7QKN
 
 | | Crystal structure of YTHDF1 YTH domain in complex with the ebsulfur derivative compound 7 | | Descriptor: | 1,2-ETHANEDIOL, THIOCYANATE ION, YTH domain-containing family protein 1, ... | | Authors: | Dalle Vedove, A, Cazzanelli, G, Quattrone, A, Provenzani, A, Lolli, G. | | Deposit date: | 2021-12-18 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Small-Molecule Ebselen Binds to YTHDF Proteins Interfering with the Recognition of N 6 -Methyladenosine-Modified RNAs.
Acs Pharmacol Transl Sci, 5, 2022
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7QL7
 | | Crystal structure of YTHDF1 YTH domain in complex with the ebsulfur derivative compound 9 | | Descriptor: | 1,2-ETHANEDIOL, THIOCYANATE ION, YTH domain-containing family protein 1, ... | | Authors: | Dalle Vedove, A, Cazzanelli, G, Quattrone, A, Provenzani, A, Lolli, G. | | Deposit date: | 2021-12-19 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Small-Molecule Ebselen Binds to YTHDF Proteins Interfering with the Recognition of N 6 -Methyladenosine-Modified RNAs.
Acs Pharmacol Transl Sci, 5, 2022
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6FIW
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6FIS
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6FIR
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6FIU
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6FXH
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6O5K
 | | Murine TRIM28 Bbox1 domain | | Descriptor: | Transcription intermediary factor 1-beta, ZINC ION | | Authors: | Sun, Y, Keown, J.R, Goldstone, D.C. | | Deposit date: | 2019-03-03 | | Release date: | 2019-06-19 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Dissection of Oligomerization by the TRIM28 Tripartite Motif and the Interaction with Members of the Krab-ZFP Family.
J.Mol.Biol., 431, 2019
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6WAA
 | | K. pneumoniae Topoisomerase IV (ParE-ParC) in complex with DNA and compound 34 (7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one, CHLORIDE ION, ... | | Authors: | Noeske, J, Shu, W, Bellamacina, C. | | Deposit date: | 2020-03-24 | | Release date: | 2020-07-15 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Topoisomerase Inhibitors Addressing Fluoroquinolone Resistance in Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
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6XWE
 | | Crystal structure of LYK3 ectodomain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETONITRILE, LysM domain receptor-like kinase 3, ... | | Authors: | Gysel, K, Blaise, M, Andersen, K.R. | | Deposit date: | 2020-01-23 | | Release date: | 2020-08-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Ligand-recognizing motifs in plant LysM receptors are major determinants of specificity.
Science, 369, 2020
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2FDO
 | | Crystal Structure of the Conserved Protein of Unknown Function AF2331 from Archaeoglobus fulgidus DSM 4304 Reveals a New Type of Alpha/Beta Fold | | Descriptor: | Hypothetical protein AF2331 | | Authors: | Wang, S, Kirillova, O, Chruszcz, M, Cymborowski, M.T, Skarina, T, Gorodichtchenskaia, E, Savchenko, A, Edwards, A.M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2005-12-14 | | Release date: | 2006-01-31 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The crystal structure of the AF2331 protein from Archaeoglobus fulgidus DSM 4304 forms an unusual interdigitated dimer with a new type of alpha + beta fold.
Protein Sci., 18, 2009
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3LFS
 | | Crystal structure of CDK2 with SAR37, an aminoindazole type inhibitor | | Descriptor: | Cell division protein kinase 2, N-(6-chloro-5-phenyl-1H-indazol-3-yl)butanamide | | Authors: | Dreyer, M.K, Wendt, K.U, Schimanski-Breves, S, Loenze, P. | | Deposit date: | 2010-01-18 | | Release date: | 2010-03-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Rational design of potent GSK3beta inhibitors with selectivity for Cdk1 and Cdk2.
Bioorg.Med.Chem.Lett., 20, 2010
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5CR7
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5CQZ
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3LFQ
 | | Crystal structure of CDK2 with SAR60, an aminoindazole type inhibitor | | Descriptor: | Cell division protein kinase 2, N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)butanamide | | Authors: | Dreyer, M.K, Wendt, K.U, Schimanski-Breves, S, Loenze, P. | | Deposit date: | 2010-01-18 | | Release date: | 2010-03-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Rational design of potent GSK3beta inhibitors with selectivity for Cdk1 and Cdk2.
