2ZIR
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![BU of 2zir by Molmil](/molmil-images/mine/2zir) | Crystal Structure of rat protein farnesyltransferase complexed with a benzofuran inhibitor and FPP | 分子名称: | 2-[(S)-(4-chlorophenyl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]-N-morpholin-4-yl-7-phenyl-1-benzofuran-5-carboxamide, FARNESYL DIPHOSPHATE, GLYCEROL, ... | 著者 | Fukami, T.A, Sogabe, S, Nagata, Y, Kondoh, O, Ishii, N. | 登録日 | 2008-02-22 | 公開日 | 2009-02-24 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Synthesis and structure-activity relationships of novel benzofuran farnesyltransferase inhibitors Bioorg.Med.Chem.Lett., 19, 2009
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6WNK
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![BU of 6wnk by Molmil](/molmil-images/mine/6wnk) | Macrocyclic peptides TDI5575 that selectively inhibit the Mycobacterium tuberculosis proteasome | 分子名称: | (12S,15S)-N-[(2-fluorophenyl)methyl]-10,13-dioxo-12-{2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl}-2-oxa-11,14-diazatricyclo[15.2.2.1~3,7~]docosa-1(19),3(22),4,6,17,20-hexaene-15-carboxamide, CITRIC ACID, DIMETHYLFORMAMIDE, ... | 著者 | Hsu, H.C, Li, H. | 登録日 | 2020-04-22 | 公開日 | 2021-04-28 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Macrocyclic Peptides that Selectively Inhibit the Mycobacterium tuberculosis Proteasome. J.Med.Chem., 64, 2021
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7DC8
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![BU of 7dc8 by Molmil](/molmil-images/mine/7dc8) | Crystal structure of Switch Ab Fab and hIL6R in complex with ATP | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Interleukin-6 receptor subunit alpha, SULFATE ION, ... | 著者 | Kadono, S, Fukami, T.A, Kawauchi, H, Torizawa, T, Mimoto, F. | 登録日 | 2020-10-23 | 公開日 | 2021-01-13 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.757 Å) | 主引用文献 | Exploitation of Elevated Extracellular ATP to Specifically Direct Antibody to Tumor Microenvironment. Cell Rep, 33, 2020
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7DC7
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![BU of 7dc7 by Molmil](/molmil-images/mine/7dc7) | Crystal structure of D12 Fab-ATP complex | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, D12 Fab heavy chain, D12 Fab light chain | 著者 | Kawauchi, H, Fukami, T.A, Tatsumi, K, Torizawa, T, Mimoto, F. | 登録日 | 2020-10-23 | 公開日 | 2021-01-13 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Exploitation of Elevated Extracellular ATP to Specifically Direct Antibody to Tumor Microenvironment. Cell Rep, 33, 2020
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6OCZ
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![BU of 6ocz by Molmil](/molmil-images/mine/6ocz) | Crystal Structure of Mycobacterium tuberculosis Proteasome in Complex with Phenylimidazole-based Inhibitor A86 | 分子名称: | CITRIC ACID, DIMETHYLFORMAMIDE, N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name), ... | 著者 | Hsu, H.C, Li, H. | 登録日 | 2019-03-25 | 公開日 | 2019-10-09 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Selective Phenylimidazole-Based Inhibitors of theMycobacterium tuberculosisProteasome. J.Med.Chem., 62, 2019
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6OCW
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![BU of 6ocw by Molmil](/molmil-images/mine/6ocw) | Crystal Structure of Mycobacterium tuberculosis Proteasome in Complex with Phenylimidazole-based Inhibitor A85 | 分子名称: | CITRIC ACID, DIMETHYLFORMAMIDE, N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name), ... | 著者 | Hsu, H.C, Li, H. | 登録日 | 2019-03-25 | 公開日 | 2019-10-09 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Selective Phenylimidazole-Based Inhibitors of theMycobacterium tuberculosisProteasome. J.Med.Chem., 62, 2019
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6ODE
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6MK0
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![BU of 6mk0 by Molmil](/molmil-images/mine/6mk0) | Integrin AlphaVBeta3 ectodomain bound to antagonist TDI-4161 | 分子名称: | (2S)-2-[(1,3-benzothiazole-2-carbonyl)amino]-4-{[5-(1,8-naphthyridin-2-yl)pentanoyl]amino}butanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | van Agthoven, J, Arnaout, M.A. | 登録日 | 2018-09-24 | 公開日 | 2019-09-25 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.005 Å) | 主引用文献 | Novel Pure alphaVbeta3 Integrin Antagonists That Do Not Induce Receptor Extension, Prime the Receptor, or Enhance Angiogenesis at Low Concentrations Acs Pharmacol Transl Sci, 2, 2019
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5F20
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![BU of 5f20 by Molmil](/molmil-images/mine/5f20) | |
5F1Z
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![BU of 5f1z by Molmil](/molmil-images/mine/5f1z) | |
7KMY
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![BU of 7kmy by Molmil](/molmil-images/mine/7kmy) | Structure of Mtb Lpd bound to 010705 | 分子名称: | Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | 著者 | Lima, C.D. | 登録日 | 2020-11-03 | 公開日 | 2021-01-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Whole Cell Active Inhibitors of Mycobacterial Lipoamide Dehydrogenase Afford Selectivity over the Human Enzyme through Tight Binding Interactions. Acs Infect Dis., 7, 2021
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2ZDU
