1P2F
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![BU of 1p2f by Molmil](/molmil-images/mine/1p2f) | |
4H86
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![BU of 4h86 by Molmil](/molmil-images/mine/4h86) | Crystal structure of Ahp1 from Saccharomyces cerevisiae in reduced form | Descriptor: | Peroxiredoxin type-2 | Authors: | Liu, M, Wang, F, Qiu, R, Wu, T, Gu, S, Tang, R, Ji, C. | Deposit date: | 2012-09-21 | Release date: | 2012-10-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.004 Å) | Cite: | Crystal structure of Ahp1 from Saccharomyces cerevisiae in reduced form To be Published
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4GXP
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![BU of 4gxp by Molmil](/molmil-images/mine/4gxp) | Chimeric Family 1 beta-glucosidase made with non-contiguous SCHEMA | Descriptor: | Beta-glucosidase Chimeric protein | Authors: | Smith, M.A, Romero, P.A, Wu, T, Brustad, E.M, Arnold, F.H. | Deposit date: | 2012-09-04 | Release date: | 2013-01-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Chimeragenesis of distantly-related proteins by noncontiguous recombination. Protein Sci., 22, 2013
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8GYT
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![BU of 8gyt by Molmil](/molmil-images/mine/8gyt) | Cryo-EM structure of human Pannexin-3 R36S/F40R variant in pre-open state. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Pannexin-3 | Authors: | Cong, Y, Jin, X, Kong, F, Wu, T, Yan, C. | Deposit date: | 2022-09-23 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.68 Å) | Cite: | Inner channel lipids regulated gating mechanism of human pannexins. To Be Published
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2PK4
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![BU of 2pk4 by Molmil](/molmil-images/mine/2pk4) | |
8I78
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![BU of 8i78 by Molmil](/molmil-images/mine/8i78) | Meso-Diaminopimelate dehydrogenase | Descriptor: | Meso-diaminopimelate D-dehydrogenase | Authors: | Wei, S, Wu, T.F. | Deposit date: | 2023-01-31 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Analysis of the catalytic mechanism of meso-DAPDH and extension of D-aromatic amino acid substrate scope To Be Published
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5V9U
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![BU of 5v9u by Molmil](/molmil-images/mine/5v9u) | Crystal Structure of small molecule ARS-1620 covalently bound to K-Ras G12C | Descriptor: | (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ... | Authors: | Janes, M.R, Zhang, J, Li, L.-S, Hansen, R, Peters, U, Guo, X, Chen, Y, Babbar, A, Firdaus, S.J, Feng, J, Chen, J.H, Li, S, Brehmer, D, Darjania, L, Li, S, Long, Y.O, Thach, C, Liu, Y, Zarieh, A, Ely, T, Kucharski, J.M, Kessler, L.V, Wu, T, Wang, Y, Yao, Y, Deng, X, Zarrinkar, P, Dashyant, D, Lorenzi, M.V, Hu-Lowe, D, Patricelli, M.P, Ren, P, Liu, Y. | Deposit date: | 2017-03-23 | Release date: | 2018-02-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Targeting KRAS Mutant Cancers with a Covalent G12C-Specific Inhibitor. Cell, 172, 2018
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3BS1
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![BU of 3bs1 by Molmil](/molmil-images/mine/3bs1) | Structure of the Staphylococcus aureus AgrA LytTR Domain Bound to DNA Reveals a Beta Fold with a Novel Mode of Binding | Descriptor: | Accessory gene regulator protein A, DNA (5'-D(*DAP*DAP*(BRU)P*DAP*DCP*DTP*DTP*DAP*DAP*DCP*DTP*DGP*DTP*DTP*DAP*DA)-3'), DNA (5'-D(*DTP*DTP*DTP*DAP*DAP*DCP*DAP*DGP*DTP*DTP*DAP*DAP*DGP*(BRU)P*DAP*DT)-3'), ... | Authors: | Sidote, D.J, Barbieri, C, Wu, T, Stock, A.M. | Deposit date: | 2007-12-21 | Release date: | 2008-04-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of the Staphylococcus aureus AgrA LytTR Domain Bound to DNA Reveals a Beta Fold with an Unusual Mode of Binding. Structure, 16, 2008
