5M18
| Crystal structure of PBP2a from MRSA in the presence of Cefepime ligand | Descriptor: | CADMIUM ION, Penicillin-binding protein 2, beta-muramic acid | Authors: | Molina, R, Batuecas, M.T, Hermoso, J.A. | Deposit date: | 2016-10-07 | Release date: | 2017-02-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis. J. Am. Chem. Soc., 139, 2017
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5M19
| Crystal structure of PBP2a from MRSA in the presence of Oxacillin ligand | Descriptor: | CADMIUM ION, Penicillin-binding protein 2, beta-muramic acid | Authors: | Molina, R, Batuecas, M.T, Hermoso, J.A. | Deposit date: | 2016-10-07 | Release date: | 2017-02-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis. J. Am. Chem. Soc., 139, 2017
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8P4X
| FAD_ox bound dark state structure of PdLCry | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, Putative light-receptive cryptochrome (Fragment) | Authors: | Behrmann, E, Behrmann, H. | Deposit date: | 2023-05-23 | Release date: | 2023-11-08 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.57 Å) | Cite: | A marine cryptochrome with an inverse photo-oligomerization mechanism. Nat Commun, 14, 2023
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5M1A
| Crystal structure of PBP2a from MRSA in the presence of Ceftazidime ligand | Descriptor: | CADMIUM ION, Penicillin-binding protein 2, beta-muramic acid | Authors: | Molina, R, Batuecas, M.T, Hermoso, J.A. | Deposit date: | 2016-10-07 | Release date: | 2017-02-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis. J. Am. Chem. Soc., 139, 2017
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3I91
| Crystal structure of human chromobox homolog 8 (CBX8) with H3K9 peptide | Descriptor: | Chromobox protein homolog 8, H3K9 peptide | Authors: | Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-07-10 | Release date: | 2009-09-08 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Recognition and specificity determinants of the human cbx chromodomains. J.Biol.Chem., 286, 2011
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5HJP
| Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease | Descriptor: | 2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide, DI(HYDROXYETHYL)ETHER, Oxysterols receptor LXR-beta, ... | Authors: | Parthasarathy, G, Klein, D. | Deposit date: | 2016-01-13 | Release date: | 2016-04-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identification and in Vivo Evaluation of Liver X Receptor beta-Selective Agonists for the Potential Treatment of Alzheimer's Disease. J.Med.Chem., 59, 2016
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6DK9
| Yeast Ddi2 Cyanamide Hydratase | Descriptor: | DNA damage-inducible protein, SULFATE ION, ZINC ION | Authors: | Moore, S.A, Xiao, W, Li, J. | Deposit date: | 2018-05-29 | Release date: | 2019-05-08 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of Ddi2, a highly inducible detoxifying metalloenzyme fromSaccharomyces cerevisiae. J.Biol.Chem., 294, 2019
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3I90
| Crystal structure of human chromobox homolog 6 (CBX6) with H3K27 peptide | Descriptor: | Chromobox protein homolog 6, H3K27 peptide | Authors: | Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-07-10 | Release date: | 2009-09-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Recognition and specificity determinants of the human cbx chromodomains. J.Biol.Chem., 286, 2011
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6DKA
| Yeast Ddi2 Cyanamide Hydratase | Descriptor: | CYANAMIDE, DNA damage-inducible protein, SULFATE ION, ... | Authors: | Moore, S.A, Xiao, W, Li, J. | Deposit date: | 2018-05-29 | Release date: | 2019-05-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.901 Å) | Cite: | Structure of Ddi2, a highly inducible detoxifying metalloenzyme fromSaccharomyces cerevisiae. J.Biol.Chem., 294, 2019
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3FDT
| Crystal structure of the complex of human chromobox homolog 5 (CBX5) with H3K9(me)3 peptide | Descriptor: | Chromobox protein homolog 5, H3K9(me)3 peptide | Authors: | Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-11-26 | Release date: | 2009-01-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Recognition and specificity determinants of the human cbx chromodomains. J.Biol.Chem., 286, 2011
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3FFS
| The Crystal Structure of Cryptosporidium parvum Inosine-5'-Monophosphate Dehydrogenase | Descriptor: | Inosine-5-monophosphate dehydrogenase | Authors: | Riera, T.V, D'Aquino, J.A, Lu, J, Petsko, G.A, Hedstrom, L. | Deposit date: | 2008-12-04 | Release date: | 2009-12-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | The structural basis of Cryptosporidium -specific IMP dehydrogenase inhibitor selectivity J.Am.Chem.Soc., 132, 2010
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5ELX
| S. cerevisiae Dbp5 bound to RNA and mant-ADP BeF3 | Descriptor: | ATP-dependent RNA helicase DBP5, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ... | Authors: | Merchant, M.K, Modis, Y. | Deposit date: | 2015-11-05 | Release date: | 2016-02-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Pi Release Limits the Intrinsic and RNA-Stimulated ATPase Cycles of DEAD-Box Protein 5 (Dbp5). J.Mol.Biol., 428, 2016
