7U0N
 
 | | Crystal structure of chimeric omicron RBD (strain BA.1) complexed with human ACE2 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Geng, Q, Shi, K, Ye, G, Zhang, W, Aihara, H, Li, F. | | Deposit date: | 2022-02-18 | | Release date: | 2022-03-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Structural Basis for Human Receptor Recognition by SARS-CoV-2 Omicron Variant BA.1.
J.Virol., 96, 2022
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2BDG
 | | Human Kallikrein 4 complex with nickel and p-aminobenzamidine | | Descriptor: | CHLORIDE ION, Kallikrein-4, NICKEL (II) ION, ... | | Authors: | Debela, M, Bode, W, Goettig, P, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2005-10-20 | | Release date: | 2006-10-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structures of human tissue kallikrein 4: activity modulation by a specific zinc binding site.
J.Mol.Biol., 362, 2006
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2X6G
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2X7A
 | | Structural basis of HIV-1 tethering to membranes by the Bst2-tetherin ectodomain | | Descriptor: | BONE MARROW STROMAL ANTIGEN 2, CHLORIDE ION, GLYCEROL, ... | | Authors: | Natrajan, G, McCarthy, A.A, Weissenhorn, W. | | Deposit date: | 2010-02-25 | | Release date: | 2010-04-28 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Structural Basis of HIV-1 Tethering to Membranes by the Bst-2/Tetherin Ectodomain.
Cell Host Microbe, 7, 2010
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2WXV
 | | Structure of CDK2-CYCLIN A with a Pyrazolo(4,3-h) quinazoline-3- carboxamide inhibitor | | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, N,1-DIMETHYL-8-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, ... | | Authors: | Traquandi, G, Ciomei, M, Ballinari, D, Casale, E, Colombo, N, Croci, V, Fiorentini, F, Isacchi, A, Longo, A, Mercurio, C, Panzeri, A, Pastori, W, Pevarello, P, Volpi, D, Roussel, P, Vulpetti, A, Brasca, M.G. | | Deposit date: | 2009-11-10 | | Release date: | 2010-02-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Identification of Potent Pyrazolo[4,3-H]Quinazoline-3-Carboxamides as Multi-Cyclin-Dependent Kinase Inhibitors.
J.Med.Chem., 53, 2010
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1CB5
 | | HUMAN BLEOMYCIN HYDROLASE. | | Descriptor: | BLEOMYCIN HYDROLASE | | Authors: | O'Farrell, P.A, Gonzalez, F, Zheng, W, Johnston, S.A, Joshua-Tor, L. | | Deposit date: | 1999-03-01 | | Release date: | 2000-03-01 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Crystal structure of human bleomycin hydrolase, a self-compartmentalizing cysteine protease.
Structure Fold.Des., 7, 1999
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7TUY
 | | Cryo-EM structure of GSK682753A-bound EBI2/GPR183 | | Descriptor: | 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one, G-protein coupled receptor 183,Soluble cytochrome b562 fusion, anti-BRIL Fab Heavy chain, ... | | Authors: | Chen, H, Huang, W, Li, X. | | Deposit date: | 2022-02-03 | | Release date: | 2022-04-13 | | Last modified: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Structures of oxysterol sensor EBI2/GPR183, a key regulator of the immune response.
Structure, 30, 2022
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2E71
 | | Solution structure of the second FF domain of human transcription factor CA150 | | Descriptor: | Transcription elongation regulator 1 | | Authors: | Tanabe, W, Suzuki, S, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-01-05 | | Release date: | 2007-07-10 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the second FF domain of human transcription factor CA150
To be Published
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2X64
 | | GLUTATHIONE-S-TRANSFERASE FROM XYLELLA FASTIDIOSA | | Descriptor: | CHLORIDE ION, GLUTATHIONE, GLUTATHIONE-S-TRANSFERASE | | Authors: | Muniz, J.R.C, Rodrigues, N.C, Bleicher, L, Travensolo, R.F, Garcia, W. | | Deposit date: | 2010-02-14 | | Release date: | 2010-03-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and Biophysical Characterization of the Recombinant Glutathione-S-Transferase from Xylella
To be Published
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1KD6
 | | Solution structure of the eukaryotic pore-forming cytolysin equinatoxin II | | Descriptor: | EQUINATOXIN II | | Authors: | Hinds, M.G, Zhang, W, Anderluh, G, Hansen, P.E, Norton, R.S. | | Deposit date: | 2001-11-12 | | Release date: | 2002-02-13 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the eukaryotic pore-forming cytolysin equinatoxin II: implications for pore formation.