Bioorg.Med.Chem.Lett., 20, 2010
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3LFN
 | | Crystal structure of CDK2 with SAR57, an aminoindazole type inhibitor | | Descriptor: | Cell division protein kinase 2, N-[6-(4-hydroxyphenyl)-5-phenyl-1H-indazol-3-yl]butanamide | | Authors: | Dreyer, M.K, Wendt, K.U, Schimanski-Breves, S, Loenze, P. | | Deposit date: | 2010-01-18 | | Release date: | 2010-03-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Rational design of potent GSK3beta inhibitors with selectivity for Cdk1 and Cdk2.
Bioorg.Med.Chem.Lett., 20, 2010
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3LAU
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8AQT
 | | Beta SARS-CoV-2 Spike bound to mouse ACE2 (local) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2,Ig gamma-2A chain C region, ... | | Authors: | Lau, K, Ni, D, Beckert, B, Nazarov, S, Myasnikov, A, Pojer, F, Stahlberg, H, Uchikawa, E. | | Deposit date: | 2022-08-13 | | Release date: | 2023-03-01 | | Last modified: | 2023-04-19 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Cryo-EM structures and binding of mouse and human ACE2 to SARS-CoV-2 variants of concern indicate that mutations enabling immune escape could expand host range.
Plos Pathog., 19, 2023
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8AQU
 | | BA.1 SARS-CoV-2 Spike bound to mouse ACE2 (local) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2,Ig gamma-2A chain C region, ... | | Authors: | Lau, K, Ni, D, Beckert, B, Nazarov, S, Myasnikov, A, Pojer, F, Stahlberg, H, Uchikawa, E. | | Deposit date: | 2022-08-13 | | Release date: | 2023-03-01 | | Last modified: | 2023-04-19 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | Cryo-EM structures and binding of mouse and human ACE2 to SARS-CoV-2 variants of concern indicate that mutations enabling immune escape could expand host range.
Plos Pathog., 19, 2023
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8AQV
 | | BA.2.12.1 SARS-CoV-2 Spike bound to mouse ACE2 (local) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2,Ig gamma-2A chain C region, ... | | Authors: | Lau, K, Ni, D, Beckert, B, Nazarov, S, Myasnikov, A, Pojer, F, Stahlberg, H, Uchikawa, E. | | Deposit date: | 2022-08-13 | | Release date: | 2023-03-01 | | Last modified: | 2023-04-19 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | Cryo-EM structures and binding of mouse and human ACE2 to SARS-CoV-2 variants of concern indicate that mutations enabling immune escape could expand host range.
Plos Pathog., 19, 2023
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8AQS
 | | BA.4/5 SARS-CoV-2 Spike bound to human ACE2 (local) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein,Fibritin, ... | | Authors: | Lau, K, Ni, D, Beckert, B, Nazarov, S, Myasnikov, A, Pojer, F, Stahlberg, H, Uchikawa, E. | | Deposit date: | 2022-08-13 | | Release date: | 2023-03-01 | | Last modified: | 2023-04-19 | | Method: | ELECTRON MICROSCOPY (2.92 Å) | | Cite: | Cryo-EM structures and binding of mouse and human ACE2 to SARS-CoV-2 variants of concern indicate that mutations enabling immune escape could expand host range.
Plos Pathog., 19, 2023
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2OHP
 | | X-ray crystal structure of beta secretase complexed with compound 3 | | Descriptor: | 6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-2-AMINE, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | | Authors: | Patel, S. | | Deposit date: | 2007-01-10 | | Release date: | 2007-05-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase.
J.Med.Chem., 50, 2007
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7ZSD
 | | cryo-EM structure of omicron spike in complex with de novo designed binder, local | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, de novo designed binder | | Authors: | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | | Deposit date: | 2022-05-06 | | Release date: | 2023-03-01 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
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7ZSS
 | | cryo-EM structure of D614 spike in complex with de novo designed binder | | 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: | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | | Deposit date: | 2022-05-08 | | Release date: | 2023-03-01 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (2.63 Å) | | Cite: | De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
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7ZRV
 | | cryo-EM structure of omicron spike in complex with de novo designed binder, full map | | 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,Envelope glycoprotein, ... | | Authors: | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | | Deposit date: | 2022-05-05 | | Release date: | 2023-03-08 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
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