 | Horwitz, S.M, Ambarian, J.A, Davis, K.M. | 登録日 | 2021-12-13 | 公開日 | 2022-03-02 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | 主引用文献 | Structural insights into inhibition of the drug target dihydroorotate dehydrogenase by bacterial hydroxyalkylquinolines. Rsc Chem Biol, 3, 2022
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7T5Y
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![BU of 7t5y by Molmil](/molmil-images/mine/7t5y) | E. coli dihydroorotate dehydrogenase bound to the inhibitor HMNQ | 分子名称: | 3-methyl-2-[(2E)-non-2-en-1-yl]quinolin-4(1H)-one, Dihydroorotate dehydrogenase (quinone), FLAVIN MONONUCLEOTIDE, ... | 著者 | Horwitz, S.M, Ambarian, J.A, Davis, K.M. | 登録日 | 2021-12-13 | 公開日 | 2022-03-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Structural insights into inhibition of the drug target dihydroorotate dehydrogenase by bacterial hydroxyalkylquinolines. Rsc Chem Biol, 3, 2022
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7ULW
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![BU of 7ulw by Molmil](/molmil-images/mine/7ulw) | |
1GUT
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![BU of 1gut by Molmil](/molmil-images/mine/1gut) | |
1H2G
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![BU of 1h2g by Molmil](/molmil-images/mine/1h2g) | Altered substrate specificity mutant of penicillin acylase | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, PENICILLIN G ACYLASE ALPHA SUBUNIT, ... | 著者 | McVey, C.E, Morillas, M, Brannigan, J.A, Ladurner, A.G, Forney, L.J, Virden, R. | 登録日 | 2002-08-08 | 公開日 | 2003-07-17 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Mutations of Penicillin Acylase Residue B71 Extend Substrate Specificity by Decreasing Steric Constraints for Substrate Binding Biochem.J., 371, 2003
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7U2U
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![BU of 7u2u by Molmil](/molmil-images/mine/7u2u) | CRYSTAL STRUCTURE OF HIV-1 INTEGRASE COMPLEXED WITH Compound-2a AKA (2S)-2-(TERT-BUTOXY)-2-[7-(4,4-DIMETHYLPIPE RIDIN-1-YL)-8-{4-[2-(4-FLUOROPHENYL)ETHOXY]PHENYL}-2,5-DIM ETHYLIMIDAZO[1,2-A]PYRIDIN-6-YL]ACETIC ACID | 分子名称: | (2S)-tert-butoxy[(4S)-7-(4,4-dimethylpiperidin-1-yl)-8-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,5-dimethylimidazo[1,2-a]pyridin-6-yl]acetic acid, Integrase, SULFATE ION | 著者 | Khan, J.A, lewis, H, Kish, K. | 登録日 | 2022-02-24 | 公開日 | 2022-06-08 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.839 Å) | 主引用文献 | Scaffold modifications to the 4-(4,4-dimethylpiperidinyl) 2,6-dimethylpyridinyl class of HIV-1 allosteric integrase inhibitors. Bioorg.Med.Chem., 67, 2022
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7TRB
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![BU of 7trb by Molmil](/molmil-images/mine/7trb) | CRYSTAL STRUCTURE OF FARNESOID X-ACTIVATED RECEPTOR COMPLEXED WITH COMPOUND-32 AKA (1S,3S)-N-({4-[5-(2-FLUOROPR OPAN-2-YL)-1,2,4-OXADIAZOL-3-YL]BICYCLO[2.2.2]OCTAN-1-YL}M ETHYL)-3-HYDROXY-N-[4'-(2-HYDROXYPROPAN-2-YL)-[1,1'-BIPHEN YL]-3-YL]-3-(TRIFLUOROMETHYL)CYCLOBUTANE-1-CARBOXAMIDE | 分子名称: | (1s,3s)-N-({4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]bicyclo[2.2.2]octan-1-yl}methyl)-3-hydroxy-N-[4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide, Bile acid receptor, co-activator | 著者 | Khan, J.A, Ruzanov, M. | 登録日 | 2022-01-28 | 公開日 | 2022-06-29 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Discovery of BMS-986339, a Pharmacologically Differentiated Farnesoid X Receptor Agonist for the Treatment of Nonalcoholic Steatohepatitis. J.Med.Chem., 65, 2022
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1GUO
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![BU of 1guo by Molmil](/molmil-images/mine/1guo) | |
1GUS
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![BU of 1gus by Molmil](/molmil-images/mine/1gus) | |
7UC6
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![BU of 7uc6 by Molmil](/molmil-images/mine/7uc6) | Stat5a Core in complex with Compound 12 | 分子名称: | N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(4-bromophenyl)-N,N-dimethyl-beta-alaninamide, Signal transducer and activator of transcription 5A | 著者 | Meagher, J.L, Stuckey, J.A. | 登録日 | 2022-03-16 | 公開日 | 2023-02-15 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (3.101 Å) | 主引用文献 | Discovery of a Potent and Selective STAT5 PROTAC Degrader with Strong Antitumor Activity In Vivo in Acute Myeloid Leukemia. J.Med.Chem., 66, 2023
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7UBT
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![BU of 7ubt by Molmil](/molmil-images/mine/7ubt) | Stat5a Core in complex with Compound 18 | 分子名称: | GLYCEROL, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(1,3-benzothiazol-5-yl)-N,N-dimethyl-beta-alaninamide, Signal transducer and activator of transcription 5A | 著者 | Meagher, J.L, Stuckey, J.A. | 登録日 | 2022-03-15 | 公開日 | 2023-02-15 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.352 Å) | 主引用文献 | Discovery of a Potent and Selective STAT5 PROTAC Degrader with Strong Antitumor Activity In Vivo in Acute Myeloid Leukemia. J.Med.Chem., 66, 2023
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7UC7
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![BU of 7uc7 by Molmil](/molmil-images/mine/7uc7) | Stat5a Core in complex with Compound 17 | 分子名称: | GLYCEROL, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(1-benzofuran-5-yl)-N,N-dimethyl-beta-alaninamide, Signal transducer and activator of transcription 5A | 著者 | Meagher, J.L, Stuckey, J.A. | 登録日 | 2022-03-16 | 公開日 | 2023-02-15 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (3.102 Å) | 主引用文献 | Discovery of a Potent and Selective STAT5 PROTAC Degrader with Strong Antitumor Activity In Vivo in Acute Myeloid Leukemia. J.Med.Chem., 66, 2023
