6HMG
 
 | | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-glucosamine) | | Descriptor: | (1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ... | | Authors: | Sobala, L.F, Lu, D, Zhu, S, Bernardo-Seisdedos, G, Millet, O, Zhang, Y, Sollogoub, M, Jimenez-Barbero, J, Davies, G.J. | | Deposit date: | 2018-09-12 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | From 1,4-Disaccharide to 1,3-Glycosyl Carbasugar: Synthesis of a Bespoke Inhibitor of Family GH99 Endo-alpha-mannosidase.
Org.Lett., 20, 2018
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5XS5
 | | Structure of Coxsackievirus A6 (CVA6) virus procapsid particle | | Descriptor: | Genome polyprotein | | Authors: | Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Cheng, T, Li, S.W. | | Deposit date: | 2017-06-12 | | Release date: | 2017-09-27 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody
Nat Commun, 8, 2017
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1QU3
 | | INSIGHTS INTO EDITING FROM AN ILE-TRNA SYNTHETASE STRUCTURE WITH TRNA(ILE) AND MUPIROCIN | | Descriptor: | ISOLEUCYL-TRNA, ISOLEUCYL-TRNA SYNTHETASE, MUPIROCIN, ... | | Authors: | Silvian, L.F, Wang, J, Steitz, T.A. | | Deposit date: | 1999-07-06 | | Release date: | 1999-08-31 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Insights into editing from an ile-tRNA synthetase structure with tRNAile and mupirocin.
Science, 285, 1999
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1O1G
 | | MOLECULAR MODELS OF AVERAGED RIGOR CROSSBRIDGES FROM TOMOGRAMS OF INSECT FLIGHT MUSCLE | | Descriptor: | SKELETAL MUSCLE ACTIN, SKELETAL MUSCLE MYOSIN II, SKELETAL MUSCLE MYOSIN II ESSENTIAL LIGHT CHAIN, ... | | Authors: | Chen, L.F, Winkler, H, Reedy, M.K, Reedy, M.C, Taylor, K.A. | | Deposit date: | 2002-11-19 | | Release date: | 2002-12-11 | | Last modified: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (70 Å) | | Cite: | Molecular modeling of averaged rigor crossbridges from tomograms of insect flight muscle.
J.Struct.Biol., 138, 2002
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1FOK
 | | STRUCTURE OF RESTRICTION ENDONUCLEASE FOKI BOUND TO DNA | | Descriptor: | DNA (5'-D(*AP*TP*GP*AP*CP*TP*AP*GP*CP*GP*TP*TP*AP*TP*CP*AP*T P*CP*CP*G)-3'), DNA (5'-D(*TP*CP*GP*GP*AP*TP*GP*AP*TP*AP*AP*CP*GP*CP*TP*AP*G P*TP*CP*A)-3'), PROTEIN (FOKI RESTRICTION ENDONUCLEASE) | | Authors: | Aggarwal, D.A, Wah, J.A, Hirsch, L.F, Dorner, I, Schildkraut, A.K. | | Deposit date: | 1997-04-18 | | Release date: | 1997-12-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of the multimodular endonuclease FokI bound to DNA.
Nature, 388, 1997
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6GVH
 | | Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-4-chloro-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylamine | | Descriptor: | 5-(6-azanyl-4-chloranyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Ouvry, G, Aurelly, M, Bonnary, L, Borde, E, Bouix-Peter, C, Chantalat, L, Clary, L, Defoin-Platel, C, Deret, S, Forissier, M, Harris, C.S, Isabet, T, Lamy, L, Luzy, A.P, Pascau, J, Soulet, C, Taddei, A, Taquet, N, Tomas, L, Thoreau, E, Varvier, E, Vial, E, Hennequin, L.F. | | Deposit date: | 2018-06-21 | | Release date: | 2019-10-02 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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6GVI
 | | Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine | | Descriptor: | 3-(2-azanyl-1,3-benzoxazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidine-4,6-diamine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Ouvry, G, Aurelly, M, Bonnary, L, Borde, E, Bouix-Peter, C, Chantalat, L, Clary, L, Defoin-Platel, C, Deret, S, Forissier, M, Harris, C.S, Isabet, T, Lamy, L, Luzy, A.P, Pascau, J, Soulet, C, Taddei, A, Taquet, N, Tomas, L, Thoreau, E, Varvier, E, Vial, E, Hennequin, L.F. | | Deposit date: | 2018-06-21 | | Release date: | 2019-10-02 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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1IA4
