1VIT
 
 | | THROMBIN:HIRUDIN 51-65 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, ALPHA THROMBIN, ... | | 著者 | Vitali, J, Edwards, B.F.P. | | 登録日 | 1996-01-31 | | 公開日 | 1997-04-21 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structure of a bovine thrombin-hirudin51-65 complex determined by a combination of molecular replacement and graphics. Incorporation of known structural information in molecular replacement.
Acta Crystallogr.,Sect.D, 52, 1996
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2LNC
 | | Solution NMR structure of Norwalk virus protease | | 分子名称: | 3C-like protease | | 著者 | Takahashi, D, Hiromasa, Y, Kim, Y, Anbanandam, A, Chang, K, Prakash, O. | | 登録日 | 2011-12-22 | | 公開日 | 2012-12-26 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural and dynamics characterization of norovirus protease.
Protein Sci., 22, 2013
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8P5R
 | | Crystal structure of full-length, homohexameric 2-oxoglutarate dehydrogenase KGD from Mycobacterium smegmatis in complex with GarA | | 分子名称: | CALCIUM ION, Glycogen accumulation regulator GarA, MAGNESIUM ION, ... | | 著者 | Wagner, T, Mechaly, A.M, Alzari, P.M, Bellinzoni, M. | | 登録日 | 2023-05-24 | | 公開日 | 2023-08-16 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (4.562 Å) | | 主引用文献 | High resolution cryo-EM and crystallographic snapshots of the actinobacterial two-in-one 2-oxoglutarate dehydrogenase.
Nat Commun, 14, 2023
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8OTM
 | | structure of InhA from mycobacterium tuberculosis in complex with N-((1-(3-hydroxy-4-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl)-2-oxo-2H-chromene-3-carboxamide | | 分子名称: | 1,2-ETHANEDIOL, 2-oxidanylidene-~{N}-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methyl]chromene-3-carboxamide, ACETATE ION, ... | | 著者 | Chebaiki, M, Maveyraud, L, Tamhaev, R, Lherbet, C, Mourey, L. | | 登録日 | 2023-04-21 | | 公開日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Discovery of new diaryl ether inhibitors against Mycobacterium tuberculosis targeting the minor portal of InhA.
Eur.J.Med.Chem., 259, 2023
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4KIO
 | | Kinase domain mutant of human Itk in complex with a covalently-binding inhibitor | | 分子名称: | 1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]prop-2-en-1-one, 1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]propan-1-one, GLYCEROL, ... | | 著者 | Somers, D.O. | | 登録日 | 2013-05-02 | | 公開日 | 2013-08-21 | | 最終更新日 | 2014-02-12 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Discovery of novel irreversible inhibitors of interleukin (IL)-2-inducible tyrosine kinase (Itk) by targeting cysteine 442 in the ATP pocket.
J.Biol.Chem., 288, 2013
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8OTN
 | | structure of InhA from mycobacterium tuberculosis in complex with inhibitor 7-((1-(3-Hydroxy-4-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methoxy)-4-methyl-2H-chromen-2-one | | 分子名称: | 4-methyl-7-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methoxy]chromen-2-one, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Chebaiki, M, Maveyraud, L, Tamhaev, R, Lherbet, C, Mourey, L. | | 登録日 | 2023-04-21 | | 公開日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.962 Å) | | 主引用文献 | Discovery of new diaryl ether inhibitors against Mycobacterium tuberculosis targeting the minor portal of InhA.