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5HJS
| Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease | Descriptor: | 2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide, Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, ... | Authors: | Parthasarathy, G, Klein, D. | Deposit date: | 2016-01-13 | Release date: | 2016-04-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Identification and in Vivo Evaluation of Liver X Receptor beta-Selective Agonists for the Potential Treatment of Alzheimer's Disease. J.Med.Chem., 59, 2016
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6DKC
| Yeast Ddi2 Cyanamide Hydratase, T157V mutant, apo structure | Descriptor: | DNA damage-inducible protein, SULFATE ION, ZINC ION | Authors: | Moore, S.A, Xiao, W, Li, J. | Deposit date: | 2018-05-29 | Release date: | 2019-05-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of Ddi2, a highly inducible detoxifying metalloenzyme fromSaccharomyces cerevisiae. J.Biol.Chem., 294, 2019
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7EEI
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3H91
| Crystal structure of the complex of human chromobox homolog 2 (CBX2) and H3K27 peptide | Descriptor: | Chromobox protein homolog 2, H3K27 peptide | Authors: | Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-04-29 | Release date: | 2009-08-18 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Recognition and specificity determinants of the human cbx chromodomains. J.Biol.Chem., 286, 2011
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4JOA
| Crystal Structure of Human Anaplastic Lymphoma Kinase in complex with 7-azaindole based inhibitor | Descriptor: | 3-[1-(2,5-difluorobenzyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, ALK tyrosine kinase receptor | Authors: | Hosahalli, S, Krishnamurthy, N.R, Lakshminarasimhan, A. | Deposit date: | 2013-03-18 | Release date: | 2013-07-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of 7-azaindole based anaplastic lymphoma kinase (ALK) inhibitors: wild type and mutant (L1196M) active compounds with unique binding mode Bioorg.Med.Chem.Lett., 23, 2013
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8Q0P
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6EHO
| Dimer of the Sortilin Vps10p domain at low pH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sortilin, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Thirup, S.S, Quistgaard, E.H, Januliene, D, Andersen, J.L, Nielsen, J.A. | Deposit date: | 2017-09-14 | Release date: | 2017-12-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Acidic Environment Induces Dimerization and Ligand Binding Site Collapse in the Vps10p Domain of Sortilin. Structure, 25, 2017
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1D3D
| CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH BENZOTHIOPHENE INHIBITOR 4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(3-BROMO-4-PYRROLIDIN-1-YLMETHYL-BENZYL)-2-[4-PYRROLIDIN-1-YL-ETHOXY)-PHENYL]-BENZO[B]THIOPHEN-6-OL, ALPHA-THROMBIN, ... | Authors: | Chirgadze, N.Y. | Deposit date: | 1999-09-29 | Release date: | 2000-10-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | The crystal structures of human alpha-thrombin complexed with active site-directed diamino benzo[b]thiophene derivatives: a binding mode for a structurally novel class of inhibitors Protein Sci., 9, 2000
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1D3P
| CRYSTAL STRUCTURE OF HUMAN APLHA-THROMBIN IN COMPLEX WITH BENZO[B]THIOPHENE INHIBITOR 3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-BENZYL]-2-4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL] -BENZO[B]THIOPHEN-6-OL, ALPHA-THROMBIN, ... | Authors: | Chirgadze, N.Y. | Deposit date: | 1999-09-30 | Release date: | 2000-10-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The crystal structures of human alpha-thrombin complexed with active site-directed diamino benzo[b]thiophene derivatives: a binding mode for a structurally novel class of inhibitors. Protein Sci., 9, 2000
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1D3T
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3STQ
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7WFC
| X-ray structure of HKU1-PLP2(Cys109Ser) catalytic mutant in complex with free ubiquitin | Descriptor: | 1,2-ETHANEDIOL, 60S ribosomal protein L40, Papain-like protease, ... | Authors: | Xiong, Y.X, Fu, Z.Y, Huang, H. | Deposit date: | 2021-12-26 | Release date: | 2022-12-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The substrate selectivity of papain-like proteases from human-infecting coronaviruses correlates with innate immune suppression. Sci.Signal., 16, 2023
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7CT5
| S protein of SARS-CoV-2 in complex bound with T-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: | Guo, L, Bi, W.W, Zhang, Y.Y, Yan, R.H, Li, Y.N, Zhou, Q, Dang, B.B. | Deposit date: | 2020-08-18 | Release date: | 2020-11-18 | Last modified: | 2021-02-10 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Engineered trimeric ACE2 binds viral spike protein and locks it in "Three-up" conformation to potently inhibit SARS-CoV-2 infection. Cell Res., 31, 2021
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