6YE2
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2BDJ
| Src kinase in complex with inhibitor AP23464 | Descriptor: | 3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}-9H-PURIN-9-YL)ETHYL]PHENOL, Proto-oncogene tyrosine-protein kinase Src | Authors: | Dalgarno, D, Stehle, T, Schelling, P, Narula, S, Sawyer, T. | Deposit date: | 2005-10-20 | Release date: | 2006-10-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of Src tyrosine kinase inhibition with a new class of potent and selective trisubstituted purine-based compounds. Chem.Biol.Drug Des., 67, 2006
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2BDF
| Src kinase in complex with inhibitor AP23451 | Descriptor: | Proto-oncogene tyrosine-protein kinase Src, {[(4-{[2-(4-AMINOCYCLOHEXYL)-9-ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID | Authors: | Dalgarno, D, Stehle, T, Schelling, P, Sawyer, T, Narula, S. | Deposit date: | 2005-10-20 | Release date: | 2006-10-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of Src tyrosine kinase inhibition with a new class of potent and selective trisubstituted purine-based compounds. Chem.Biol.Drug Des., 67, 2006
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5CB0
| Crystal structure and functional implications of the tandem-type universal stress protein UspE from Escherichia coli | Descriptor: | 3-oxotetradecanoic acid, Universal stress protein E | Authors: | Xu, Y, Quan, C.S, Jin, X, Jin, L, Kim, J.S, Guo, J, Fan, S, Ha, N.C. | Deposit date: | 2015-06-30 | Release date: | 2016-02-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.207 Å) | Cite: | Crystal structure and functional implications of the tandem-type universal stress protein UspE from Escherichia coli. Bmc Struct.Biol., 16, 2016
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7YEG
| SARS-CoV-2 Spike (6P) in complex with 3 R1-32 Fabs and 3 ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X. | Deposit date: | 2022-07-05 | Release date: | 2022-08-24 | Last modified: | 2023-07-26 | Method: | ELECTRON MICROSCOPY (3.73 Å) | Cite: | SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope. Nat Microbiol, 7, 2022
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7YDY
| SARS-CoV-2 Spike (6P) in complex with 1 R1-32 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-32 Fab, ... | Authors: | Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X. | Deposit date: | 2022-07-04 | Release date: | 2022-08-24 | Last modified: | 2023-07-26 | Method: | ELECTRON MICROSCOPY (4.75 Å) | Cite: | SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope. Nat Microbiol, 7, 2022
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7YDI
| SARS-CoV-2 Spike (6P) in complex with 3 R1-32 Fabs and 3 ACE2, focused refinement of RBD region | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-32, Light chain of R1-32, ... | Authors: | Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X. | Deposit date: | 2022-07-04 | Release date: | 2022-08-24 | Last modified: | 2023-07-26 | Method: | ELECTRON MICROSCOPY (3.98 Å) | Cite: | SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope. Nat Microbiol, 7, 2022
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7YE5
| SARS-CoV-2 Spike (6P) in complex with 2 R1-32 Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-32 Fab, ... | Authors: | Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X. | Deposit date: | 2022-07-05 | Release date: | 2022-08-24 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (6.75 Å) | Cite: | SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope. Nat Microbiol, 7, 2022
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8H0Z
| Structure of SARS-CoV-1 Spike Protein with Engineered x1 Disulfide (S370C and D967C), Locked-122 Conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | Authors: | Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X. | Deposit date: | 2022-09-30 | Release date: | 2022-11-09 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (2.99 Å) | Cite: | Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes. Life Sci Alliance, 6, 2023
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1Q95
| Aspartate Transcarbamylase (ATCase) of Escherichia coli: A New Crystalline R State Bound to PALA, or to Product Analogues Phosphate and Citrate | Descriptor: | Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, N-(PHOSPHONACETYL)-L-ASPARTIC ACID, ... | Authors: | Huang, J, Lipscomb, W.N. | Deposit date: | 2003-08-22 | Release date: | 2004-06-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Aspartate Transcarbamylase (ATCase) of Escherichia coli: A New Crystalline R-State Bound to PALA, or to Product Analogues Citrate and Phosphate Biochemistry, 43, 2004
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1R0B
| Aspartate Transcarbamylase (ATCase) of Escherichia coli: A New Crystalline R State Bound to PALA, or to Product Analogues Phosphate and Citrate | Descriptor: | Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, CITRATE ANION, ... | Authors: | Huang, J, Lipscomb, W.N. | Deposit date: | 2003-09-19 | Release date: | 2004-06-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Aspartate Transcarbamylase (ATCase) of Escherichia coli: A New Crystalline R-State Bound to PALA, or to Product Analogues Citrate and Phosphate Biochemistry, 43, 2004
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4FGY
| Identification of a unique PPAR ligand with an unexpected binding mode and antibetic activity | Descriptor: | (4R,6S,8S,12R,14R,16Z,18R,19R,20S,21S)-19,21-dihydroxy-22-{(2S,2'R,5S,5'S)-5'-[(1R)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9,11-dioxodocos-16-enoic acid, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma | Authors: | Wang, R, Li, Y. | Deposit date: | 2012-06-05 | Release date: | 2013-03-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Identification of the antibiotic ionomycin as an unexpected peroxisome proliferator-activated receptor Gamma (PPAR-gamma) ligand with a unique binding mode and effective glucose-lowering activity in a mouse model of diabetes. Diabetologia, 56, 2013