Eur.J.Med.Chem., 259, 2023
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4KEI
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4KHM
 | | HCV NS5B GT1A with GSK5852 | | 分子名称: | HCV Polymerase, SULFATE ION, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid | | 著者 | Williams, S.P, Kahler, K.M, Shotwell, J.B. | | 登録日 | 2013-04-30 | | 公開日 | 2013-05-15 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
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4KIV
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8OP2
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4KBI
 | | HCV NS5B GT1B N316Y with CMPD 4 | | 分子名称: | 5-cyclopropyl-6-{[(7-fluoro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)methyl](methylsulfonyl)amino}-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide, HCV Polymerase | | 著者 | Williams, S.P, Kahler, K.M, Shotwell, J.B. | | 登録日 | 2013-04-23 | | 公開日 | 2013-05-08 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
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8OOU
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8OP1
 | | Subsection of a helical nucleocapsid of the Respiratory Syncytial Virus | | 分子名称: | Nucleoprotein, RNA (5'-R(P*CP*CP*CP*CP*CP*CP*C)-3') | | 著者 | Gonnin, L, Desfosses, A, Eleouet, J.F, Galloux, M, Gutsche, I. | | 登録日 | 2023-04-06 | | 公開日 | 2023-09-27 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Structural landscape of the respiratory syncytial virus nucleocapsids.
Nat Commun, 14, 2023
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8OTL
 | | structure of InhA from Mycobacterium tuberculosis in complex with 5-(((4-(2-hydroxyphenoxy)benzyl)(octyl)amino)methyl)-2-phenoxyphenol | | 分子名称: | 1,2-ETHANEDIOL, 5-[[octyl-[[4-(2-oxidanylphenoxy)phenyl]methyl]amino]methyl]-2-phenoxy-phenol, ACETATE ION, ... | | 著者 | Tamhaev, R, Maveyraud, L, Chebaiki, M, Lherbet, C, Mourey, L. | | 登録日 | 2023-04-21 | | 公開日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.108 Å) | | 主引用文献 | Exploring the plasticity of the InhA substrate-binding site using new diaryl ether inhibitors.
Bioorg.Chem., 143, 2023
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8P0C
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8P0E
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8OT1
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8OT3
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8OT4
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8P37
 | | Structure a catalytically inactive mutant of the IMP dehydrogenase related protein GUAB3 from Synechocystis PCC 6803 | | 分子名称: | IMP dehydrogenase subunit, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, XANTHOSINE-5'-MONOPHOSPHATE | | 著者 | Hernandez-Gomez, A, Fernandez-Justel, D, Buey, R.M. | | 登録日 | 2023-05-17 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.219 Å) | | 主引用文献 | GuaB3, an overlooked enzyme in cyanobacteria's toolbox that sheds light on IMP dehydrogenase evolution.
Structure, 31, 2023
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4LR2
 | | Crystal Structure of Human ENPP4 (apo) | | 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, Bis(5'-adenosyl)-triphosphatase ENPP4, ... | | 著者 | Albright, R.A, Braddock, D.T. | | 登録日 | 2013-07-19 | | 公開日 | 2013-12-18 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Molecular basis of purinergic signal metabolism by ectonucleotide pyrophosphatase/phosphodiesterases 4 and 1 and implications in stroke.
J.Biol.Chem., 289, 2014
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8OYT
 | | Stabilised BA.1 SARS-CoV-2 spike with H6 nanobodies in '3 up' RBD conformation | | 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, H6 nanobody, ... | | 著者 | Weckener, M, Naismith, J.H, Owens, R.J. | | 登録日 | 2023-05-05 | | 公開日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Structural and functional characterization of nanobodies that neutralize Omicron variants of SARS-CoV-2.
Open Biology, 14, 2024
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4LQU
 | | 1.60A resolution crystal structure of a superfolder green fluorescent protein (W57G) mutant | | 分子名称: | Green fluorescent protein | | 著者 | Lovell, S, Xia, Y, Vo, B, Battaile, K.P, Egan, C, Karanicolas, J. | | 登録日 | 2013-07-19 | | 公開日 | 2013-12-18 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | The designability of protein switches by chemical rescue of structure: mechanisms of inactivation and reactivation.
J.Am.Chem.Soc., 135, 2013
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4M13
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4LPH
 | | Crystal structure of human FPPS in complex with CL03093 | | 分子名称: | ({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl)phosphonic acid, Farnesyl pyrophosphate synthase, PHOSPHATE ION | | 著者 | Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M. | | 登録日 | 2013-07-16 | | 公開日 | 2014-06-25 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Multistage screening reveals chameleon ligands of the human farnesyl pyrophosphate synthase: implications to drug discovery for neurodegenerative diseases.
J.Med.Chem., 57, 2014
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