5MOC
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![BU of 5moc by Molmil](/molmil-images/mine/5moc) | Crystal structure of 14-3-3sigma and a p53 C-terminal 12-mer synthetic phosphopeptide | 分子名称: | 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Andrei, S, Ottmann, C, Leysen, S. | 登録日 | 2016-12-14 | 公開日 | 2017-10-04 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Small-molecule stabilization of the p53 - 14-3-3 protein-protein interaction. FEBS Lett., 591, 2017
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1KGW
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![BU of 1kgw by Molmil](/molmil-images/mine/1kgw) | THREE DIMENSIONAL STRUCTURE ANALYSIS OF THE R337Q VARIANT OF HUMAN PANCREATIC ALPHA-MYLASE | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-AMYLASE, PANCREATIC, ... | 著者 | Numao, S, Maurus, R, Sidhu, G, Wang, Y, Overall, C.M, Brayer, G.D, Withers, S.G. | 登録日 | 2001-11-28 | 公開日 | 2002-01-16 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Probing the role of the chloride ion in the mechanism of human pancreatic alpha-amylase. Biochemistry, 41, 2002
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5LIU
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![BU of 5liu by Molmil](/molmil-images/mine/5liu) | Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor IDD388 | 分子名称: | (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, ... | 著者 | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Fanfrlik, J, Kamlar, M, Vesely, J, Hobza, P, Podjarny, A. | 登録日 | 2016-07-15 | 公開日 | 2016-07-27 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors. Acs Chem.Biol., 11, 2016
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6XB1
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8C87
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![BU of 8c87 by Molmil](/molmil-images/mine/8c87) | Double mutant A(L172)C/L(L246)C structure of Photosynthetic Reaction Center From Cereibacter sphaeroides strain RV | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, BACTERIOCHLOROPHYLL A, ... | 著者 | Gabdulkhakov, A, Selikhanov, G, Fufina, T, Vasilieva, L, Atamas, A, Yukhimchuk, D. | 登録日 | 2023-01-19 | 公開日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Stabilization of Cereibacter sphaeroides Photosynthetic Reaction Center by the Introduction of Disulfide Bonds. Membranes (Basel), 13, 2023
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6XD9
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![BU of 6xd9 by Molmil](/molmil-images/mine/6xd9) | Carbonmonoxy hemoglobin in complex with the antisickling agent 2-hydroxy-6-((6-(hydroxymethyl)pyridin-2-yl)methoxy)benzaldehyde (VZHE039) | 分子名称: | 3-{[6-(hydroxymethyl)pyridin-2-yl]methoxy}-2-methylphenol, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | 著者 | Pagare, P.P, Safo, M.K, Musayev, F.N. | 登録日 | 2020-06-10 | 公開日 | 2020-12-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | VZHE-039, a novel antisickling agent that prevents erythrocyte sickling under both hypoxic and anoxic conditions. Sci Rep, 10, 2020
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6XDT
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![BU of 6xdt by Molmil](/molmil-images/mine/6xdt) | Carbonmonoxy hemoglobin in complex with the antisickling agent methyl 5-((2-formyl-4-methoxyphenoxy)methyl)picolinate | 分子名称: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | 著者 | Pagare, P.P, Safo, M.K, Musayev, F.N. | 登録日 | 2020-06-11 | 公開日 | 2020-12-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Exploration of Structure-Activity Relationship of Aromatic Aldehydes Bearing Pyridinylmethoxy-Methyl Esters as Novel Antisickling Agents. J.Med.Chem., 63, 2020
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8BZB
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![BU of 8bzb by Molmil](/molmil-images/mine/8bzb) | co-soak stabilizers for ERa - 14-3-3 interaction (884_AZ275) | 分子名称: | 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, 4-ethoxy-1-benzothiophene-2-carboximidamide, ... | 著者 | Visser, E.J, Sijbesma, E, Ottmann, C. | 登録日 | 2022-12-14 | 公開日 | 2023-08-02 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
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8BYF
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5LR7