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5Y9Q
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5ZN8
| Crystal structure of nicotinamidase PncA from Bacillus subtilis | Descriptor: | Isochorismatase, ZINC ION | Authors: | Shang, F, Chen, J, Wang, L, Xu, Y. | Deposit date: | 2018-04-08 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the nicotinamidase/pyrazinamidase PncA from Bacillus subtilis. Biochem.Biophys.Res.Commun., 503, 2018
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5ZZO
| Crystal structure of CcpE regulatory domain in complex with citrate from Staphyloccocus aureus | Descriptor: | CITRATE ANION, LysR family transcriptional regulator | Authors: | Chen, J, Wang, L, Shang, F, Xu, Y. | Deposit date: | 2018-06-04 | Release date: | 2018-06-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and Biochemical Analysis of the Citrate-Responsive Mechanism of the Regulatory Domain of Catabolite Control Protein E from Staphylococcus aureus Biochemistry, 57, 2018
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6A8L
| Crystal structure of nicotinamidase/ pyrazinamidase PncA from Bacillus subtilis | Descriptor: | Isochorismatase, ZINC ION | Authors: | Shang, F, Chen, J, Wang, L, Xu, Y. | Deposit date: | 2018-07-09 | Release date: | 2018-08-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the nicotinamidase/pyrazinamidase PncA from Bacillus subtilis. Biochem. Biophys. Res. Commun., 503, 2018
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5WZX
| Structural basis for a pentacyclic oleanane-type triterpenoid as a ligand of FXR | Descriptor: | (4aR,6aR,6aS,6bS,8aS,9R,12aR,14bR)-2,2,6a,6b,9,12a-hexamethyl-10-oxidanylidene-1,3,4,5,6,6a,7,8,8a,9,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid, (R,R)-2,3-BUTANEDIOL, Bile acid receptor, ... | Authors: | Lu, Y, Li, Y. | Deposit date: | 2017-01-19 | Release date: | 2018-01-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Identification of an Oleanane-Type Triterpene Hedragonic Acid as a Novel Farnesoid X Receptor Ligand with Liver Protective Effects and Anti-inflammatory Activity Mol. Pharmacol., 93, 2018
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6QKL
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4JSR
| Crystal Structure of human SIRT3 with ELT inhibitor 11c [N-{2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl}-N'-ethylthiophene-2,5-dicarboxamide] | Descriptor: | N-{2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl}-N'-ethylthiophene-2,5-dicarboxamide, NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ... | Authors: | Dai, H. | Deposit date: | 2013-03-22 | Release date: | 2013-04-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of Thieno[3,2-d]pyrimidine-6-carboxamides as Potent Inhibitors of SIRT1, SIRT2, and SIRT3. J.Med.Chem., 56, 2013
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4JT9
| Crystal Structure of human SIRT3 with ELT inhibitor 3 [14-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide] | Descriptor: | 4-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide, GLYCEROL, NAD-dependent protein deacetylase sirtuin-3, ... | Authors: | Dai, H. | Deposit date: | 2013-03-22 | Release date: | 2013-04-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Discovery of Thieno[3,2-d]pyrimidine-6-carboxamides as Potent Inhibitors of SIRT1, SIRT2, and SIRT3. J.Med.Chem., 56, 2013
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4JT8
| Crystal Structure of human SIRT3 with ELT inhibitor 28 [4-(4-{2-[(2,2-dimethylpropanoyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide[ | Descriptor: | 4-(4-{2-[(2,2-dimethylpropanoyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide, NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ... | Authors: | Dai, H. | Deposit date: | 2013-03-22 | Release date: | 2013-04-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Discovery of Thieno[3,2-d]pyrimidine-6-carboxamides as Potent Inhibitors of SIRT1, SIRT2, and SIRT3. J.Med.Chem., 56, 2013
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5T16
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8H15
| Structure of SARS-CoV-1 Spike Protein (S/native) at pH 5.5, Closed Conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X. | Deposit date: | 2022-09-30 | Release date: | 2022-11-09 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.14182 Å) | Cite: | Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes. Life Sci Alliance, 6, 2023
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8H12
| Structure of SARS-CoV-1 Spike Protein with Engineered x2 Disulfide (G400C and V969C), Locked-2 Conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X. | Deposit date: | 2022-09-30 | Release date: | 2022-11-09 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.44681 Å) | Cite: | Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes. Life Sci Alliance, 6, 2023
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8H14
| Structure of SARS-CoV-1 Spike Protein with Engineered x3 Disulfide (D414C and V969C), Locked-1 Conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, Spike glycoprotein | Authors: | Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X. | Deposit date: | 2022-09-30 | Release date: | 2022-10-19 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes. Life Sci Alliance, 6, 2023
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