3O8M
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![BU of 3o8m by Molmil](/molmil-images/mine/3o8m) | Crystal structure of monomeric KlHxk1 in crystal form XI with glucose bound (closed state) | 分子名称: | CHLORIDE ION, Hexokinase, alpha-D-glucopyranose, ... | 著者 | Kuettner, E.B, Kettner, K, Keim, A, Kriegel, T.M, Strater, N. | 登録日 | 2010-08-03 | 公開日 | 2010-10-13 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis: A MOLECULAR BASIS FOR UNDERSTANDING THE CONTROL OF YEAST HEXOKINASE FUNCTIONS VIA COVALENT MODIFICATION AND OLIGOMERIZATION. J.Biol.Chem., 285, 2010
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6SPX
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![BU of 6spx by Molmil](/molmil-images/mine/6spx) | Structure of protein kinase CK2 catalytic subunit in complex with the CK2beta-competitive bisubstrate inhibitor ARC1502 | 分子名称: | 8-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]octanoic acid, ARC1502, Casein kinase II subunit alpha | 著者 | Niefind, K, Schnitzler, A. | 登録日 | 2019-09-03 | 公開日 | 2020-01-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.994 Å) | 主引用文献 | Unexpected CK2 beta-antagonistic functionality of bisubstrate inhibitors targeting protein kinase CK2. Bioorg.Chem., 96, 2020
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6FH5
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![BU of 6fh5 by Molmil](/molmil-images/mine/6fh5) | PI3Kg IN COMPLEX WITH Compound 7 | 分子名称: | 3-methyl-1-(oxan-4-yl)-8-pyridin-3-yl-imidazo[4,5-c]quinolin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 著者 | Petersen, J, Barlaam, B. | 登録日 | 2018-01-12 | 公開日 | 2019-01-30 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | 主引用文献 | Discovery and Optimisation of a Novel Series of 3-Cinnoline Carboxamides as Orally Bioavailable, Highly Potent and Selective Ataxia Telangiectasia Mutated (ATM) inhibitors To Be Published
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1HP1
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![BU of 1hp1 by Molmil](/molmil-images/mine/1hp1) | 5'-NUCLEOTIDASE (OPEN FORM) COMPLEX WITH ATP | 分子名称: | 5'-NUCLEOTIDASE, ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, ... | 著者 | Knoefel, T, Straeter, N. | 登録日 | 2000-12-12 | 公開日 | 2002-03-20 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Mechanism of hydrolysis of phosphate esters by the dimetal center of 5'-nucleotidase based on crystal structures. J.Mol.Biol., 309, 2001
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6FIB
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![BU of 6fib by Molmil](/molmil-images/mine/6fib) | Structure of human 4-1BB ligand | 分子名称: | Tumor necrosis factor ligand superfamily member 9, Tumor necrosis factor ligand superfamily member 9,4-1BBL -CH/CL fusion, Tumor necrosis factor ligand superfamily member 9,Uncharacterized protein | 著者 | Joseph, C, Claus, C, Ferrara, C, von Hirschheydt, T, Prince, C, Funk, D, Klein, C, Benz, J. | 登録日 | 2018-01-17 | 公開日 | 2019-03-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Tumor-targeted 4-1BB agonists for combination with T cell bispecific antibodies as off-the-shelf therapy. Sci Transl Med, 11, 2019
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3M7N
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6T68
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![BU of 6t68 by Molmil](/molmil-images/mine/6t68) | Crystal structure of Trypanosoma brucei Morn1 | 分子名称: | CHLORIDE ION, MORN repeat-containing protein 1 | 著者 | Grishkovskaya, I, Kostan, J, Sajko, S, Morriswood, B, Djinovic-Carugo, K. | 登録日 | 2019-10-17 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | 主引用文献 | Structures of three MORN repeat proteins and a re-evaluation of the proposed lipid-binding properties of MORN repeats. Plos One, 15, 2020
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6FKQ
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![BU of 6fkq by Molmil](/molmil-images/mine/6fkq) | THE CRYSTAL STRUCTURE OF A FRAGMENT OF NETRIN-1 IN COMPLEX WITH A FRAGMENT OF DRAXIN | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Bhowmick, T, Meijers, R. | 登録日 | 2018-01-24 | 公開日 | 2018-03-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (3.07 Å) | 主引用文献 | Structural Basis for Draxin-Modulated Axon Guidance and Fasciculation by Netrin-1 through DCC. Neuron, 97, 2018
