5DIK
 
 | | Crystal structure of apo-lpg0406, a carboxymuconolactone decarboxylase family protein from Legionella pneumophila | | Descriptor: | Alkyl hydroperoxide reductase AhpD | | Authors: | Chen, X, Gong, X, Zhang, N, Ge, H. | | Deposit date: | 2015-09-01 | | Release date: | 2015-10-14 | | Last modified: | 2016-01-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of lpg0406, a carboxymuconolactone decarboxylase family protein possibly involved in antioxidative response from Legionella pneumophila
Protein Sci., 24, 2015
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5DIP
 | | Crystal structure of lpg0406 in reduced form from Legionella pneumophila | | Descriptor: | Alkyl hydroperoxide reductase AhpD, GLYCEROL, SODIUM ION | | Authors: | Chen, X, Gong, X, Zhang, N, Ge, H. | | Deposit date: | 2015-09-01 | | Release date: | 2015-10-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.097 Å) | | Cite: | Structure of lpg0406, a carboxymuconolactone decarboxylase family protein possibly involved in antioxidative response from Legionella pneumophila
Protein Sci., 24, 2015
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6S68
 | | Structure of the Fluorescent Protein AausFP2 from Aequorea cf. australis at pH 7.6 | | Descriptor: | Aequorea cf. australis fluorescent protein 2 (AausFP2) | | Authors: | Depernet, H, Gotthard, G, Lambert, G.G, Shaner, N.C, Royant, A. | | Deposit date: | 2019-07-02 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Aequorea's secrets revealed: New fluorescent proteins with unique properties for bioimaging and biosensing.
Plos Biol., 18, 2020
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5EBG
 | | Crystal structure of bovine CD8aa homodimer | | Descriptor: | T-cell surface glycoprotein CD8 alpha chain | | Authors: | Liu, Y, Li, X, Zhang, N, Qi, J, Xia, C. | | Deposit date: | 2015-10-19 | | Release date: | 2016-09-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The structural basis of chicken, swine and bovine CD8 alpha alpha dimers provides insight into the co-evolution with MHC I in endotherm species.
Sci Rep, 6, 2016
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3PWU
 | | An immmunodominant CTL epitope from rinderpest virus presented by cattle MHC class I molecule N*01801(BoLA-A11) | | Descriptor: | Beta-2-microglobulin, IPA from Hemagglutinin glycoprotein, MHC class I antigen | | Authors: | Li, X, Liu, J, Qi, J, Gao, F, Li, Q, Li, X, Zhang, N, Xia, C, Gao, G.F. | | Deposit date: | 2010-12-09 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.899 Å) | | Cite: | Two distinct conformations of a rinderpest virus epitope presented by bovine major histocompatibility complex class I N*01801: a host strategy to present featured peptides
J.Virol., 85, 2011
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3Q3J
 | | Crystal structure of plexin A2 RBD in complex with Rnd1 | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Plexin-A2, ... | | Authors: | Wang, H, Tempel, W, Tong, Y, Guan, X, Shen, L, Buren, L, Zhang, N, Wernimont, A.K, Crombet, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-12-21 | | Release date: | 2011-01-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.971 Å) | | Cite: | Crystal structure of plexin A2 RBD in complex with Rnd1
to be published
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6KSQ
 | | Middle Domain of Human HSP90 Alpha | | Descriptor: | Heat shock protein HSP 90-alpha | | Authors: | Su, H.X, Zhou, C, Zhang, N.X, Xu, Y.C. | | Deposit date: | 2019-08-25 | | Release date: | 2020-02-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.202 Å) | | Cite: | Allosteric Regulation of Hsp90 alpha's Activity by Small Molecules Targeting the Middle Domain of the Chaperone.