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![BU of 5lr7 by Molmil](/molmil-images/mine/5lr7) | CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR567530 | 分子名称: | Heat shock protein HSP 90-alpha, ~{N}-[(9~{R})-4-(5-fluoranyl-1~{H}-benzimidazol-2-yl)-9~{H}-fluoren-9-yl]-1~{H}-pyrrolo[2,3-b]pyridine-4-carboxamide | 著者 | Vallee, F, Dupuy, A. | 登録日 | 2016-08-18 | 公開日 | 2017-08-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR567530 To Be Published
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5LMD
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![BU of 5lmd by Molmil](/molmil-images/mine/5lmd) | The crystal structure of hCA II in complex with a benzoxaborole inhibitor | 分子名称: | 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(2-methoxy-5-methyl-phenyl)urea, Carbonic anhydrase 2, ZINC ION | 著者 | De Simone, G, Alterio, V, Esposito, D, Di Fiore, A. | 登録日 | 2016-07-29 | 公開日 | 2016-10-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Benzoxaborole as a new chemotype for carbonic anhydrase inhibition. Chem.Commun.(Camb.), 52, 2016
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6JLR
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6JFP
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![BU of 6jfp by Molmil](/molmil-images/mine/6jfp) | Crystal structure of the beta-glucosidase Bgl15 | 分子名称: | beta-D-glucopyranose, beta-glucosidase 15 | 著者 | Xie, W, Chen, R. | 登録日 | 2019-02-11 | 公開日 | 2020-02-12 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Engineering of beta-Glucosidase Bgl15 with Simultaneously Enhanced Glucose Tolerance and Thermostability To Improve Its Performance in High-Solid Cellulose Hydrolysis. J.Agric.Food Chem., 68, 2020
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1PS6
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![BU of 1ps6 by Molmil](/molmil-images/mine/1ps6) | Crystal structure of E.coli PdxA | 分子名称: | 4-HYDROXY-L-THREONINE-5-MONOPHOSPHATE, 4-hydroxythreonine-4-phosphate dehydrogenase, ZINC ION | 著者 | Sivaraman, J, Li, Y, Banks, J, Cane, D.E, Matte, A, Cygler, M. | 登録日 | 2003-06-20 | 公開日 | 2003-11-04 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Crystal Structure of Escherichia coli PdxA, an Enzyme Involved in the Pyridoxal Phosphate Biosynthesis Pathway J.Biol.Chem., 278, 2003
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4GXI
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![BU of 4gxi by Molmil](/molmil-images/mine/4gxi) | R283K DNA polymerase beta binary complex with a templating 8OG | 分子名称: | DNA (5'-D(*CP*CP*GP*AP*CP*(8OG)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... | 著者 | Freudenthal, B.D, Beard, W.A, Wilson, S.H. | 登録日 | 2012-09-04 | 公開日 | 2013-01-16 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.949 Å) | 主引用文献 | DNA polymerase minor groove interactions modulate mutagenic bypass of a templating 8-oxoguanine lesion. Nucleic Acids Res., 41, 2013
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8BYG
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![BU of 8byg by Molmil](/molmil-images/mine/8byg) | fragment-linked stabilizer for ERa - 14-3-3 interaction (1047648) | 分子名称: | 14-3-3 protein sigma, ERalpha peptide, ~{N}-[2-[(2-carbamimidoyl-1-benzothiophen-4-yl)-methyl-amino]ethyl]-2-(4-chloranylphenoxy)-~{N},2-dimethyl-propanamide | 著者 | Visser, E.J, Sijbesma, E, Ottmann, C. | 登録日 | 2022-12-12 | 公開日 | 2023-08-30 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
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1KB3
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![BU of 1kb3 by Molmil](/molmil-images/mine/1kb3) | Three Dimensional Structure Analysis of the R195A Variant of Human Pancreatic Alpha Amylase | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-AMYLASE, PANCREATIC, ... | 著者 | Numao, S, Maurus, R, Sidhu, G, Wang, Y, Overall, C.M, Brayer, G.D, Withers, S.G. | 登録日 | 2001-11-05 | 公開日 | 2002-05-01 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Probing the role of the chloride ion in the mechanism of human pancreatic alpha-amylase. Biochemistry, 41, 2002
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6HCV
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![BU of 6hcv by Molmil](/molmil-images/mine/6hcv) | Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with a chromone ligand | 分子名称: | 6-fluoranyl-~{N}-[(1-oxidanylcyclohexyl)methyl]-4-oxidanylidene-chromene-2-carboxamide, Lysine--tRNA ligase | 著者 | Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H. | 登録日 | 2018-08-16 | 公開日 | 2019-04-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis. Proc.Natl.Acad.Sci.USA, 116, 2019