 | | Candida albicans dihydrofolate reductase complex in which the dihydronicotinamide moiety of dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) is displaced by 5-{[4-(4-MORPHOLINYL)PHENYL]SULFANYL}-2,4-QUINAZOLINEDIAMIN (GW2021) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(4-MORPHOLIN-4-YL-PHENYLSULFANYL)-2,4-QUINAZOLINEDIAMINE, DIHYDROFOLATE REDUCTASE, ... | | Authors: | Whitlow, M, Howard, A.J, Kuyper, L.F. | | Deposit date: | 2001-03-22 | | Release date: | 2001-04-11 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | X-ray Crystal Structures of Candida albicans Dihydrofolate Reductase: High Resolution Ternary Complexes in Which the Dihydronicotinamide Moiety of NADPH is Displaced by an inhibitor
J.Med.Chem., 44, 2001
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1IA3
 | | Candida albicans dihydrofolate reductase complex in which the dihydronicotinamide moiety of dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) is displaced by 5-[(4-TERT-BUTYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE (GW995) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[4-TERT-BUTYLPHENYLSULFANYL]-2,4-QUINAZOLINEDIAMINE, DIHYDROFOLATE REDUCTASE, ... | | Authors: | Whitlow, M, Howard, A.J, Kuyper, L.F. | | Deposit date: | 2001-03-22 | | Release date: | 2001-04-11 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | X-ray Crystal Structures of Candida albicans Dihydrofolate Reductase: High Resolution Ternary Complexes in Which the Dihydronicotinamide Moiety of NADPH is Displaced by an inhibitor
J.Med.Chem., 44, 2001
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5XS7
 | | Structure of Coxsackievirus A6 (CVA6) virus A-particle in complex with the neutralizing antibody fragment 1D5 | | Descriptor: | Genome polyprotein, Heavy chain of Fab 1D5, Light chain of Fab 1D5 | | Authors: | Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Li, S.W, Cheng, T. | | Deposit date: | 2017-06-12 | | Release date: | 2017-09-27 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody
Nat Commun, 8, 2017
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7EIN
 | | SARS-CoV-2 main proteinase complex with microbial metabolite leupeptin | | Descriptor: | 3C-like proteinase, leupeptin | | Authors: | Fu, L.F, Feng, Y, Qi, J.X, Gao, G.F. | | Deposit date: | 2021-03-31 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mechanism of Microbial Metabolite Leupeptin in the Treatment of COVID-19 by Traditional Chinese Medicine Herbs.
Mbio, 12, 2021
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7DXM
 | | Crystal structure of DltD | | Descriptor: | Protein DltD, SULFATE ION | | Authors: | Yan, X.X, Zeng, Q, Tian, L.F. | | Deposit date: | 2021-01-19 | | Release date: | 2021-07-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | Crystal Structure of an O-acyltransfer Terminal Protein stDltD and Its Implications for dlt Operon-mediated D-alanylation of S. thermophilus.
Prog.Biochem.Biophys., 48, 2022
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3K54
 | | Structures of human Bruton's tyrosine kinase in active and inactive conformations suggests a mechanism of activation for TEC family kinases. | | Descriptor: | N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Tyrosine-protein kinase BTK | | Authors: | Marcotte, D.J, Liu, Y.-T, Arduini, R.M, Hession, C.A, Miatkowski, K, Wildes, C.P, Cullen, P.F, Hopkins, B.T, Mertsching, E, Jenkins, T.J, Romanowski, M.J, Baker, D.P, Silvian, L.F. | | Deposit date: | 2009-10-06 | | Release date: | 2010-01-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structures of human Bruton's tyrosine kinase in active and inactive conformations suggest a mechanism of activation for TEC family kinases.
Protein Sci., 19, 2010
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7CWW
 | | Crystal structure of TsrL | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol, TsrE | | Authors: | Li, Y, Pan, L.F. | | Deposit date: | 2020-08-31 | | Release date: | 2021-09-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | crystal structure of TsrL
To Be Published
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1QU2
 | | INSIGHTS INTO EDITING FROM AN ILE-TRNA SYNTHETASE STRUCTURE WITH TRNA(ILE) AND MUPIROCIN | | Descriptor: | ISOLEUCYL-TRNA, ISOLEUCYL-TRNA SYNTHETASE, MAGNESIUM ION, ... | | Authors: | Silvian, L.F, Wang, J, Steitz, T.A. | | Deposit date: | 1999-07-06 | | Release date: | 1999-08-31 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Insights into editing from an ile-tRNA synthetase structure with tRNAile and mupirocin.