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3M86
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![BU of 3m86 by Molmil](/molmil-images/mine/3m86) | Crystal structure of the cysteine protease inhibitor, EhICP2, from Entamoeba histolytica | 分子名称: | Amoebiasin-2, CHLORIDE ION, PENTAETHYLENE GLYCOL, ... | 著者 | Lara-Gonzalez, S, Casados-Vazquez, L.E, Brieba, L.G. | 登録日 | 2010-03-17 | 公開日 | 2011-02-02 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Crystal structure of the cysteine protease inhibitor 2 from Entamoeba histolytica: functional convergence of a common protein fold. Gene, 471, 2011
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6G3X
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6T4R
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![BU of 6t4r by Molmil](/molmil-images/mine/6t4r) | Crystal structure of Trypanosoma brucei Morn1 | 分子名称: | MORN repeat-containing protein 1 | 著者 | Grishkovskaya, I, Kostan, J, Sajko, S, Morriswood, B, Djinovic-Carugo, K. | 登録日 | 2019-10-14 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.352 Å) | 主引用文献 | Structures of three MORN repeat proteins and a re-evaluation of the proposed lipid-binding properties of MORN repeats. Plos One, 15, 2020
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1I5Y
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![BU of 1i5y by Molmil](/molmil-images/mine/1i5y) | HIV-1 GP41 CORE | 分子名称: | SULFATE ION, TRANSMEMBRANE GLYCOPROTEIN (GP41) | 著者 | Liu, J, Lu, M. | 登録日 | 2001-03-01 | 公開日 | 2002-09-10 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural and functional analysis of interhelical interactions in the human
immunodeficiency virus type 1 gp41 envelope glycoprotein by alanine-scanning
mutagenesis. J.Virol., 75, 2001
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6FWV
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3MDX
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6T7P
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![BU of 6t7p by Molmil](/molmil-images/mine/6t7p) | human plasmakallikrein protease domain in complex with active site directed inhibitor | 分子名称: | (2~{S},4~{R})-1-[[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-6-yl]carbonyl]-~{N}-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide, DIMETHYL SULFOXIDE, GLUTATHIONE, ... | 著者 | Renatus, M. | 登録日 | 2019-10-22 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.416 Å) | 主引用文献 | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach. J.Med.Chem., 63, 2020
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3MNR
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![BU of 3mnr by Molmil](/molmil-images/mine/3mnr) | Crystal Structure of Benzamide SNX-1321 bound to Hsp90 | 分子名称: | 2-[(3,4,5-trimethoxyphenyl)amino]-4-(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide, Heat shock protein HSP 90-alpha | 著者 | Veal, J.M, Fadden, P, Huang, K.H, Rice, J, Hall, S.E, Haytstead, T.A. | 登録日 | 2010-04-22 | 公開日 | 2010-08-11 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Application of Chemoproteomics to Drug Discovery: Identification of a Clinical Candidate Targeting Hsp90. Chem.Biol., 17, 2010
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1I5X
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![BU of 1i5x by Molmil](/molmil-images/mine/1i5x) | HIV-1 GP41 CORE | 分子名称: | SULFATE ION, TRANSMEMBRANE GLYCOPROTEIN (GP41) | 著者 | Liu, J, Lu, M. | 登録日 | 2001-03-01 | 公開日 | 2002-09-10 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural and functional analysis of interhelical interactions in the human
immunodeficiency virus type 1 gp41 envelope glycoprotein by alanine-scanning
mutagenesis. J.Virol., 75, 2001
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6TN9
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![BU of 6tn9 by Molmil](/molmil-images/mine/6tn9) | X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 16 | 分子名称: | Dual specificity protein kinase TTK, [4-[[6-(3,5-dimethyl-4-oxidanyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-yl-methanone | 著者 | Marquardt, T, Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. | 登録日 | 2019-12-06 | 公開日 | 2020-05-13 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase. J.Med.Chem., 63, 2020
