8J3A
 
 | | Crystal structure of SARS-Cov-2 main protease Y54C mutant in complex with PF00835231 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Authors: | Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J. | | Deposit date: | 2023-04-16 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Crystal structure of SARS-Cov-2 main protease
Y54C mutant in complex with PF00835231
To Be Published
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8J32
 | | Crystal structure of SARS-Cov-2 main protease in complex with PF00835231 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Authors: | Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J. | | Deposit date: | 2023-04-16 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Crystal structure of SARS-Cov-2 main protease in complex with PF00835231
To Be Published
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8J38
 | | Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with PF00835231 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Authors: | Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J. | | Deposit date: | 2023-04-16 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Crystal structure of SARS-Cov-2 main protease
P132H mutant in complex with PF00835231
To Be Published
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8J34
 | | Crystal structure of MERS main protease in complex with PF00835231 | | Descriptor: | N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, ORF1a | | Authors: | Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J. | | Deposit date: | 2023-04-16 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of MERS main protease in complex with PF00835231
To Be Published
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8J3B
 | | Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with PF00835231 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Authors: | Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J. | | Deposit date: | 2023-04-16 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal structure of SARS-Cov-2 main protease
S46F mutant in complex with PF00835231
To Be Published
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8J39
 | | Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with PF00835231 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Authors: | Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J. | | Deposit date: | 2023-04-16 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Crystal structure of SARS-Cov-2 main protease
V186F mutant in complex with PF00835231
To Be Published
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4N41
 | | Structure of Thermus thermophilus Argonaute bound to guide DNA and 15-mer target DNA | | Descriptor: | 5'-D(*AP*AP*CP*CP*TP*AP*CP*TP*GP*CP*CP*TP*CP*G)-3', 5'-D(P*AP*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3', 5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*T*GP*TP*AP*TP*AP*GP*T)-3', ... | | Authors: | Sheng, G, Zhao, H, Wang, J, Rao, Y, Wang, Y. | | Deposit date: | 2013-10-08 | | Release date: | 2014-01-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.248 Å) | | Cite: | Structure-based cleavage mechanism of Thermus thermophilus Argonaute DNA guide strand-mediated DNA target cleavage.
Proc.Natl.Acad.Sci.USA, 111, 2014
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8J36
 | | Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with PF00835231 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Authors: | Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J. | | Deposit date: | 2023-04-16 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Crystal structure of SARS-Cov-2 main protease
M49I mutant in complex with PF00835231
To Be Published
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3ZDA
 | | Structure of E. coli ExoIX in complex with a fragment of the Flap1 DNA oligonucleotide, potassium and magnesium | | Descriptor: | 5'-D(*AP*AP*GP*CP*GP*CP)-3', 5'-D(*GP*CP*GP*CP)-3', MAGNESIUM ION, ... | | Authors: | Hemsworth, G.R, Anstey-Gilbert, C.S, Flemming, C.S, Hodskinson, M.R.G, Zhang, J, Sedelnikova, S.E, Stillman, T.J, Sayers, J.R, Artymiuk, P.J. | | Deposit date: | 2012-11-26 | | Release date: | 2013-07-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Structure of E. Coli Exoix - Implications for DNA Binding and Catalysis in Flap Endonucleases
Nucleic Acids Res., 41, 2013
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2PZY
 | | Structure of MK2 Complexed with Compound 76 | | Descriptor: | (4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-6-CARBOXAMIDE, MAP kinase-activated protein kinase 2, STAUROSPORINE | | Authors: | White, A, Wu, J.P, Wang, J, Abeywardane, A, Andersen, D, Emmanuel, M, Gautschi, E, Goldberg, D.R, Kashem, M.A, Lukas, S, Mao, W, Martin, L, Morwick, T, Moss, N, Pargellis, C, Patel, U.R, Patnaude, L, Peet, G.W, Skow, D, Snow, R.J, Ward, Y, Werneburg, B. | | Deposit date: | 2007-05-18 | | Release date: | 2007-07-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The discovery of carboline analogs as potent MAPKAP-K2 inhibitors
Bioorg.Med.Chem.Lett., 17, 2007
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4LQD
 | | The crystal structures of the Brucella protein TcpB and the TLR adaptor protein TIRAP show structural differences in microbial TIR mimicry | | Descriptor: | GLYCEROL, Toll/interleukin-1 receptor domain-containing adapter protein | | Authors: | Snyder, G.A, Smith, P, Jiang, J, Xiao, T.S. | | Deposit date: | 2013-07-17 | | Release date: | 2013-12-04 | | Last modified: | 2014-04-09 | | Method: | X-RAY DIFFRACTION (2.451 Å) | | Cite: | Crystal structures of the Toll/Interleukin-1 receptor (TIR) domains from the Brucella protein TcpB and host adaptor TIRAP reveal mechanisms of molecular mimicry.