Science, 285, 1999
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6GVG
 | | Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-1-isopropyl-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylamine | | Descriptor: | 5-(6-azanyl-4-methyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Ouvry, G, Aurelly, M, Bonnary, L, Borde, E, Bouix-Peter, C, Chantalat, L, Clary, L, Defoin-Platel, C, Deret, S, Forissier, M, Harris, C.S, Isabet, T, Lamy, L, Luzy, A.P, Pascau, J, Soulet, C, Taddei, A, Taquet, N, Tomas, L, Thoreau, E, Varvier, E, Vial, E, Hennequin, L.F. | | Deposit date: | 2018-06-21 | | Release date: | 2019-10-02 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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1QTQ
 | | GLUTAMINYL-TRNA SYNTHETASE COMPLEXED WITH TRNA AND AN AMINO ACID ANALOG | | Descriptor: | 5'-O-[N-(L-GLUTAMINYL)-SULFAMOYL]ADENOSINE, PROTEIN (GLUTAMINYL-TRNA SYNTHETASE), RNA (TRNA GLN II ), ... | | Authors: | Rath, V.L, Silvian, L.F, Beijer, B, Sproat, B.S, Steitz, T.A. | | Deposit date: | 1998-01-28 | | Release date: | 1998-05-27 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | How glutaminyl-tRNA synthetase selects glutamine.
Structure, 6, 1998
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7E6Q
 | | Crystal structure of influenza A virus neuraminidase N5 complexed with 4'-phenyl-1,2,3-triazolylated oseltamivir carboxylate | | Descriptor: | (3R,4R,5S)-4-acetamido-3-pentan-3-yloxy-5-(4-phenyl-1,2,3-triazol-1-yl)cyclohexene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Wang, P.F, Babayemi, O.O, Li, C.N, Fu, L.F, Zhang, S.S, Qi, J.X, Lv, X, Li, X.B. | | Deposit date: | 2021-02-23 | | Release date: | 2021-03-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-based design of 5'-substituted 1,2,3-triazolylated oseltamivir derivatives as potent influenza neuraminidase inhibitors.
Rsc Adv, 11, 2021
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1IA1
 | | Candida albicans dihydrofolate reductase complexed with dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) and 5-(PHENYLSULFANYL)-2,4-QUINAZOLINEDIAMINE (GW997) | | Descriptor: | 5-PHENYLSULFANYL-2,4-QUINAZOLINEDIAMINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Whitlow, M, Howard, A.J, Kuyper, L.F. | | Deposit date: | 2001-03-22 | | Release date: | 2001-04-11 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | X-ray Crystal Structures of Candida albicans Dihydrofolate Reductase: High Resolution Ternary Complexes in Which the Dihydronicotinamide Moiety of NADPH is Displaced by an inhibitor
J.Med.Chem., 44, 2001
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1IA2
 | | Candida albicans dihydrofolate reductase complexed with dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) and 5-[(4-METHYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE (GW578) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[(4-METHYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE, DIHYDROFOLATE REDUCTASE, ... | | Authors: | Whitlow, M, Howard, A.J, Kuyper, L.F. | | Deposit date: | 2001-03-22 | | Release date: | 2001-04-11 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | X-ray Crystal Structures of Candida albicans Dihydrofolate Reductase: High Resolution Ternary Complexes in Which the Dihydronicotinamide Moiety of NADPH is Displaced by an inhibitor
J.Med.Chem., 44, 2001
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8EYW
 | | Beetroot dimer bound to ThT | | Descriptor: | 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium, POTASSIUM ION, RNA (49-MER) | | Authors: | Passalacqua, L.F.M, Ferre-D'Amare, A.R. | | Deposit date: | 2022-10-28 | | Release date: | 2023-05-31 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Co-crystal structures of the fluorogenic aptamer Beetroot show that close homology may not predict similar RNA architecture.
Nat Commun, 14, 2023
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1RUZ
 | | 1918 H1 Hemagglutinin | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, hemagglutinin | | Authors: | Skehel, J.J, Gamblin, S.J, Haire, L.F, Russell, R.J, Stevens, D.J, Xiao, B, Ha, Y, Vasisht, N, Steinhauer, D.A, Daniels, R.S. | | Deposit date: | 2003-12-12 | | Release date: | 2004-03-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The structure and receptor binding properties of the 1918 influenza hemagglutinin.
Science, 303, 2004
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8EYU
 | | Structure of Beetroot dimer bound to DFAME | | Descriptor: | POTASSIUM ION, RNA (49-MER), methyl (2E)-3-{(4Z)-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}prop-2-enoate | | Authors: | Passalacqua, L.F.M, Ferre-D'Amare, A.R. | | Deposit date: | 2022-10-28 | | Release date: | 2023-05-31 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Co-crystal structures of the fluorogenic aptamer Beetroot show that close homology may not predict similar RNA architecture.
Nat Commun, 14, 2023
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5XS4
 | | Structure of Coxsackievirus A6 (CVA6) virus A-particle | | Descriptor: | Genome polyprotein | | Authors: | Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Li, S.W, Cheng, T. | | Deposit date: | 2017-06-12 | | Release date: | 2017-09-27 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody
Nat Commun, 8, 2017
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6FWL
 | | Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex alpha-Glc-1,3-(1,2-anhydro-carba-mannose) | | Descriptor: | (1~{S},2~{S},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ... | | Authors: | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | | Deposit date: | 2018-03-06 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
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