6NEP
 
 | | Structure of human PACRG-MEIG1 complex | | Descriptor: | CHLORIDE ION, Meiosis expressed gene 1 protein homolog, PHOSPHATE ION, ... | | Authors: | Khan, N, Croteau, N, Pelletier, D, Veyron, S, Trempe, J.F. | | Deposit date: | 2018-12-18 | | Release date: | 2019-10-23 | | Last modified: | 2020-01-08 | | Method: | X-RAY DIFFRACTION (2.097625 Å) | | Cite: | Crystal structure of human PACRG in complex with MEIG1
Biorxiv, 2019
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6NDU
 | | Structure of human PACRG-MEIG1 complex | | Descriptor: | CHLORIDE ION, Meiosis expressed gene 1 protein homolog, PHOSPHATE ION, ... | | Authors: | Khan, N, Croteau, N, Pelletier, D, Veyron, S, Trempe, J.F. | | Deposit date: | 2018-12-14 | | Release date: | 2019-10-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of human PACRG in complex with MEIG1
Biorxiv, 2019
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6UCC
 | | Structure of human PACRG-MEIG1 complex (limited proteolysis) | | Descriptor: | DI(HYDROXYETHYL)ETHER, Meiosis expressed gene 1 protein homolog, PHOSPHATE ION, ... | | Authors: | Khan, N, Croteau, N, Pelletier, D, Veyron, S, Trempe, J.F. | | Deposit date: | 2019-09-16 | | Release date: | 2019-10-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of human PACRG in complex with MEIG1
Biorxiv, 2019
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7KS0
 | | GluK2/K5 with 6-Cyano-7-nitroquinoxaline-2,3-dione (CNQX) | | Descriptor: | Glutamate receptor ionotropic, kainate 2, kainate 5,Green fluorescent protein chimera | | Authors: | Khanra, N, Brown, P.M.G.E, Perozzo, A.M, Bowie, D, Meyerson, J.R. | | Deposit date: | 2020-11-20 | | Release date: | 2021-03-24 | | Last modified: | 2021-07-07 | | Method: | ELECTRON MICROSCOPY (5.3 Å) | | Cite: | Architecture and structural dynamics of the heteromeric GluK2/K5 kainate receptor.
Elife, 10, 2021
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7KS3
 | | GluK2/K5 with L-Glu | | Descriptor: | Glutamate receptor ionotropic, kainate 2, kainate 5,Green fluorescent protein chimera | | Authors: | Khanra, N, Brown, P.M.G.E, Perozzo, A.M, Bowie, D, Meyerson, J.R. | | Deposit date: | 2020-11-20 | | Release date: | 2021-03-24 | | Last modified: | 2021-07-07 | | Method: | ELECTRON MICROSCOPY (5.8 Å) | | Cite: | Architecture and structural dynamics of the heteromeric GluK2/K5 kainate receptor.
Elife, 10, 2021
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6NUI
 | | Human Guanylate Kinase | | Descriptor: | Guanylate kinase | | Authors: | Sabo, T.M, Khan, N, Ban, D, Trigo-Mourino, P, Carneiro, M.G, Trent, J.O, Konrad, M, Lee, D. | | Deposit date: | 2019-02-01 | | Release date: | 2019-06-26 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure and functional investigation of human guanylate kinase reveals allosteric networking and a crucial role for the enzyme in cancer.