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1GUN
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![BU of 1gun by Molmil](/molmil-images/mine/1gun) | |
7U0Y
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![BU of 7u0y by Molmil](/molmil-images/mine/7u0y) | |
7U4O
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![BU of 7u4o by Molmil](/molmil-images/mine/7u4o) | Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor | 分子名称: | 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one, Dual specificity protein phosphatase 10 | 著者 | Gannam, Z.T.K, Jamali, H, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M. | 登録日 | 2022-02-28 | 公開日 | 2022-10-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors. Eur.J.Med.Chem., 243, 2022
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1GUG
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![BU of 1gug by Molmil](/molmil-images/mine/1gug) | MopII from Clostridium pasteurianum complexed with tungstate | 分子名称: | CHLORIDE ION, MOLYBDATE BINDING PROTEIN II, SODIUM ION, ... | 著者 | Schuettelkopf, A.W, Harrison, J.A, Hunter, W.N. | 登録日 | 2002-01-25 | 公開日 | 2002-02-08 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Passive Acquisition of Ligand by the Mopii Molbindin from Clostridium Pasteurianum: Structures of Apo and Oxyanion-Bound Forms J.Biol.Chem., 277, 2002
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7UJA
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![BU of 7uja by Molmil](/molmil-images/mine/7uja) | Cryo-EM structure of Human respiratory syncytial virus F variant (construct pXCS847A) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AM14 Fab heavy chain, AM14 Fab light chain, ... | 著者 | Lees, J.A, Ammirati, M, Han, S. | 登録日 | 2022-03-30 | 公開日 | 2023-04-19 | 最終更新日 | 2023-05-10 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Rational design of a highly immunogenic prefusion-stabilized F glycoprotein antigen for a respiratory syncytial virus vaccine. Sci Transl Med, 15, 2023
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1H2B
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![BU of 1h2b by Molmil](/molmil-images/mine/1h2b) | Crystal Structure of the Alcohol Dehydrogenase from the Hyperthermophilic Archaeon Aeropyrum pernix at 1.65A Resolution | 分子名称: | ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), OCTANOIC ACID (CAPRYLIC ACID), ... | 著者 | Guy, J.E, Isupov, M.N, Littlechild, J.A. | 登録日 | 2002-08-02 | 公開日 | 2003-08-28 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | The structure of an alcohol dehydrogenase from the hyperthermophilic archaeon Aeropyrum pernix. J.Mol.Biol., 331, 2003
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1YTS
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![BU of 1yts by Molmil](/molmil-images/mine/1yts) | A LIGAND-INDUCED CONFORMATIONAL CHANGE IN THE YERSINIA PROTEIN TYROSINE PHOSPHATASE | 分子名称: | SULFATE ION, YERSINIA PROTEIN TYROSINE PHOSPHATASE | 著者 | Schubert, H.L, Stuckey, J.A, Fauman, E.B, Dixon, J.E, Saper, M.A. | 登録日 | 1995-04-07 | 公開日 | 1995-07-10 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | A ligand-induced conformational change in the Yersinia protein tyrosine phosphatase. Protein Sci., 4, 1995
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1ZA7
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![BU of 1za7 by Molmil](/molmil-images/mine/1za7) | The crystal structure of salt stable cowpea cholorotic mottle virus at 2.7 angstroms resolution. | 分子名称: | Coat protein | 著者 | Bothner, B, Speir, J.A, Qu, C, Willits, D.A, Young, M.J, Johnson, J.E. | 登録日 | 2005-04-05 | 公開日 | 2006-03-21 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Enhanced local symmetry interactions globally stabilize a mutant virus capsid that maintains infectivity and capsid dynamics. J.Virol., 80, 2006
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3QJV
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![BU of 3qjv by Molmil](/molmil-images/mine/3qjv) | The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus | 分子名称: | CARBON MONOXIDE, COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, ... | 著者 | Liu, B, Zhang, Y, Sage, J.T, Doukov, T, Chen, Y, Stout, C.D, Fee, J.A. | 登録日 | 2011-01-30 | 公開日 | 2012-01-25 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural changes that occur upon photolysis of the Fe(II)(a3)-CO complex in the cytochrome ba(3)-oxidase of Thermus thermophilus: A combined X-ray crystallographic and infrared spectral study demonstrates CO binding to Cu(B). Biochim.Biophys.Acta, 1817, 2012
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3QJR
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![BU of 3qjr by Molmil](/molmil-images/mine/3qjr) | The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus | 分子名称: | CARBON MONOXIDE, COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, ... | 著者 | Liu, B, Zhang, Y, Sage, J.T, Doukov, T, Chen, Y, Stout, C.D, Fee, J.A. | 登録日 | 2011-01-30 | 公開日 | 2012-01-25 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Structural changes that occur upon photolysis of the Fe(II)(a3)-CO complex in the cytochrome ba(3)-oxidase of Thermus thermophilus: A combined X-ray crystallographic and infrared spectral study demonstrates CO binding to Cu(B). Biochim.Biophys.Acta, 1817, 2012
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