6HXF
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![BU of 6hxf by Molmil](/molmil-images/mine/6hxf) | Human STK10 bound to a maleimide inhibitor | 分子名称: | 1,2-ETHANEDIOL, 3-(2-methoxyphenyl)-4-[[4-(phenylcarbonyl)phenyl]amino]pyrrole-2,5-dione, CHLORIDE ION, ... | 著者 | Sorrell, F.J, Salah, E, Serafim, R.A.M, Savitsky, P.A, Krojer, T, Bailey, H.J, Pinkas, D, Burgess-Brown, N.A, von Delft, F, Knapp, S, Arrowsmith, C, Bountra, C, Edwards, A.M, Elkins, J.M. | 登録日 | 2018-10-17 | 公開日 | 2018-10-31 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Human STK10 bound to a maleimide inhibitor To Be Published
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6UWV
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![BU of 6uwv by Molmil](/molmil-images/mine/6uwv) | BACE-1 in complex with compound #34 | 分子名称: | (4aR,7aR)-7a-[(1R,2R)-2-(2-{[(1R,2R)-2-methylcyclopropyl]methoxy}propan-2-yl)cyclopropyl]-6-(pyrimidin-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, GLYCEROL, ... | 著者 | Hendle, J, Stout, S.L. | 登録日 | 2019-11-05 | 公開日 | 2019-12-11 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints. Bioorg.Med.Chem., 28, 2020
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6VDS
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![BU of 6vds by Molmil](/molmil-images/mine/6vds) | Crystal Structure of Dehaloperoxidase B in Complex with cofactor Iron(III) Deuteroporphyrin IX and Substrate 4-bromo-ortho-cresol | 分子名称: | 1,2-ETHANEDIOL, 4-bromo-2-methylphenol, Dehaloperoxidase B, ... | 著者 | Ghiladi, R.A, de Serrano, V.S, McGuire, A, Malewschik, T. | 登録日 | 2019-12-27 | 公開日 | 2020-12-30 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Nonnative Heme Incorporation into Multifunctional Globin Increases Peroxygenase Activity an Order and Magnitude Compared to Native Enzyme To Be Published
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3DK1
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![BU of 3dk1 by Molmil](/molmil-images/mine/3dk1) | Wild Type HIV-1 Protease with potent Antiviral inhibitor GRL-0105A | 分子名称: | (4aR,6r,7aS)-hexahydro-4aH-cyclopenta[b][1,4]dioxin-6-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, Protease, ... | 著者 | Wang, Y.F, Weber, I.T. | 登録日 | 2008-06-24 | 公開日 | 2009-05-12 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | 主引用文献 | Potent HIV-1 protease inhibitors incorporating meso-bicyclic urethanes as P2-ligands: structure-based design, synthesis, biological evaluation and protein-ligand X-ray studies Org.Biomol.Chem., 6, 2008
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5D53
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![BU of 5d53 by Molmil](/molmil-images/mine/5d53) | In meso in situ serial X-ray crystallography structure of insulin at 100 K | 分子名称: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Insulin A chain, Insulin B chain, ... | 著者 | Huang, C.-Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. | 登録日 | 2015-08-10 | 公開日 | 2016-01-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures. Acta Crystallogr D Struct Biol, 72, 2016
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6HUF
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![BU of 6huf by Molmil](/molmil-images/mine/6huf) | Coping with strong translational non-crystallographic symmetry and extreme anisotropy in molecular replacement with Phaser: human Rab27a | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Rab-27A | 著者 | Jamshidiha, M, Perez-Dorado, I, Murray, J.W, Tate, E.W, Cota, E, Read, R.J. | 登録日 | 2018-10-08 | 公開日 | 2019-03-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.82 Å) | 主引用文献 | Coping with strong translational noncrystallographic symmetry and extreme anisotropy in molecular replacement with Phaser: human Rab27a. Acta Crystallogr D Struct Biol, 75, 2019
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3DLW
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![BU of 3dlw by Molmil](/molmil-images/mine/3dlw) | Antichymotrypsin | 分子名称: | Alpha-1-antichymotrypsin | 著者 | Feil, S.C. | 登録日 | 2008-06-29 | 公開日 | 2009-07-07 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Identification and characterization of a misfolded monomeric serpin formed at physiological temperature J.Mol.Biol., 403, 2010
