4D5J
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![BU of 4d5j by Molmil](/molmil-images/mine/4d5j) | Hypocrea jecorina cellobiohydrolase Cel7A E217Q soaked with xylotriose. | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ... | 著者 | Momeni, M.H, Ubhayasekera, W, Stahlberg, J, Hansson, H. | 登録日 | 2014-11-05 | 公開日 | 2015-03-25 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural Insights Into the Inhibition of Cellobiohydrolase Cel7A by Xylooligosaccharides. FEBS J., 282, 2015
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4D5P
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![BU of 4d5p by Molmil](/molmil-images/mine/4d5p) | Hypocrea jecorina cellobiohydrolase Cel7A E217Q soaked with xylopentaose. | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ... | 著者 | Momeni, M.H, Ubhayasekera, W, Stahlberg, J, Hansson, H. | 登録日 | 2014-11-07 | 公開日 | 2015-03-25 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Structural Insights Into the Inhibition of Cellobiohydrolase Cel7A by Xylooligosaccharides. FEBS J., 282, 2015
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6TN6
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![BU of 6tn6 by Molmil](/molmil-images/mine/6tn6) | X-ray structure of the endo-beta-1,4-mannanase from Thermotoga petrophila | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | da Silva, V.M, Squina, F.M, Sperenca, M, Martin, L, Muniz, J.R.C, Garcia, W, Nicolet, Y. | 登録日 | 2019-12-06 | 公開日 | 2020-04-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | High-resolution structure of a modular hyperthermostable endo-beta-1,4-mannanase from Thermotoga petrophila: The ancillary immunoglobulin-like module is a thermostabilizing domain. Biochim Biophys Acta Proteins Proteom, 1868, 2020
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3I0R
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![BU of 3i0r by Molmil](/molmil-images/mine/3i0r) | crystal structure of HIV reverse transcriptase in complex with inhibitor 3 | 分子名称: | Reverse transcriptase/ribonuclease H, S-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6-methyl-3,4-dihydroquinoline-1(2H)-carbothioate, p51 RT | 著者 | Yan, Y, Prasad, S. | 登録日 | 2009-06-25 | 公開日 | 2009-08-25 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.98 Å) | 主引用文献 | Substituted tetrahydroquinolines as potent allosteric inhibitors of reverse transcriptase and its key mutants. Bioorg.Med.Chem.Lett., 19, 2009
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6BKY
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![BU of 6bky by Molmil](/molmil-images/mine/6bky) | Novel Binding Modes of Inhibition of Wild-Type IDH1: Allosteric Inhibition with Cmpd2 | 分子名称: | (2S)-2-hydroxybutanedioic acid, 4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZOL-2-ONE, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | 著者 | Jakob, C.G, Qiu, W. | 登録日 | 2017-11-09 | 公開日 | 2018-07-25 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315. J. Med. Chem., 61, 2018
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6BL1
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![BU of 6bl1 by Molmil](/molmil-images/mine/6bl1) | Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd13 | 分子名称: | (6aS,7S,9S,10aS)-7-methyl-8-oxo-10a-phenyl-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile, CALCIUM ION, ISOCITRIC ACID, ... | 著者 | Jakob, C.G, Qiu, W. | 登録日 | 2017-11-09 | 公開日 | 2018-07-25 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315. J. Med. Chem., 61, 2018
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6BKZ
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![BU of 6bkz by Molmil](/molmil-images/mine/6bkz) | Novel Modes of Inhibition of Wild-Type IDH1: Non-equivalent Allosteric Inhibition with Cmpd3 | 分子名称: | (7R)-1-[(4-fluorophenyl)methyl]-N-{3-[(1R)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Jakob, C.G, Qiu, W. | 登録日 | 2017-11-09 | 公開日 | 2018-07-25 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315. J. Med. Chem., 61, 2018
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6BKX
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![BU of 6bkx by Molmil](/molmil-images/mine/6bkx) | Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd1 | 分子名称: | (6aS,7S,9R,10aS)-7,10a-dimethyl-8-oxo-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile, CALCIUM ION, ISOCITRIC ACID, ... | 著者 | Jakob, C.G, Qiu, W. | 登録日 | 2017-11-09 | 公開日 | 2018-07-25 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315. J. Med. Chem., 61, 2018
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3EJ1
