6BFS
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![BU of 6bfs by Molmil](/molmil-images/mine/6bfs) | The mechanism of GM-CSF inhibition by human GM-CSF auto-antibodies | 分子名称: | Fab Heavy Chain, Fab light Chain, Granulocyte-macrophage colony-stimulating factor | 著者 | Dhagat, U, Hercus, T.R, Broughton, S.E, Nero, T.L, Lopez, A.F, Parker, M.W. | 登録日 | 2017-10-26 | 公開日 | 2018-09-12 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The mechanism of GM-CSF inhibition by human GM-CSF auto-antibodies suggests novel therapeutic opportunities. MAbs, 10, 2018
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7Q1L
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![BU of 7q1l by Molmil](/molmil-images/mine/7q1l) | Glycosilated Human Serum Apo-tranferrin | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | 著者 | Gavira, J.A, Moreno, A, Campos-Escamilla, C, Gonzalez-Ramirez, L.A, Siliqi, D. | 登録日 | 2021-10-20 | 公開日 | 2022-03-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | X-ray Characterization of Conformational Changes of Human Apo- and Holo-Transferrin. Int J Mol Sci, 22, 2021
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6PDA
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![BU of 6pda by Molmil](/molmil-images/mine/6pda) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 74 | 分子名称: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyridin-2-yl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | 著者 | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | 登録日 | 2019-06-18 | 公開日 | 2020-04-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.448 Å) | 主引用文献 | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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7ZYK
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![BU of 7zyk by Molmil](/molmil-images/mine/7zyk) | Compound 9 Bound to CK2alpha | 分子名称: | 2-(5-bromanyl-6-chloranyl-1~{H}-indol-3-yl)ethanenitrile, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Brear, P, Hyvonen, M. | 登録日 | 2022-05-25 | 公開日 | 2022-12-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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6EUT
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![BU of 6eut by Molmil](/molmil-images/mine/6eut) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (KSK67) | 分子名称: | (3~{R})-8-cyclopropyl-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, GLYCEROL, ISOPROPYL ALCOHOL, ... | 著者 | Begum, A, Hall, M, Grundstrom, C, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | 登録日 | 2017-10-31 | 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 | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes. J. Med. Chem., 61, 2018
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6X6R
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![BU of 6x6r by Molmil](/molmil-images/mine/6x6r) | Crystal structure of C.difficile ribosyltransferase CDTa in complex with pCl-phenylthioDADMeImmA | 分子名称: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol, ADP-ribosyltransferase, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | 著者 | Pozharski, E. | 登録日 | 2020-05-29 | 公開日 | 2021-10-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Crystal structure of C.difficile ribosyltransferase CDTa in complex with pCl-phenylthioDADMeImmA To Be Published
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6EXM
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![BU of 6exm by Molmil](/molmil-images/mine/6exm) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK202) | 分子名称: | ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION, ... | 著者 | Grundstrom, C, Begum, A, Hall, M, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | 登録日 | 2017-11-08 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes. J. Med. Chem., 61, 2018
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8QTH
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![BU of 8qth by Molmil](/molmil-images/mine/8qth) | Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 8) | 分子名称: | 1-methyl-5-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-(trifluoromethyl)-7H-pyrrolo[2,3-b]pyridin-6-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | 著者 | Schimpl, M. | 登録日 | 2023-10-12 | 公開日 | 2024-01-10 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.198 Å) | 主引用文献 | Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors. J.Med.Chem., 67, 2024
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6PDE
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![BU of 6pde by Molmil](/molmil-images/mine/6pde) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 40 | 分子名称: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-propoxybenzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | 著者 | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | 登録日 | 2019-06-18 | 公開日 | 2020-04-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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6EUZ
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![BU of 6euz by Molmil](/molmil-images/mine/6euz) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK37) | 分子名称: | (3~{R})-8-methoxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, ... | 著者 | Begum, A, Hall, M, Grundstrom, C, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | 登録日 | 2017-10-31 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes. J. Med. Chem., 61, 2018
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6PCC
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6EXX
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6AX8
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![BU of 6ax8 by Molmil](/molmil-images/mine/6ax8) | Mycobacterium tuberculosis methionyl-tRNA synthetase in complex with methionyl-adenylate | 分子名称: | Methionine-tRNA ligase, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] (2S)-2-azanyl-4-methylsulfanyl-butanoate | 著者 | Barros-Alvarez, X, Hol, W.G.J. | 登録日 | 2017-09-06 | 公開日 | 2018-04-11 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The crystal structure of the drug target Mycobacterium tuberculosis methionyl-tRNA synthetase in complex with a catalytic intermediate. Acta Crystallogr F Struct Biol Commun, 74, 2018
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5U0I