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3DSJ
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![BU of 3dsj by Molmil](/molmil-images/mine/3dsj) | Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase Variant (F137L) (At-AOS(F137L), cytochrome P450 74A, CYP74A) Complexed with 13(S)-HOD at 1.60 A Resolution | 分子名称: | (9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid, Cytochrome P450 74A, chloroplast, ... | 著者 | Lee, D.S, Nioche, P, Raman, C.S. | 登録日 | 2008-07-12 | 公開日 | 2008-08-19 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural insights into the evolutionary paths of oxylipin biosynthetic enzymes Nature, 455, 2008
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6T8X
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![BU of 6t8x by Molmil](/molmil-images/mine/6t8x) | Crystal structure of MAPKAPK2 (MK2) complexed with PF-3644022 and 5-(4-bromophenyl)-N-[4-(1-piperazinyl)phenyl]-N-(2-pyridinylmethyl)-2-furancarboxamide | 分子名称: | (10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one, 5-(4-bromophenyl)-~{N}-(4-piperazin-1-ylphenyl)-~{N}-(pyridin-2-ylmethyl)furan-2-carboxamide, CHLORIDE ION, ... | 著者 | Beaumont, E.J, Barker, J. | 登録日 | 2019-10-25 | 公開日 | 2021-05-12 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Crystal structure of MAPKAPK2 (MK2) complexed with PF-3644022 and 5-(4-bromophenyl)-N-[4-(1-piperazinyl)phenyl]-N-(2-pyridinylmethyl)-2-furancarboxamide To Be Published
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5D78
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6TET
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![BU of 6tet by Molmil](/molmil-images/mine/6tet) | The structure of CYP121 in complex with inhibitor L21 | 分子名称: | 1,2-ETHANEDIOL, 1-[(~{E})-3-[4-(4-fluorophenyl)phenyl]prop-2-enyl]imidazole, Mycocyclosin synthase, ... | 著者 | Adam, S, Koehnke, J. | 登録日 | 2019-11-12 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.49986887 Å) | 主引用文献 | Structure-Activity Relationship and Mode-Of-Action Studies Highlight 1-(4-Biphenylylmethyl)-1H-imidazole-Derived Small Molecules as Potent CYP121 Inhibitors. Chemmedchem, 16, 2021
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6HY4
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6TEV
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![BU of 6tev by Molmil](/molmil-images/mine/6tev) | The structure of CYP121 in complex with inhibitor L44 | 分子名称: | 1,2-ETHANEDIOL, 1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole, Mycocyclosin synthase, ... | 著者 | Adam, S, Koehnke, J. | 登録日 | 2019-11-12 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.70001268 Å) | 主引用文献 | Structure-Activity Relationship and Mode-Of-Action Studies Highlight 1-(4-Biphenylylmethyl)-1H-imidazole-Derived Small Molecules as Potent CYP121 Inhibitors. Chemmedchem, 16, 2021
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6TE7
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![BU of 6te7 by Molmil](/molmil-images/mine/6te7) | The structure of CYP121 in complex with inhibitor S2 | 分子名称: | 1,2-ETHANEDIOL, 2-chloranyl-4-[4-[(1~{R})-1-imidazol-1-ylprop-2-enyl]phenyl]phenol, Mycocyclosin synthase, ... | 著者 | Adam, S, Koehnke, J. | 登録日 | 2019-11-11 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.50001824 Å) | 主引用文献 | Structure-Activity Relationship and Mode-Of-Action Studies Highlight 1-(4-Biphenylylmethyl)-1H-imidazole-Derived Small Molecules as Potent CYP121 Inhibitors. Chemmedchem, 16, 2021
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6HYI
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![BU of 6hyi by Molmil](/molmil-images/mine/6hyi) | Regulatory subunit of a cAMP-independent protein kinase A from Trypanosoma cruzi at 1.4 A resolution in complex with inosine | 分子名称: | INOSINE, Protein kinase A regulatory subunit | 著者 | Volpato Santos, Y, Lorentzen, E, Basquin, J, Boshart, M. | 登録日 | 2018-10-22 | 公開日 | 2019-11-13 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.39944851 Å) | 主引用文献 | Purine nucleosides replace cAMP in allosteric regulation of PKA in trypanosomatid pathogens. Elife, 12, 2024
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6HWT