J.Biol.Chem., 289, 2014
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3ZKO
 | | The structure of ''breathing'' dengue virus. | | Descriptor: | ENVELOPE GLYCOPROTEIN | | Authors: | Fibriansah, G, Ng, T.S, Kostyuchenko, V.A, Lee, S, Wang, J, Lok, S.M. | | Deposit date: | 2013-01-24 | | Release date: | 2013-05-15 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (13.7 Å) | | Cite: | Structural Changes of Dengue Virus When Exposed to 37 Degrees C.
J.Virol., 87, 2013
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4DDL
 | | PDE10a Crystal Structure Complexed with Novel Inhibitor | | Descriptor: | 2-{1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methylpyridin-2-yl]piperidin-4-yl}propan-2-ol, SULFATE ION, ZINC ION, ... | | Authors: | Chmait, S, Jordan, S, Zhang, J. | | Deposit date: | 2012-01-18 | | Release date: | 2012-03-21 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Discovery of potent, selective, and metabolically stable 4-(pyridin-3-yl)cinnolines as novel phosphodiesterase 10A (PDE10A) inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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3P22
 | | Crystal structure of the ENE, a viral RNA stability element, in complex with A9 RNA | | Descriptor: | Core ENE hairpin from KSHV PAN RNA, oligo(A)9 RNA | | Authors: | Mitton-Fry, R.M, DeGregorio, S.J, Wang, J, Steitz, T.A, Steitz, J.A. | | Deposit date: | 2010-10-01 | | Release date: | 2010-12-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Poly(A) tail recognition by a viral RNA element through assembly of a triple helix.
Science, 330, 2010
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7WAF
 | | Trichodesmium erythraeum cyanophycin synthetase 1 (TeCphA1) with ATPgammaS and 4x(beta-Asp-Arg) | | Descriptor: | 4x(beta-Asp-Arg), ARGININE, Cyanophycin synthase, ... | | Authors: | Miyakawa, T, Yang, J, Kawasaki, M, Adachi, N, Fujii, A, Miyauchi, Y, Muramatsu, T, Moriya, T, Senda, T, Tanokura, M. | | Deposit date: | 2021-12-14 | | Release date: | 2022-09-07 | | Last modified: | 2022-09-14 | | Method: | ELECTRON MICROSCOPY (2.52 Å) | | Cite: | Structural bases for aspartate recognition and polymerization efficiency of cyanobacterial cyanophycin synthetase.
Nat Commun, 13, 2022
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8JMM
 | | Structure of XBB spike protein (S) dimer-trimer in complex with bispecific antibody G7-Fc at 3.75 Angstroms resolution. | | Descriptor: | 7F3 Fv, GW01 Fv, Spike glycoprotein | | Authors: | Hao, A, Mao, Q, Chen, Z, Huang, J, Sun, L. | | Deposit date: | 2023-06-05 | | Release date: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.75 Å) | | Cite: | Structure of XBB spike protein (S) dimer-trimer in complex with bispecific antibody G7-Fc at 3.75 Angstroms resolution.
To Be Published
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7WAC
 | | Trichodesmium erythraeum cyanophycin synthetase 1 (TeCphA1) | | Descriptor: | Cyanophycin synthase | | Authors: | Kawasaki, M, Miyakawa, T, Yang, J, Adachi, N, Fujii, A, Miyauchi, Y, Muramatsu, T, Moriya, T, Senda, T, Tanokura, M. | | Deposit date: | 2021-12-14 | | Release date: | 2022-09-07 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.91 Å) | | Cite: | Structural bases for aspartate recognition and polymerization efficiency of cyanobacterial cyanophycin synthetase.