Iscience, 23, 2020
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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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7BV3
 | | Crystal structure of a ugt transferase from Siraitia grosvenorii in complex with UDP | | Descriptor: | Glycosyltransferase, URIDINE-5'-DIPHOSPHATE | | Authors: | Li, J, Shan, N, Yang, J.G, Liu, W.D, Sun, Y.X. | | Deposit date: | 2020-04-09 | | Release date: | 2021-03-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Near-perfect control of the regioselective glucosylation enabled by rational design of glycosyltransferases
Green Synth Catal, 2021
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5EDX
 | | Crystal structure of swine CD8aa homodimer | | Descriptor: | CD8 alpha antigen | | Authors: | Liu, Y.J, Qi, J.X, Zhang, N.Z, Xia, C. | | Deposit date: | 2015-10-22 | | Release date: | 2016-09-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | The structural basis of chicken, swine and bovine CD8 alpha alpha dimers provides insight into the co-evolution with MHC I in endotherm species.
Sci Rep, 6, 2016
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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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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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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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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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5H5Z
 | | Crystal structure of bony fish MHC class I, peptide and B2m II | | Descriptor: | Beta-2-microglobulin, MHC class I antigen, peptide chain | | Authors: | Chen, Z, Zhang, N, Qi, J, Li, X, Chen, R, Wang, Z, Gao, F.G, Xia, C. | | Deposit date: | 2016-11-10 | | Release date: | 2017-11-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | The Mechanism of beta 2m Molecule-Induced Changes in the Peptide Presentation Profile in a Bony Fish.
Iscience, 23, 2020
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6DXK
 | | Glucocorticoid Receptor in complex with Compound 11 | | Descriptor: | (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-(3,3-dimethylbut-1-yn-1-yl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name), Glucocorticoid receptor | | Authors: | Rew, Y, Du, X, Eksterowicz, J, Zhou, H, Jahchan, N, Zhu, L, Yan, X, Kawai, H, McGee, L.R, Medina, J.C, Huang, T, Chen, C, Zavorotinskaya, T, Sutimantanapi, D, Waszczuk, J, Jackson, E, Huang, E, Ye, Q, Fantin, V.R, Daqing, S. | | Deposit date: | 2018-06-29 | | Release date: | 2018-10-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Discovery of a Potent and Selective Steroidal Glucocorticoid Receptor Antagonist (ORIC-101).
J. Med. Chem., 61, 2018
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6KYU
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6X8B
 | | Self-assembly of a 3D DNA crystal lattice (4x5 duplex version) containing the J6 immobile Holliday junction | | Descriptor: | CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*AP*AP*GP*AP*CP*TP*TP*CP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*GP*A)-3'), ... | | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | | Deposit date: | 2020-06-01 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.899 Å) | | Cite: | The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
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6X8C
 | | Self-assembly of a 3D DNA crystal lattice (4x5 junction version) containing the J1 immobile Holliday junction | | Descriptor: | CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*G)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*GP*TP*GP*GP*TP*CP*TP*GP*C)-3'), ... | | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | | Deposit date: | 2020-06-01 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.098 Å) | | Cite: | The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
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6XDV
 | | Self-assembly of a 3D DNA crystal lattice (4x5 junction version) containing the J3 immobile Holliday junction | | Descriptor: | CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*GP*TP*G)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*GP*GP*CP*GP*TP*CP*TP*GP*C)-3'), ... | | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | | Deposit date: | 2020-06-11 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.003 Å) | | Cite: | The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
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6XDX
 | | Self-assembly of a 3D DNA crystal lattice (4x5 junction version) containing the J6 immobile Holliday junction | | Descriptor: | CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*AP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*GP*AP*TP*GP*TP*CP*TP*GP*C)-3'), ... | | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | | Deposit date: | 2020-06-11 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.899 Å) | | Cite: | The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
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6XDW
 | | Self-assembly of a 3D DNA crystal lattice (4x5 junction version) containing the J5 immobile Holliday junction | | Descriptor: | CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*CP*G)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*GP*CP*GP*GP*TP*CP*TP*GP*C)-3'), ... | | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | | Deposit date: | 2020-06-11 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.148 Å) | | Cite: | The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
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6XEM
 | | Self-assembly of a 3D DNA crystal lattice (4x5 junction version) containing the J16 immobile Holliday junction | | Descriptor: | CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*GP*TP*G)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*GP*GP*CP*GP*TP*CP*TP*GP*C)-3'), ... | | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | | Deposit date: | 2020-06-12 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.055 Å) | | Cite: | The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
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