2OXW
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![BU of 2oxw by Molmil](/molmil-images/mine/2oxw) | Human MMP-12 complexed with the peptide IAG | 分子名称: | CALCIUM ION, ILE-ALA-GLY peptide, Macrophage metalloelastase, ... | 著者 | Calderone, V, Bertini, I, Fragai, M, Luchinat, C, Maletta, M, Yeo, K.J. | 登録日 | 2007-02-21 | 公開日 | 2007-03-06 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Snapshots of the reaction mechanism of matrix metalloproteinases. ANGEW.CHEM.INT.ED.ENGL., 45, 2006
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2OXZ
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![BU of 2oxz by Molmil](/molmil-images/mine/2oxz) | Human MMP-12 in complex with two peptides PQG and IAG | 分子名称: | CALCIUM ION, ILE-ALA-GLY peptide, Macrophage metalloelastase, ... | 著者 | Calderone, V, Bertini, I, Fragai, M, Luchinat, C, Maletta, M, Yeo, K.J. | 登録日 | 2007-02-21 | 公開日 | 2007-03-06 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Snapshots of the reaction mechanism of matrix metalloproteinases. ANGEW.CHEM.INT.ED.ENGL., 45, 2006
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2NLR
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6UN8
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![BU of 6un8 by Molmil](/molmil-images/mine/6un8) | Wild type ANT bound to neomycin | 分子名称: | Aminoglycoside NucleotidylTransferase, MAGNESIUM ION, NEOMYCIN | 著者 | Cuneo, M.J, Selvaraj, B. | 登録日 | 2019-10-11 | 公開日 | 2020-05-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | "Catch and Release": a Variation of the Archetypal NucleotidylTransfer Reaction ACS Catal, 10, 2020
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5DYO
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![BU of 5dyo by Molmil](/molmil-images/mine/5dyo) | Fab43.1 complex with flourescein | 分子名称: | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID, Fab 43.1 Heavy Chain, Fab 43.1 Light Chain, ... | 著者 | Longenecker, K.L, Judge, R.A. | 登録日 | 2015-09-25 | 公開日 | 2016-01-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Three-dimensional structure, binding, and spectroscopic characteristics of the monoclonal antibody 43.1 directed to the carboxyphenyl moiety of fluorescein. Biopolymers, 105, 2016
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4MHO
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![BU of 4mho by Molmil](/molmil-images/mine/4mho) | Crystal structure of Gpb in complex with S3, SUGAR (N-[(BIPHENYL-4-YLOXY)ACETYL]-BETA-D-GLUCOPYRANOSYLAMINE) | 分子名称: | Glycogen phosphorylase, muscle form, N-[(biphenyl-4-yloxy)acetyl]-beta-D-glucopyranosylamine | 著者 | Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D. | 登録日 | 2013-08-30 | 公開日 | 2014-07-23 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure based inhibitor design targeting glycogen phosphorylase b. Virtual screening, synthesis, biochemical and biological assessment of novel N-acyl-beta-d-glucopyranosylamines. Bioorg.Med.Chem., 22, 2014
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4MEY
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![BU of 4mey by Molmil](/molmil-images/mine/4mey) | Crystal structure of Escherichia coli RNA polymerase holoenzyme | 分子名称: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | 著者 | Feng, Y, Zhang, Y, Arnold, E, Ebright, R.H. | 登録日 | 2013-08-27 | 公開日 | 2014-05-21 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.948 Å) | 主引用文献 | Transcription inhibition by the depsipeptide antibiotic salinamide A. Elife, 3, 2014
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4MIC
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![BU of 4mic by Molmil](/molmil-images/mine/4mic) | Crystal structure of Gpb in complex with SUGAR (N-{(2E)-3-[4-(PROPAN-2-YL)PHENYL]PROP-2-ENOYL}-BETA-D-GLUCOPYRANOSYLAMINE) (S6) | 分子名称: | Glycogen phosphorylase, muscle form, N-{(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}-beta-D-glucopyranosylamine | 著者 | Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D. | 登録日 | 2013-08-30 | 公開日 | 2014-07-23 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structure based inhibitor design targeting glycogen phosphorylase b. Virtual screening, synthesis, biochemical and biological assessment of novel N-acyl-beta-d-glucopyranosylamines. Bioorg.Med.Chem., 22, 2014
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6URC
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![BU of 6urc by Molmil](/molmil-images/mine/6urc) | Crystal structure of IRE1a in complex with compound 18 | 分子名称: | 2-chloro-N-(6-methyl-5-{[3-(2-{[(3S)-piperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}naphthalen-1-yl)benzene-1-sulfonamide, GLYCEROL, Serine/threonine-protein kinase/endoribonuclease IRE1 | 著者 | Wallweber, H.H, Wang, W. | 登録日 | 2019-10-23 | 公開日 | 2019-11-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Disruption of IRE1 alpha through its kinase domain attenuates multiple myeloma. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5EXN
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![BU of 5exn by Molmil](/molmil-images/mine/5exn) | FACTOR XIA (C500S [C122S]) IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate | 著者 | Sheriff, S. | 登録日 | 2015-11-23 | 公開日 | 2016-04-13 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group Bioorg.Med.Chem., 24, 2016
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4MPH