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![BU of 3ej1 by Molmil](/molmil-images/mine/3ej1) | CDK2/CyclinA complexed with a pyrazolopyridazine inhibitor | 分子名称: | Cell division protein kinase 2, Cyclin-A2, N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine | 著者 | Stevens, K, Reno, M, Alberti, J, Price, D, Kane-Carson, L, Knick, V, Shewchuk, L, Hassell, A, Veal, J, Peel, M. | 登録日 | 2008-09-17 | 公開日 | 2008-10-21 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (3.22 Å) | 主引用文献 | Synthesis and evaluation of pyrazolo[1,5-b]pyridazines as selective cyclin dependent kinase inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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3C6U
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![BU of 3c6u by Molmil](/molmil-images/mine/3c6u) | Crystal Structure of HIV Reverse Transcriptase in complex with inhibitor 22 | 分子名称: | 3-chloro-5-[2-chloro-5-(1H-indazol-3-ylmethoxy)phenoxy]benzonitrile, Reverse transcriptase | 著者 | Yan, Y, Prasad, S. | 登録日 | 2008-02-05 | 公開日 | 2008-04-22 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | The design and synthesis of diaryl ether second generation HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) with enhanced potency versus key clinical mutations. Bioorg.Med.Chem.Lett., 18, 2008
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3C6T
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![BU of 3c6t by Molmil](/molmil-images/mine/3c6t) | Crystal Structure of HIV Reverse Transcriptase in complex with inhibitor 14 | 分子名称: | 2-[3-chloro-5-(3-chloro-5-cyanophenoxy)phenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide, Reverse transcriptase | 著者 | Yan, Y, Prasad, S. | 登録日 | 2008-02-05 | 公開日 | 2008-04-22 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | The design and synthesis of diaryl ether second generation HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) with enhanced potency versus key clinical mutations. Bioorg.Med.Chem.Lett., 18, 2008
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8UJY
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![BU of 8ujy by Molmil](/molmil-images/mine/8ujy) | Crystal structure of human WD repeat-containing protein 5 in complex with 4-(3,5-dimethoxybenzyl)-9-(4-fluoro-2-methylphenyl)-7-((2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl)methyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one (compound 8) | 分子名称: | (9P)-4-[(3,5-dimethoxyphenyl)methyl]-9-(4-fluoro-2-methylphenyl)-7-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-3,4-dihydro-1,4-benzoxazepin-5(2H)-one, WD repeat-containing protein 5 | 著者 | Zhao, B, Amporndanai, K, Fesik, S.W. | 登録日 | 2023-10-11 | 公開日 | 2023-12-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Structure-Based Discovery of Potent, Orally Bioavailable Benzoxazepinone-Based WD Repeat Domain 5 Inhibitors. J.Med.Chem., 66, 2023
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2RGF
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![BU of 2rgf by Molmil](/molmil-images/mine/2rgf) | RBD OF RAL GUANOSINE-NUCLEOTIDE EXCHANGE FACTOR (PROTEIN), NMR, 10 STRUCTURES | 分子名称: | RALGEF-RBD | 著者 | Geyer, M, Herrmann, C, Wittinghofer, A, Kalbitzer, H.R. | 登録日 | 1997-02-13 | 公開日 | 1998-03-04 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure of the Ras-binding domain of RalGEF and implications for Ras binding and signalling. Nat.Struct.Biol., 4, 1997
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3DRP
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![BU of 3drp by Molmil](/molmil-images/mine/3drp) | HIV reverse transcriptase in complex with inhibitor R8e | 分子名称: | 3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile, Reverse transcriptase/ribonuclease H, p51 RT | 著者 | Yan, Y, Prasad, S. | 登録日 | 2008-07-11 | 公開日 | 2008-10-14 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Discovery of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridine-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile (MK-4965): A Potent, Orally Bioavailable HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitor with Improved Potency against Key Mutant Viruses. J.Med.Chem., 51, 2008
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3DRR
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![BU of 3drr by Molmil](/molmil-images/mine/3drr) | HIV reverse transcriptase Y181C mutant in complex with inhibitor R8e | 分子名称: | 3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile, Reverse transcriptase/ribonuclease H, p51 RT | 著者 | Yan, Y. | 登録日 | 2008-07-11 | 公開日 | 2008-10-14 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | 主引用文献 | Discovery of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridine-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile (MK-4965): A Potent, Orally Bioavailable HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitor with Improved Potency against Key Mutant Viruses. J.Med.Chem., 51, 2008
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3DRS
