8FX0
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![BU of 8fx0 by Molmil](/molmil-images/mine/8fx0) | Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to (S)-SerMe-ImmH Phosphonate | 分子名称: | Hypoxanthine-guanine phosphoribosyltransferase, [(3R)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid | 著者 | Hughes, R, Meneely, K.M, Glockzin, K, Clinch, K, Tyler, P.C, Lamb, A.L, Meek, T.D, Katzfuss, A. | 登録日 | 2023-01-23 | 公開日 | 2023-07-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors. Biochemistry, 62, 2023
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8FX2
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![BU of 8fx2 by Molmil](/molmil-images/mine/8fx2) | Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to Immucillin-HP | 分子名称: | (1S)-1(9-DEAZAHYPOXANTHIN-9YL)1,4-DIDEOXY-1,4-IMINO-D-RIBITOL-5-PHOSPHATE, Hypoxanthine-guanine phosphoribosyltransferase | 著者 | Hughes, R, Meneely, K.M, Glockzin, K, Suthagar, K, Tyler, P.C, Lamb, A.L, Meek, T.D, Katzfuss, A. | 登録日 | 2023-01-23 | 公開日 | 2023-07-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors. Biochemistry, 62, 2023
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8FWZ
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![BU of 8fwz by Molmil](/molmil-images/mine/8fwz) | Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to Hydroxypropyl-Lin-ImmH Phosphonate | 分子名称: | Hypoxanthine-guanine phosphoribosyltransferase, PHOSPHATE ION, [(2R)-2-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}propyl]phosphonic acid | 著者 | Hughes, R, Meneely, K.M, Glockzin, K, Clinch, K, Tyler, P.C, Lamb, A.L, Meek, T.D, Katzfuss, A. | 登録日 | 2023-01-23 | 公開日 | 2023-07-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors. Biochemistry, 62, 2023
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6Z8G
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![BU of 6z8g by Molmil](/molmil-images/mine/6z8g) | Crystal structure of VSG13 soaked in 0.5 M used to phase VSG13 to solve the structure. | 分子名称: | BROMIDE ION, SULFATE ION, Variant surface glycoprotein MITat 1.13, ... | 著者 | Stebbins, C.E, Hempelmann, A, Van Straaten, M, Zeelen, J. | 登録日 | 2020-06-02 | 公開日 | 2021-03-17 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Structure of trypanosome coat protein VSGsur and function in suramin resistance. Nat Microbiol, 6, 2021
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6Z8H
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![BU of 6z8h by Molmil](/molmil-images/mine/6z8h) | Crystal structure of Variant Surface Glycoprotein VSG13 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Variant surface glycoprotein MITat 1.13, ... | 著者 | Stebbins, C.E, Hempelmann, A, Van Straaten, M, Zeelen, J. | 登録日 | 2020-06-02 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Structure of trypanosome coat protein VSGsur and function in suramin resistance. Nat Microbiol, 6, 2021
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7CCA
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![BU of 7cca by Molmil](/molmil-images/mine/7cca) | Crystal structure of White Spot Syndrome Virus Thymidylate Synthase - ternary complex with Methotrexate and dUMP | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, METHOTREXATE, Thymidylate Synthase | 著者 | Panchal, N.V, Kumar, S, Shaikh, N, Vasudevan, D. | 登録日 | 2020-06-16 | 公開日 | 2020-11-25 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Structure analysis of thymidylate synthase from white spot syndrome virus reveals WSSV-specific structural elements. Int.J.Biol.Macromol., 167, 2021
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6P4I
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![BU of 6p4i by Molmil](/molmil-images/mine/6p4i) | |
6P5G
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![BU of 6p5g by Molmil](/molmil-images/mine/6p5g) | |
6P5F
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![BU of 6p5f by Molmil](/molmil-images/mine/6p5f) | |
6P5E
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![BU of 6p5e by Molmil](/molmil-images/mine/6p5e) | |
7YXR
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![BU of 7yxr by Molmil](/molmil-images/mine/7yxr) | Crystal structure of mutant AncGR2-LBD (Y545A) bound to dexamethasone and SHP coregulator fragment | 分子名称: | Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, FORMIC ACID, ... | 著者 | Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. | 登録日 | 2022-02-16 | 公開日 | 2022-12-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities. Nucleic Acids Res., 50, 2022
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7YXN
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![BU of 7yxn by Molmil](/molmil-images/mine/7yxn) | Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment | 分子名称: | Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, FORMIC ACID, ... | 著者 | Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. | 登録日 | 2022-02-16 | 公開日 | 2022-12-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities. Nucleic Acids Res., 50, 2022