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![BU of 5u0i by Molmil](/molmil-images/mine/5u0i) | C-terminal ankyrin repeats from human kidney-type glutaminase (KGA) - tetragonal crystal form | 分子名称: | CHLORIDE ION, Glutaminase kidney isoform, mitochondrial, ... | 著者 | Pasquali, C.C, Gonzalez, A, Dias, S.M.G, Ambrosio, A.L.B. | 登録日 | 2016-11-24 | 公開日 | 2017-05-24 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.423 Å) | 主引用文献 | The origin and evolution of human glutaminases and their atypical C-terminal ankyrin repeats. J. Biol. Chem., 292, 2017
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5F28
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![BU of 5f28 by Molmil](/molmil-images/mine/5f28) | Crystal structure of FAT domain of Focal Adhesion Kinase (FAK) bound to the transcription factor MEF2C | 分子名称: | Focal adhesion kinase 1, MEF2C | 著者 | Cardoso, A.C, Ambrosio, A.L.B, Dessen, A, Franchini, K.G. | 登録日 | 2015-12-01 | 公開日 | 2016-07-13 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | FAK Forms a Complex with MEF2 to Couple Biomechanical Signaling to Transcription in Cardiomyocytes. Structure, 24, 2016
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7Q1W
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![BU of 7q1w by Molmil](/molmil-images/mine/7q1w) | Ruminococcus gnavus ATC29149 endo-beta-1,4-galactosidase (RgGH98) E411A in complex with blood group A (BgA II) tetrasaccharide | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, GLYCEROL, ... | 著者 | Owen, C.D, Wu, H, Crost, E.H, van Bakel, W, Gascuena, A.M, Latousakis, D, Hicks, T, Walpole, S, Urbanowicz, P.A, Ndeh, D, Monaco, S, Salom, L.S, Griffiths, R, Colvile, A, Spencer, D.I.R, Walsh, M.A, Angulo, J, Juge, N. | 登録日 | 2021-10-21 | 公開日 | 2022-03-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | The human gut symbiont Ruminococcus gnavus shows specificity to blood group A antigen during mucin glycan foraging: Implication for niche colonisation in the gastrointestinal tract. Plos Biol., 19, 2021
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6PDN
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![BU of 6pdn by Molmil](/molmil-images/mine/6pdn) | Human PIM1 bound to benzothiophene inhibitor 292 | 分子名称: | 4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxylic acid, GLYCEROL, Serine/threonine-protein kinase pim-1, ... | 著者 | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | 登録日 | 2019-06-19 | 公開日 | 2019-07-24 | 最終更新日 | 2020-01-01 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Human PIM1 To Be Published
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6PDO
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![BU of 6pdo by Molmil](/molmil-images/mine/6pdo) | Human PIM1 bound to benzothiophene inhibitor 354 | 分子名称: | 4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxamide, Peptide, Serine/threonine-protein kinase pim-1 | 著者 | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | 登録日 | 2019-06-19 | 公開日 | 2019-07-24 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Human PIM1 To Be Published
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6JD9
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![BU of 6jd9 by Molmil](/molmil-images/mine/6jd9) | Proteus mirabilis lipase mutant - I118V/E130G | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha/beta hydrolase, CALCIUM ION | 著者 | Heater, B.S, Chan, W.S, Chan, M.K. | 登録日 | 2019-01-31 | 公開日 | 2019-07-24 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Directed evolution of a genetically encoded immobilized lipase for the efficient production of biodiesel from waste cooking oil. Biotechnol Biofuels, 12, 2019
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8QJR
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![BU of 8qjr by Molmil](/molmil-images/mine/8qjr) | BRG1 bromodomain in complex with VBC via compound 17 | 分子名称: | (2S,4R)-1-[(2R)-2-[3-[2-[4-[3-[4-[(1R,5S)-3-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, CHLORIDE ION, Elongin-B, ... | 著者 | Kerry, P.S, Hole, A.J, Perez-Dorado, J.I. | 登録日 | 2023-09-13 | 公開日 | 2024-01-17 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (3.17 Å) | 主引用文献 | PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models. J.Med.Chem., 67, 2024
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6PDH
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![BU of 6pdh by Molmil](/molmil-images/mine/6pdh) | Crystal Structure of EcDsbA in a complex with purified pyrazole 9 | 分子名称: | 2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide, TRIETHYLENE GLYCOL, Thiol:disulfide interchange protein DsbA | 著者 | Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. | 登録日 | 2019-06-19 | 公開日 | 2020-05-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ). J.Med.Chem., 63, 2020
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5U0V
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![BU of 5u0v by Molmil](/molmil-images/mine/5u0v) | E. coli dihydropteroate synthase complexed with 6-methylamino-5-nitrosoisocytosine | 分子名称: | 2-amino-6-(methylamino)-5-nitrosopyrimidin-4(3H)-one, ACETIC ACID, Dihydropteroate synthase, ... | 著者 | Peat, T.S, Dennis, M.L, Swarbrick, J.D. | 登録日 | 2016-11-27 | 公開日 | 2017-12-06 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | 8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase. Chemistry, 24, 2018
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5F32
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![BU of 5f32 by Molmil](/molmil-images/mine/5f32) | Crystal structure of human KDM4A in complex with compound 40 | 分子名称: | 1,2-ETHANEDIOL, 8-(2-azanyl-1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M. | 登録日 | 2015-12-02 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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8A76
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![BU of 8a76 by Molmil](/molmil-images/mine/8a76) | Metallo-beta-lactamase NDM-1 in complex with 1,2,4-Triazole-3-thione compound 26 | 分子名称: | (2~{S})-2-[bis(pyridin-2-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Vascon, F, Legru, A, Hernandez, J.F, Cendron, L. | 登録日 | 2022-06-20 | 公開日 | 2022-12-14 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Optimization of 1,2,4-Triazole-3-thiones toward Broad-Spectrum Metallo-beta-lactamase Inhibitors Showing Potent Synergistic Activity on VIM- and NDM-1-Producing Clinical Isolates. J.Med.Chem., 65, 2022
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6AP8
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