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![BU of 3drs by Molmil](/molmil-images/mine/3drs) | HIV reverse transcriptase K103N mutant in complex with inhibitor R8D | 分子名称: | 3-chloro-5-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile, Reverse transcriptase/ribonuclease H, p66 RT | 著者 | Yan, Y, Prasad, S. | 登録日 | 2008-07-11 | 公開日 | 2008-10-14 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | Discovery of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridine-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile (MK-4965): A Potent, Orally Bioavailable HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitor with Improved Potency against Key Mutant Viruses. J.Med.Chem., 51, 2008
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6HA4
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![BU of 6ha4 by Molmil](/molmil-images/mine/6ha4) | Crystal structure of PAF - p-sulfonatocalix[4]arene complex | 分子名称: | 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid, GLYCEROL, Pc24g00380 protein | 著者 | Alex, J.M, Rennie, M, Engilberge, S, Batta, G, Crowley, P.B. | 登録日 | 2018-08-07 | 公開日 | 2019-02-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Calixarene-mediated assembly of a small antifungal protein. Iucrj, 6, 2019
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6HAH
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![BU of 6hah by Molmil](/molmil-images/mine/6hah) | Crystal structure of PAF - p-sulfonatocalix[6]arene complex | 分子名称: | 2-[2-(2-ethoxyethoxy)ethoxy]ethanol, GLYCEROL, Pc24g00380 protein, ... | 著者 | Alex, J.M, Rennie, M, Engilberge, S, Batta, G, Crowley, P.B. | 登録日 | 2018-08-07 | 公開日 | 2019-02-13 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Calixarene-mediated assembly of a small antifungal protein. Iucrj, 6, 2019
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1COL
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![BU of 1col by Molmil](/molmil-images/mine/1col) | REFINED STRUCTURE OF THE PORE-FORMING DOMAIN OF COLICIN A AT 2.4 ANGSTROMS RESOLUTION | 分子名称: | COLICIN A | 著者 | Parker, M.W, Postma, J.P.M, Pattus, F, Tucker, A.D, Tsernoglou, D. | 登録日 | 1991-07-06 | 公開日 | 1992-07-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Refined structure of the pore-forming domain of colicin A at 2.4 A resolution. J.Mol.Biol., 224, 1992
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6HAJ
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![BU of 6haj by Molmil](/molmil-images/mine/6haj) | Crystal structure of PAF - p-sulfonatocalix[8]arene complex | 分子名称: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Pc24g00380 protein, sulfonato-calix[8]arene | 著者 | Alex, J.M, Rennie, M, Engilberge, S, Batta, G, Crowley, P.B. | 登録日 | 2018-08-07 | 公開日 | 2019-02-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Calixarene-mediated assembly of a small antifungal protein. Iucrj, 6, 2019
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4LP7
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![BU of 4lp7 by Molmil](/molmil-images/mine/4lp7) | |
2BIC
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![BU of 2bic by Molmil](/molmil-images/mine/2bic) | The solution structure of the recombinant elicitor protein PcF from the oomycete pathogen P. cactorum | 分子名称: | PHYTOTOXIC PROTEIN PCF | 著者 | Nicastro, G, Orsomando, G, Desario, F, Ferrari, E, Manconi, L, Spisni, A, Ruggieri, S. | 登録日 | 2005-01-20 | 公開日 | 2006-06-28 | 最終更新日 | 2020-01-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution Structure of the Phytotoxic Protein Pcf: The First Characterized Member of the Phytophthora Pcf Toxin Family. Protein Sci., 18, 2009
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3NMJ
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![BU of 3nmj by Molmil](/molmil-images/mine/3nmj) | Crystal structure of a nickel mediated dimer for the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 | 分子名称: | N-1,10-phenanthrolin-5-ylacetamide, NICKEL (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Radford, R.J, Tezcan, F.A. | 登録日 | 2010-06-22 | 公開日 | 2010-11-24 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Porous protein frameworks with unsaturated metal centers in sterically encumbered coordination sites. Chem.Commun.(Camb.), 47, 2011
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3NMI
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![BU of 3nmi by Molmil](/molmil-images/mine/3nmi) | Crystal structure of the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 | 分子名称: | ACETATE ION, N-1,10-phenanthrolin-5-ylacetamide, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Radford, R.J, Tezcan, F.A. | 登録日 | 2010-06-22 | 公開日 | 2010-11-24 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Porous protein frameworks with unsaturated metal centers in sterically encumbered coordination sites. Chem.Commun.(Camb.), 47, 2011
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6GG0
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![BU of 6gg0 by Molmil](/molmil-images/mine/6gg0) | |