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6P5D
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![BU of 6p5d by Molmil](/molmil-images/mine/6p5d) | |
7QDP
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![BU of 7qdp by Molmil](/molmil-images/mine/7qdp) | |
3PIU
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![BU of 3piu by Molmil](/molmil-images/mine/3piu) | |
4QSM
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![BU of 4qsm by Molmil](/molmil-images/mine/4qsm) | Crystal structure of human muscle L-lactate dehydrogenase in complex with inhibitor 2, 3-{[7-(2,4-dimethoxypyrimidin-5-yl)-3-sulfamoylquinolin-4-yl]amino}benzoic acid | 分子名称: | 3-{[7-(2,4-dimethoxypyrimidin-5-yl)-3-sulfamoylquinolin-4-yl]amino}benzoic acid, L-lactate dehydrogenase A chain | 著者 | Kolappan, S, Craig, L. | 登録日 | 2014-07-06 | 公開日 | 2014-12-03 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structures of lactate dehydrogenase A (LDHA) in apo, ternary and inhibitor-bound forms. Acta Crystallogr.,Sect.D, 71, 2015
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7FMQ
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![BU of 7fmq by Molmil](/molmil-images/mine/7fmq) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06E04 from the F2X-Universal Library | 分子名称: | 3-phenoxypropanoic acid, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | 著者 | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | 登録日 | 2022-08-26 | 公開日 | 2022-11-02 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem., 65, 2022
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8B5V
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4QT0
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![BU of 4qt0 by Molmil](/molmil-images/mine/4qt0) | Crystal structure of human muscle L-lactate dehydrogenase in complex with inhibitor 1, 3-{[3-CARBAMOYL-7-(2,4-DIMETHOXYPYRIMIDIN-5-YL)QUINOLIN-4-YL]AMINO}BENZOIC ACID | 分子名称: | 3-{[3-carbamoyl-7-(2,4-dimethoxypyrimidin-5-yl)quinolin-4-yl]amino}benzoic acid, L-lactate dehydrogenase A chain | 著者 | Kolappan, S, Craig, L. | 登録日 | 2014-07-06 | 公開日 | 2014-12-03 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Structures of lactate dehydrogenase A (LDHA) in apo, ternary and inhibitor-bound forms. Acta Crystallogr.,Sect.D, 71, 2015
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5RFY
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![BU of 5rfy by Molmil](/molmil-images/mine/5rfy) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102974 | 分子名称: | 1-acetyl-N-methyl-N-(propan-2-yl)piperidine-4-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-03-15 | 公開日 | 2020-03-25 | 最終更新日 | 2021-02-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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5RGR
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![BU of 5rgr by Molmil](/molmil-images/mine/5rgr) | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z328695024 (Mpro-x1101) | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, N,1-dimethyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-04-07 | 公開日 | 2020-04-15 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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5RLV
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![BU of 5rlv by Molmil](/molmil-images/mine/5rlv) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z2467208649 | 分子名称: | Helicase, N-(propan-2-yl)-1H-benzimidazol-2-amine, PHOSPHATE ION, ... | 著者 | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2020-09-16 | 公開日 | 2020-09-30 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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6O3C
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![BU of 6o3c by Molmil](/molmil-images/mine/6o3c) | Crystal structure of active Smoothened bound to SAG21k, cholesterol, and NbSmo8 | 分子名称: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-chloro-4,7-difluoro-N-{[2-methoxy-5-(pyridin-4-yl)phenyl]methyl}-N-[trans-4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide, ... | 著者 | Deshpande, I.S, Liang, J, Hedeen, D, Roberts, K.J, Zhang, Y, Ha, B, Latorraca, N.R, Faust, B, Dror, R.O, Beachy, P.A, Myers, B.R, Manglik, A. | 登録日 | 2019-02-26 | 公開日 | 2019-07-03 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Smoothened stimulation by membrane sterols drives Hedgehog pathway activity. Nature, 571, 2019
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8C3N
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7Q3P
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![BU of 7q3p by Molmil](/molmil-images/mine/7q3p) | Crystal structure of IgG1-Fc-MST-HN (efgartigimod) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Pannecoucke, E, Savvides, S.N. | 登録日 | 2021-10-28 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The Fab region of IgG impairs the internalization pathway of FcRn upon Fc engagement. Nat Commun, 13, 2022
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