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5LLE
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![BU of 5lle by Molmil](/molmil-images/mine/5lle) | Crystal structure of human carbonic anhydrase isozyme II with 4-(1-Adamantylamino)-2,3,5,6-tetrafluorobenzenesulfonamide | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(1-adamantylamino)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide, BICINE, ... | 著者 | Manakova, E, Smirnov, A, Grazulis, S. | 登録日 | 2016-07-27 | 公開日 | 2017-08-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding. PeerJ, 6, 2018
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6YZE
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![BU of 6yze by Molmil](/molmil-images/mine/6yze) | Zinc metalloprotease ProA from native source | 分子名称: | ZINC ION, Zinc metalloproteinase | 著者 | Schmelz, S, Blankenfeldt, W. | 登録日 | 2020-05-06 | 公開日 | 2021-02-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Zinc metalloprotease ProA of Legionella pneumophila increases alveolar septal thickness in human lung tissue explants by collagen IV degradation. Cell.Microbiol., 23, 2021
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6ZL5
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![BU of 6zl5 by Molmil](/molmil-images/mine/6zl5) | CRYSTAL STRUCTURE OF KRAS-G12D(C118S) IN COMPLEX WITH BI-2852 AND GDP | 分子名称: | (3~{S})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Kessler, D, Fischer, G, Boettcher, J. | 登録日 | 2020-06-30 | 公開日 | 2020-08-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.645 Å) | 主引用文献 | Drugging all RAS isoforms with one pocket. Future Med Chem, 12, 2020
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1PRZ
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![BU of 1prz by Molmil](/molmil-images/mine/1prz) | Crystal structure of pseudouridine synthase RluD catalytic module | 分子名称: | Ribosomal large subunit pseudouridine synthase D | 著者 | Sivaraman, J, Iannuzzi, P, Cygler, M, Matte, A, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | 登録日 | 2003-06-20 | 公開日 | 2003-11-04 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of the RluD pseudouridine Synthase catalytic module, an
enzyme that modifies 23S rRNA and is essential for normal cell growth of Escherichia coli J.Mol.Biol., 335, 2003
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6HHP
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![BU of 6hhp by Molmil](/molmil-images/mine/6hhp) | Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 1 | 分子名称: | (1~{R})-2-(4-chloranylphenoxy)-2-methyl-1-[methyl(2-sulfanylethyl)amino]propan-1-ol, 14-3-3 protein sigma, Estrogen receptor, ... | 著者 | Sijbesma, E, Hallenbeck, K.K, Leysen, S, Arkin, M.R, Ottmann, C. | 登録日 | 2018-08-28 | 公開日 | 2019-02-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.802 Å) | 主引用文献 | Site-Directed Fragment-Based Screening for the Discovery of Protein-Protein Interaction Stabilizers. J. Am. Chem. Soc., 141, 2019
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6HKF
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![BU of 6hkf by Molmil](/molmil-images/mine/6hkf) | Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 4 | 分子名称: | (1~{S})-2,2-diphenyl-1-(2-sulfanylethylamino)propan-1-ol, 14-3-3 protein sigma, Estrogen receptor, ... | 著者 | Sijbesma, E, Hallenbeck, K.K, Leysen, S, Arkin, M.R, Ottmann, C. | 登録日 | 2018-09-06 | 公開日 | 2019-02-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | 主引用文献 | Site-Directed Fragment-Based Screening for the Discovery of Protein-Protein Interaction Stabilizers. J. Am. Chem. Soc., 141, 2019
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6ZIR
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![BU of 6zir by Molmil](/molmil-images/mine/6zir) | CRYSTAL STRUCTURE OF NRAS (C118S) IN COMPLEX WITH GDP AND COMPOUND 18 | 分子名称: | (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase NRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Kessler, D, Fischer, G, Boettcher, J. | 登録日 | 2020-06-26 | 公開日 | 2020-08-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Drugging all RAS isoforms with one pocket. Future Med Chem, 12, 2020
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