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6TND
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![BU of 6tnd by Molmil](/molmil-images/mine/6tnd) | X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 79 | 分子名称: | BAY 1217389, Dual specificity protein kinase TTK | 著者 | Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Marquardt, T, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. | 登録日 | 2019-12-06 | 公開日 | 2020-05-13 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase. J.Med.Chem., 63, 2020
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6TNS
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![BU of 6tns by Molmil](/molmil-images/mine/6tns) | PI3K delta in complex with 2methoxyN[2methoxy5(7{[(2R)4(oxetan3 yl)morpholin2yl]methoxy}1,3dihydro2 benzofuran5yl)pyridin3yl]ethane1 sulfonamide | 分子名称: | 2-methoxy-~{N}-[2-methoxy-5-[7-[[(2~{R})-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]ethanesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Convery, M.A, Rowland, P, Henley, Z.A, Barton, N, Down, K. | 登録日 | 2019-12-10 | 公開日 | 2020-01-01 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Optimization of Orally Bioavailable PI3K delta Inhibitors and Identification of Vps34 as a Key Selectivity Target. J.Med.Chem., 63, 2020
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6R3S
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![BU of 6r3s by Molmil](/molmil-images/mine/6r3s) | CRYSTAL STRUCTURE OF CDK8-CycC IN COMPLEX WITH COMPOUND 1 | 分子名称: | 1,2-ETHANEDIOL, 6-[5-chloranyl-4-[(1~{S})-1-oxidanylethyl]pyridin-3-yl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide, Cyclin-C, ... | 著者 | Boettcher, J. | 登録日 | 2019-03-21 | 公開日 | 2020-04-08 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance. Mol.Cancer Ther., 19, 2020
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6FNH
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![BU of 6fnh by Molmil](/molmil-images/mine/6fnh) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with a pyrazolo[3,4-d]pyrimidine fragment of NVP-BHG712 | 分子名称: | 1,2-ETHANEDIOL, 1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-amine, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-02-04 | 公開日 | 2018-08-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.379 Å) | 主引用文献 | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. ChemMedChem, 13, 2018
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6R5F
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![BU of 6r5f by Molmil](/molmil-images/mine/6r5f) | Crystal structure of RIP1 kinase in complex with DHP77 | 分子名称: | Receptor-interacting serine/threonine-protein kinase 1, [(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone | 著者 | Thorpe, J.H, Campobasso, N, Harris, P.A. | 登録日 | 2019-03-25 | 公開日 | 2019-05-01 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | 主引用文献 | Discovery and Lead-Optimization of 4,5-Dihydropyrazoles as Mono-Kinase Selective, Orally Bioavailable and Efficacious Inhibitors of Receptor Interacting Protein 1 (RIP1) Kinase. J.Med.Chem., 62, 2019
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3M1N
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![BU of 3m1n by Molmil](/molmil-images/mine/3m1n) | Crystal structure of Human Sonic Hedgehog N-terminal domain | 分子名称: | SULFATE ION, Sonic hedgehog protein, ZINC ION | 著者 | Boriack-Sjodin, P.A, Pepinsky, R.B, Garber, E.A, Silvian, L.F. | 登録日 | 2010-03-05 | 公開日 | 2010-03-16 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Mapping sonic hedgehog-receptor interactions by steric interference. J.Biol.Chem., 275, 2000
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6FNG
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![BU of 6fng by Molmil](/molmil-images/mine/6fng) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with an isomer of NVP-BHG712 | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-3-[(2-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-02-04 | 公開日 | 2018-08-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.038 Å) | 主引用文献 | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. ChemMedChem, 13, 2018
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