J.Biol.Chem., 294, 2019
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1O9K
 | | Crystal structure of the retinoblastoma tumour suppressor protein bound to E2F peptide | | Descriptor: | RETINOBLASTOMA-ASSOCIATED PROTEIN, TRANSCRIPTION FACTOR E2F1 | | Authors: | Xiao, B, Spencer, J, Clements, A, Ali-Khan, N, Mittnacht, S, Broceno, C, Burghammer, M, Perrakis, A, Marmorstein, R, Gamblin, S.J. | | Deposit date: | 2002-12-16 | | Release date: | 2003-03-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of the Retinoblastoma Tumor Suppressor Protein Bound to E2F and the Molecular Basis of its Regulation
Proc.Natl.Acad.Sci.USA, 100, 2003
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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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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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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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7TJ0
 | | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor SL-4-241 | | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ACETATE 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, 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 (2.17 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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5KP0
 | | Recognition and targeting mechanisms by chaperones in flagella assembly and operation | | Descriptor: | Flagellar protein FliT,Flagellum-specific ATP synthase | | Authors: | Khanra, N.K, Rossi, P, Economou, A, Kalodimos, C.G. | | Deposit date: | 2016-07-01 | | Release date: | 2016-08-17 | | Last modified: | 2022-03-23 | | Method: | SOLUTION NMR | | Cite: | Recognition and targeting mechanisms by chaperones in flagellum assembly and operation.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5KS6
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5KRW
 | | Recognition and targeting mechanisms by chaperones in flagella assembly and operation | | Descriptor: | Flagellar protein FliT,Flagellar hook-associated protein 2 fusion | | Authors: | Khanra, N.K, Rossi, P, Economou, A, Kalodimos, C.G. | | Deposit date: | 2016-07-07 | | Release date: | 2016-08-17 | | Last modified: | 2022-03-23 | | Method: | SOLUTION NMR | | Cite: | Recognition and targeting mechanisms by chaperones in flagellum assembly and operation.
Proc.Natl.Acad.Sci.USA, 113, 2016
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8AIN
 | | MCUGI SAUNG complex | | Descriptor: | 1,2-ETHANEDIOL, MCUGI, SULFATE ION, ... | | Authors: | Muselmani, W, Savva, R. | | Deposit date: | 2022-07-26 | | Release date: | 2023-06-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A Multimodal Approach towards Genomic Identification of Protein Inhibitors of Uracil-DNA Glycosylase.
Viruses, 15, 2023
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8AIM
 | | Ugi-2 SAUNG complex | | Descriptor: | Uracil-DNA glycosylase, Uracil-DNA glycosylase inhibitor | | Authors: | Muselmani, W, Savva, R. | | Deposit date: | 2022-07-26 | | Release date: | 2023-06-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A Multimodal Approach towards Genomic Identification of Protein Inhibitors of Uracil-DNA Glycosylase.
Viruses, 15, 2023
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8AIL
 | | Bacillus phage VMY22 p56 in complex with Bacillus weidmannii Ung | | Descriptor: | Bacillus phage VMY22 p56, GLYCEROL, IODIDE ION, ... | | Authors: | Muselmani, W, Bagneris, C, Savva, R. | | Deposit date: | 2022-07-26 | | Release date: | 2023-06-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | A Multimodal Approach towards Genomic Identification of Protein Inhibitors of Uracil-DNA Glycosylase.
Viruses, 15, 2023
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2NWB
 | | Crystal Structure of a Putative 2,3-dioxygenase (SO4414) from Shewanella oneidensis in complex with ferric heme. Northeast Structural Genomics Target SoR52. | | Descriptor: | Conserved domain protein, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Forouhar, F, Anderson, J.L.R, Mowat, C.G, Hussain, A, Seetharaman, J, Bruckmann, C, Thackray, S.J, Khan, N, Cunningham, K, Janjua, H, Zhao, L, Xiao, R, Ma, L.C, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Champman, S.K, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-11-14 | | Release date: | 2006-12-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular insights into substrate recognition and catalysis by tryptophan 2,3-dioxygenase.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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7LVT
 | | Structure of full-length GluK1 with L-Glu | | Descriptor: | Isoform Glur5-2 of Glutamate receptor ionotropic, kainate 1 | | Authors: | Meyerson, J.R, Selvakumar, P. | | Deposit date: | 2021-02-26 | | Release date: | 2021-11-03 | | Last modified: | 2021-11-10 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Structural and compositional diversity in the kainate receptor family.
Cell Rep, 37, 2021
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8DFL
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7SSY
 | | Structure of human Kv1.3 (alternate conformation) | | Descriptor: | POTASSIUM ION, Potassium voltage-gated channel subfamily A member 3,Green fluorescent protein fusion | | Authors: | Meyerson, J.R, Selvakumar, P. | | Deposit date: | 2021-11-11 | | Release date: | 2022-06-29 | | Last modified: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Structures of the T cell potassium channel Kv1.3 with immunoglobulin modulators.
Nat Commun, 13, 2022
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