J.Mol.Biol., 315, 2002
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2E6G
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1DP8
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7TIV
 | | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB48 | | Descriptor: | (1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, MAGNESIUM ION | | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | | Deposit date: | 2022-01-14 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
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7TIY
 | | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-48 | | Descriptor: | (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[(2,4,5-trifluorophenyl)methoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | | Deposit date: | 2022-01-14 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
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2E6C
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7TIU
 | | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB46 | | Descriptor: | (1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, MAGNESIUM ION, ... | | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | | Deposit date: | 2022-01-14 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
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7TIZ
 | | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-63 | | Descriptor: | (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[3-(trifluoromethyl)phenyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | | Deposit date: | 2022-01-14 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
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7TIW
 | | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB54 | | Descriptor: | (1S,2S)-2-[(N-{[(2-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, PHOSPHATE ION | | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | | Deposit date: | 2022-01-14 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
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2UYO
 | | Crystal structure of ML2640c from Mycobacterium leprae in an hexagonal crystal form | | Descriptor: | HYPOTHETICAL PROTEIN ML2640 | | Authors: | Grana, M, Buschiazzo, A, Wehenkel, A, Haouz, A, Miras, I, Shepard, W, Alzari, P.M. | | Deposit date: | 2007-04-11 | | Release date: | 2007-08-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Crystal Structure of M. Leprae Ml2640C Defines a Large Family of Putative S-Adenosylmethionine- Dependent Methyltransferases in Mycobacteria.
Protein Sci., 16, 2007
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2ECU
 | | Crystal structure of flavin reductase component (HpaC) of 4-hydroxyphenylacetate 3-monooxygenase | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, DODECAETHYLENE GLYCOL, flavin reductase (HpaC) of 4-hydroxyphenylacetate 3-monooxygnease | | Authors: | Kim, S.H, Hisano, T, Iwasaki, W, Ebihara, A, Miki, K. | | Deposit date: | 2007-02-14 | | Release date: | 2008-01-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structure of the flavin reductase component (HpaC) of 4-hydroxyphenylacetate 3-monooxygenase from Thermus thermophilus HB8: Structural basis for the flavin affinity
Proteins, 70, 2008
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7TIA
 | | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-14 | | Descriptor: | 3C-like proteinase nsp5, THIOCYANATE ION, benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate | | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | | Deposit date: | 2022-01-13 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
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7TIX
 | | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB56 | | Descriptor: | 3C-like proteinase nsp5, MAGNESIUM ION, N~2~-{[(naphthalen-2-yl)methoxy]carbonyl}-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | | Deposit date: | 2022-01-14 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
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5J3I
 | | NMR solution structure of [Sp, Sp]-PT dsDNA | | Descriptor: | DNA (5'-D(*CP*GP*(SSG)P*CP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*(SSG)P*CP*CP*G)-3') | | Authors: | Lan, W, Hu, Z, Cao, C. | | Deposit date: | 2016-03-30 | | Release date: | 2016-11-16 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural investigation into physiological DNA phosphorothioate modification
Sci Rep, 6, 2016
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2VKV
 | | TetR (BD) variant L17G with reverse phenotype | | Descriptor: | 5A,6-ANHYDROTETRACYCLINE, MAGNESIUM ION, TETRACYCLINE REPRESSOR PROTEIN CLASS B FROM TRANSPOSON TN10, ... | | Authors: | Resch, M, Striegl, H, Henssler, E.M, Sevvana, M, Egerer-Sieber, C, Schiltz, E, Hillen, W, Muller, Y.A. | | Deposit date: | 2008-01-02 | | Release date: | 2008-07-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | A Protein Functional Leap: How a Single Mutation Reverses the Function of the Transcription Regulator Tetr.
Nucleic Acids Res., 36, 2008
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2V8C
 | | Mouse Profilin IIa in complex with the proline-rich domain of VASP | | Descriptor: | GLYCEROL, ISOPROPYL ALCOHOL, PROFILIN-2, ... | | Authors: | Kursula, P, Downer, J, Witke, W, Wilmanns, M. | | Deposit date: | 2007-08-06 | | Release date: | 2007-12-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | High-Resolution Structural Analysis of Mammalian Profilin 2A Complex Formation with Two Physiological Ligands: The Formin Homology 1 Domain of Mdia1 and the Proline-Rich Domain of Vasp.
J.Mol.Biol., 375, 2008
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