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![BU of 4mph by Molmil](/molmil-images/mine/4mph) | Crystal structure of BaLdcB / VanY-like L,D-carboxypeptidase Zinc(II)-bound | 分子名称: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, D-alanyl-D-alanine carboxypeptidase family protein, ... | 著者 | Stogios, P.J, Wawrzak, Z, Onopriyenko, O, Skarina, T, Shatsman, S, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2013-09-12 | 公開日 | 2013-09-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.0301 Å) | 主引用文献 | Structure of the LdcB LD-Carboxypeptidase Reveals the Molecular Basis of Peptidoglycan Recognition. Structure, 22, 2014
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5F74
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![BU of 5f74 by Molmil](/molmil-images/mine/5f74) | Crystal structure of ChREBP:14-3-3 complex bound with AMP | 分子名称: | 14-3-3 protein beta/alpha, ADENOSINE MONOPHOSPHATE, Carbohydrate-responsive element-binding protein | 著者 | Jung, H, Uyeda, K. | 登録日 | 2015-12-07 | 公開日 | 2016-03-23 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Metabolite Regulation of Nuclear Localization of Carbohydrate-response Element-binding Protein (ChREBP): ROLE OF AMP AS AN ALLOSTERIC INHIBITOR. J.Biol.Chem., 291, 2016
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5EXL
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![BU of 5exl by Molmil](/molmil-images/mine/5exl) | |
3EHY
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![BU of 3ehy by Molmil](/molmil-images/mine/3ehy) | |
5EXM
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![BU of 5exm by Molmil](/molmil-images/mine/5exm) | |
3F16
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3F17
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![BU of 3f17 by Molmil](/molmil-images/mine/3f17) | |
4LM7
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![BU of 4lm7 by Molmil](/molmil-images/mine/4lm7) | |
3F15
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1K46
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![BU of 1k46 by Molmil](/molmil-images/mine/1k46) | Crystal Structure of the Type III Secretory Domain of Yersinia YopH Reveals a Domain-Swapped Dimer | 分子名称: | PROTEIN-TYROSINE PHOSPHATASE YOPH | 著者 | Smith, C.L, Khandelwal, P, Keliikuli, K, Zuiderweg, E.R.P, Saper, M.A. | 登録日 | 2001-10-05 | 公開日 | 2001-11-28 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure of the type III secretion and substrate-binding domain of Yersinia YopH phosphatase. Mol.Microbiol., 42, 2001
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4KXJ
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![BU of 4kxj by Molmil](/molmil-images/mine/4kxj) | Crystal structure of HCoV-OC43 N-NTD complexed with PJ34 | 分子名称: | Nucleoprotein, N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | 著者 | Lin, S.Y, Hou, M.H. | 登録日 | 2013-05-27 | 公開日 | 2014-05-28 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Structural basis for the identification of the N-terminal domain of coronavirus nucleocapsid protein as an antiviral target J.Med.Chem., 57, 2014
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4NJ8
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8TGD
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![BU of 8tgd by Molmil](/molmil-images/mine/8tgd) | STX-478, a Mutant-Selective, Allosteric Inhibitor bound to H1047R PI3Kalpha | 分子名称: | 1,2-ETHANEDIOL, N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea, N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, ... | 著者 | Hilbert, B, Brooijmans, N, Buckbinder, L, St.Jean Jr, D.J. | 登録日 | 2023-07-12 | 公開日 | 2023-09-06 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.928 Å) | 主引用文献 | STX-478, a Mutant-Selective, Allosteric PI3K alpha Inhibitor Spares Metabolic Dysfunction and Improves Therapeutic Response in PI3K alpha-Mutant Xenografts. Cancer Discov, 13, 2023
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8TDU
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![BU of 8tdu by Molmil](/molmil-images/mine/8tdu) | STX-478, a Mutant-Selective, Allosteric Inhibitor bound to PI3Kalpha | 分子名称: | N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea, N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | 著者 | Hilbert, B.J, Brooijmans, N, Buckbinder, L, St.Jean Jr, D.J. | 登録日 | 2023-07-05 | 公開日 | 2023-09-06 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.11 Å) | 主引用文献 | STX-478, a Mutant-Selective, Allosteric PI3K alpha Inhibitor Spares Metabolic Dysfunction and Improves Therapeutic Response in PI3K alpha-Mutant Xenografts. Cancer Discov, 13, 2023
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4MHS
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![BU of 4mhs by Molmil](/molmil-images/mine/4mhs) | Crystal structure of Gpb in complex with SUGAR (N-[(2E)-3-(BIPHENYL-4-YL)PROP-2-ENOYL]-BETA-D-GLUCOPYRANOSYLAMINE | 分子名称: | DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form, ... | 著者 | Kantsadi, L.A, Chatzileontiadou, S.M.D, Leonidas, D.D. | 登録日 | 2013-08-30 | 公開日 | 2014-07-23 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure based inhibitor design targeting glycogen phosphorylase b. Virtual screening, synthesis, biochemical and biological assessment of novel N-acyl-beta-d-glucopyranosylamines. Bioorg.Med.Chem., 22, 2014
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