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![BU of 2zdu by Molmil](/molmil-images/mine/2zdu) | Crystal Structure of human JNK3 complexed with an isoquinolone inhibitor | 分子名称: | 4-[(4-{[6-bromo-3-(methoxycarbonyl)-1-oxo-4-phenylisoquinolin-2(1H)-yl]methyl}phenyl)amino]-4-oxobutanoic acid, Mitogen-activated protein kinase 10 | 著者 | Sogabe, S, Ohra, T, Itoh, F, Habuka, N, Fujishima, A. | 登録日 | 2007-11-27 | 公開日 | 2008-09-23 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery, synthesis and biological evaluation of isoquinolones as novel and highly selective JNK inhibitors (1) Bioorg.Med.Chem., 16, 2008
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5WE8
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![BU of 5we8 by Molmil](/molmil-images/mine/5we8) | |
2AIK
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![BU of 2aik by Molmil](/molmil-images/mine/2aik) | |
2AIJ
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8SQN
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![BU of 8sqn by Molmil](/molmil-images/mine/8sqn) | CryoEM structure of Western equine encephalitis virus VLP in complex with the chimeric Du-D1-Mo-D2 MXRA8 receptor | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DuD1MoD2 chimeric MXRA8, E1 envelope glycoprotein, ... | 著者 | Zimmerman, M.I, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | 登録日 | 2023-05-04 | 公開日 | 2023-12-20 | 実験手法 | ELECTRON MICROSCOPY (3.89 Å) | 主引用文献 | Vertebrate-class-specific binding modes of the alphavirus receptor MXRA8. Cell, 186, 2023
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5WDY
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3ORN
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![BU of 3orn by Molmil](/molmil-images/mine/3orn) | Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4987655 and MgAMP-PNP | 分子名称: | 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(3-oxo-1,2-oxazinan-2-yl)methyl]benzamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | 著者 | Lukacs, C.M, Janson, C, Schuck, V, Belunis, C. | 登録日 | 2010-09-07 | 公開日 | 2011-03-02 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Design and synthesis of novel allosteric MEK inhibitor CH4987655 as an orally available anticancer agent. Bioorg.Med.Chem.Lett., 21, 2011
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3OS3
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![BU of 3os3 by Molmil](/molmil-images/mine/3os3) | Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4858061 and MgATP | 分子名称: | 2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-N-(2-hydroxyethoxy)-5-{[(2-hydroxyethoxy)imino]methyl}benzamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... | 著者 | Lukacs, C.M, Janson, C, Schuck, V, Belunis, C. | 登録日 | 2010-09-08 | 公開日 | 2011-07-27 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Design and synthesis of novel allosteric MEK inhibitor CH4987655 as an orally available anticancer agent. Bioorg.Med.Chem.Lett., 21, 2011
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2GEE
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![BU of 2gee by Molmil](/molmil-images/mine/2gee) | Crystal Structure of Human Type III Fibronectin Extradomain B and Domain 8 | 分子名称: | hypothetical protein | 著者 | Bencharit, S, Cui, C.B, Siddiqui, A, Howard-Williams, E.L, Aukhil, I. | 登録日 | 2006-03-19 | 公開日 | 2006-10-17 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Structural insights into fibronectin type III domain-mediated signaling. J.Mol.Biol., 367, 2007
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2AFT
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![BU of 2aft by Molmil](/molmil-images/mine/2aft) | Formylglycine generating enzyme C336S mutant | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Sulfatase modifying factor 1 | 著者 | Roeser, D, Rudolph, M.G. | 登録日 | 2005-07-26 | 公開日 | 2005-12-13 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | A general binding mechanism for all human sulfatases by the formylglycine-generating enzyme Proc.Natl.Acad.Sci.Usa, 103, 2006
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2AFY
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![BU of 2afy by Molmil](/molmil-images/mine/2afy) | Formylglycine generating enzyme C341S mutant | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Sulfatase modifying factor 1 | 著者 | Roeser, D, Rudolph, M.G. | 登録日 | 2005-07-26 | 公開日 | 2005-12-13 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | A general binding mechanism for all human sulfatases by the formylglycine-generating enzyme Proc.Natl.Acad.Sci.Usa, 103, 2006
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2AII
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1S78
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![BU of 1s78 by Molmil](/molmil-images/mine/1s78) | Insights into ErbB signaling from the structure of the ErbB2-pertuzumab complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Pertuzumab Fab heavy chain, ... | 著者 | Franklin, M.C, Carey, K.D, Vajdos, F.F, Leahy, D.J, de Vos, A.M, Sliwkowski, M.X. | 登録日 | 2004-01-29 | 公開日 | 2004-04-27 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | 主引用文献 | Insights into ErbB signaling from the structure of the ErbB2-pertuzumab complex. Cancer Cell, 5, 2004
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5M0W
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![BU of 5m0w by Molmil](/molmil-images/mine/5m0w) | N-terminal domain of mouse Shisa 3 | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | 著者 | Lohkamp, B, Ojala, J.R.M. | 登録日 | 2016-10-06 | 公開日 | 2017-04-05 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Ab initio solution of macromolecular crystal structures without direct methods. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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