Nat Commun, 13, 2022
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7WAD
 | | Trichodesmium erythraeum cyanophycin synthetase 1 (TeCphA1) with ATPgammaS | | Descriptor: | Cyanophycin synthase, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | | Authors: | Kawasaki, M, Miyakawa, T, Yang, J, Adachi, N, Fujii, A, Miyauchi, Y, Muramatsu, T, Moriya, T, Senda, T, Tanokura, M. | | Deposit date: | 2021-12-14 | | Release date: | 2022-09-07 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | Structural bases for aspartate recognition and polymerization efficiency of cyanobacterial cyanophycin synthetase.
Nat Commun, 13, 2022
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7WAE
 | | Trichodesmium erythraeum cyanophycin synthetase 1 (TeCphA1) with ATPgammaS, 4x(beta-Asp-Arg), and aspartate | | Descriptor: | 4x(beta-Asp-Arg), ARGININE, ASPARTIC ACID, ... | | Authors: | Miyakawa, T, Yang, J, Kawasaki, M, Adachi, N, Fujii, A, Miyauchi, Y, Muramatsu, T, Moriya, T, Senda, T, Tanokura, M. | | Deposit date: | 2021-12-14 | | Release date: | 2022-09-07 | | Last modified: | 2022-09-14 | | Method: | ELECTRON MICROSCOPY (2.64 Å) | | Cite: | Structural bases for aspartate recognition and polymerization efficiency of cyanobacterial cyanophycin synthetase.
Nat Commun, 13, 2022
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4N47
 | | Structure of Thermus thermophilus Argonaute bound to guide DNA and 12-mer target DNA | | Descriptor: | 5'-D(*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3', 5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*TP*AP*GP*T)-3', Argonaute, ... | | Authors: | Sheng, G, Zhao, H, Wang, J, Rao, Y, Wang, Y. | | Deposit date: | 2013-10-08 | | Release date: | 2014-01-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.823 Å) | | Cite: | Structure-based cleavage mechanism of Thermus thermophilus Argonaute DNA guide strand-mediated DNA target cleavage.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4KPY
 | | DNA binding protein and DNA complex structure | | Descriptor: | DNA (5'-D(*TP*AP*TP*AP*CP*AP*AP*CP*C)-3'), DNA (5'-D(P*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3'), DNA (5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*TP*AP*GP*T)-3'), ... | | Authors: | Sheng, G, Zhao, H, Wang, J, Rao, Y, Wang, Y. | | Deposit date: | 2013-05-14 | | Release date: | 2014-01-29 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.406 Å) | | Cite: | Structure-based cleavage mechanism of Thermus thermophilus Argonaute DNA guide strand-mediated DNA target cleavage.
Proc.Natl.Acad.Sci.USA, 111, 2014
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3TKZ
 | | Structure of the SHP-2 N-SH2 domain in a 1:2 complex with RVIpYFVPLNR peptide | | Descriptor: | PROTEIN (RVIpYFVPLNR peptide), Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Zhang, Y, Zhang, J, Yuan, C, Hard, R.L, Park, I.H, Li, C, Bell, C.E, Pei, D. | | Deposit date: | 2011-08-29 | | Release date: | 2011-10-26 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Simultaneous binding of two peptidyl ligands by a SRC homology 2 domain.
Biochemistry, 50, 2011
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4E9B
 | | Structure of Peptide Deformylase form Helicobacter Pylori in complex with actinonin | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACTINONIN, COBALT (II) ION, ... | | Authors: | Cui, K, Zhu, L, Lu, W, Huang, J. | | Deposit date: | 2012-03-20 | | Release date: | 2013-04-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Identification of Novel Peptide Deformylase Inhibitors from Natural Products
To be Published
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3TL0
 | | Structure of SHP2 N-SH2 domain in complex with RLNpYAQLWHR peptide | | Descriptor: | RLNpYAQLWHR peptide, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Zhang, Y, Zhang, J, Yuan, C, Hard, R.L, Park, I.H, Li, C, Bell, C.E, Pei, D. | | Deposit date: | 2011-08-29 | | Release date: | 2011-09-28 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Simultaneous binding of two peptidyl ligands by a SRC homology 2 domain.
Biochemistry, 50, 2011
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7F42
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