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![BU of 6hwt by Molmil](/molmil-images/mine/6hwt) | Crystal structure of p38alpha in complex with a reduced photoswitchable 2-Azothiazol-based Inhibitor (compound 31) | 分子名称: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-(2-phenylhydrazinyl)-1,3-thiazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | 著者 | Mueller, M.P, Rauh, D. | 登録日 | 2018-10-15 | 公開日 | 2019-04-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | 2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach. Photochem. Photobiol. Sci., 18, 2019
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6HYQ
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3DPO
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5D47
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![BU of 5d47 by Molmil](/molmil-images/mine/5d47) | Crystal Structure of FABP4 in complex with 3-[5-cyclopropyl-3-(3-methoxypyridin-4-yl)-2-phenyl-1H-indol-1-yl] propanoic acid | 分子名称: | 3-[5-cyclopropyl-3-(3-methoxypyridin-4-yl)-2-phenyl-1H-indol-1-yl]propanoic acid, Fatty acid-binding protein, adipocyte | 著者 | Tagami, U, Takahashi, K, Igarashi, S, Ejima, C, Yoshida, T, Takeshita, S, Miyanaga, W, Sugiki, M, Tokumasu, M, Hatanaka, T, Kashiwagi, T, Ishikawa, K, Miyano, H, Mizukoshi, T. | 登録日 | 2015-08-07 | 公開日 | 2016-06-22 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Interaction Analysis of FABP4 Inhibitors by X-ray Crystallography and Fragment Molecular Orbital Analysis Acs Med.Chem.Lett., 7, 2016
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6G92
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6G9A
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3E16
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![BU of 3e16 by Molmil](/molmil-images/mine/3e16) | X-ray structure of human prostasin in complex with Benzoxazole warhead peptidomimic, lysine in P3 | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, Prostasin, ... | 著者 | Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A. | 登録日 | 2008-08-01 | 公開日 | 2008-09-09 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery of inhibitors of the channel-activating protease prostasin (CAP1/PRSS8) utilizing structure-based design. Bioorg.Med.Chem.Lett., 18, 2008
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8A0D
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![BU of 8a0d by Molmil](/molmil-images/mine/8a0d) | Crystal structure of the major guinea pig allergen Cav p 1.0101 part of the lipocalin family | 分子名称: | Allergen lipocalin Cav p 1 isoform 1 | 著者 | Herman, R, Charlier, P, Janssen-Weets, B, Hilger, C, Swiontek, K. | 登録日 | 2022-05-27 | 公開日 | 2022-08-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.685 Å) | 主引用文献 | Mammalian derived lipocalin and secretoglobin respiratory allergens strongly bind ligands with potentially immune modulating properties. Front Allergy, 3, 2022
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6G5J
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![BU of 6g5j by Molmil](/molmil-images/mine/6g5j) | Secreted phospholipase A2 type X in complex with ligand | 分子名称: | (3~{R})-3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]butanoic acid, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Sandmark, J, Oster, L. | 登録日 | 2018-03-29 | 公開日 | 2018-09-05 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Design of Selective sPLA2-X Inhibitor (-)-2-{2-[Carbamoyl-6-(trifluoromethoxy)-1H-indol-1-yl]pyridine-2-yl}propanoic Acid. ACS Med Chem Lett, 9, 2018
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7ZXK
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![BU of 7zxk by Molmil](/molmil-images/mine/7zxk) | Human IL-27 in complex with neutralizing SRF388 FAb fragment | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-27 subunit alpha, Interleukin-27 subunit beta, ... | 著者 | Bloch, Y, Skladanowska, K, Strand, J, Welin, M, Logan, D, Hill, J, Savvides, S.N. | 登録日 | 2022-05-21 | 公開日 | 2022-11-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural basis of activation and antagonism of receptor signaling mediated by interleukin-27. Cell Rep, 41, 2022
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