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1C72
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![BU of 1c72 by Molmil](/molmil-images/mine/1c72) | TYR115, GLN165 AND TRP209 CONTRIBUTE TO THE 1,2-EPOXY-3-(P-NITROPHENOXY)PROPANE CONJUGATING ACTIVITIES OF GLUTATHIONE S-TRANSFERASE CGSTM1-1 | Descriptor: | 1-HYDROXY-2-S-GLUTATHIONYL-3-PARA-NITROPHENOXY-PROPANE, PROTEIN (GLUTATHIONE S-TRANSFERASE) | Authors: | Chern, M.K, Wu, T.C, Hsieh, C.H, Chou, C.C, Liu, L.F, Kuan, I.C, Yeh, Y.H, Hsiao, C.D, Tam, M.F. | Deposit date: | 2000-02-02 | Release date: | 2000-08-30 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Tyr115, gln165 and trp209 contribute to the 1, 2-epoxy-3-(p-nitrophenoxy)propane-conjugating activity of glutathione S-transferase cGSTM1-1. J.Mol.Biol., 300, 2000
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3WP5
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![BU of 3wp5 by Molmil](/molmil-images/mine/3wp5) | The crystal structure of mutant CDBFV E109A from Neocallimastix patriciarum | Descriptor: | CDBFV | Authors: | Cheng, Y.S, Chen, C.C, Huang, C.H, Huang, T.Y, Ko, T.P, Huang, J.W, Wu, T.H, Liu, J.R, Guo, R.T. | Deposit date: | 2014-01-09 | Release date: | 2014-03-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Structural analysis of a glycoside hydrolase family 11 xylanase from Neocallimastix patriciarum: insights into the molecular basis of a thermophilic enzyme. J.Biol.Chem., 289, 2014
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3WP4
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![BU of 3wp4 by Molmil](/molmil-images/mine/3wp4) | The crystal structure of native CDBFV from Neocallimastix patriciarum | Descriptor: | CDBFV, SULFATE ION | Authors: | Cheng, Y.S, Chen, C.C, Huang, C.H, Huang, T.Y, Ko, T.P, Huang, J.W, Wu, T.H, Liu, J.R, Guo, R.T. | Deposit date: | 2014-01-09 | Release date: | 2014-03-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Structural analysis of a glycoside hydrolase family 11 xylanase from Neocallimastix patriciarum: insights into the molecular basis of a thermophilic enzyme. J.Biol.Chem., 289, 2014
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3WP6
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![BU of 3wp6 by Molmil](/molmil-images/mine/3wp6) | The complex structure of CDBFV E109A with xylotriose | Descriptor: | CDBFV, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | Authors: | Cheng, Y.S, Chen, C.C, Huang, C.H, Huang, T.Y, Ko, T.P, Huang, J.W, Wu, T.H, Liu, J.R, Guo, R.T. | Deposit date: | 2014-01-09 | Release date: | 2014-03-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Structural analysis of a glycoside hydrolase family 11 xylanase from Neocallimastix patriciarum: insights into the molecular basis of a thermophilic enzyme. J.Biol.Chem., 289, 2014
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7EVJ
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![BU of 7evj by Molmil](/molmil-images/mine/7evj) | Crystal structure of CBP bromodomain liganded with 9c | Descriptor: | 3-acetyl-1-((3-(1-cyclopropyl-1H-pyrazol-4-yl)-2-fluoro-5-(hydroxymethyl)phenyl)carbamoyl)indolizin-7-yl dimethylcarbamate, CREB-binding protein, GLYCEROL, ... | Authors: | Xiang, Q, Wang, C, Wu, T, Zhang, Y, Zhang, C, Luo, G, Wu, X, Shen, H, Xu, Y. | Deposit date: | 2021-05-21 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Design, Synthesis, and Biological Evaluation of 1-(Indolizin-3-yl)ethan-1-ones as CBP Bromodomain Inhibitors for the Treatment of Prostate Cancer. J.Med.Chem., 65, 2022
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4JKD
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![BU of 4jkd by Molmil](/molmil-images/mine/4jkd) | Open and closed forms of I1790Y human PRP8 RNase H-like domain with bound Mg ion | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Pre-mRNA-processing-splicing factor 8 | Authors: | Schellenberg, M.J, Wu, T, Ritchie, D.B, Atta, K.A, MacMillan, A.M. | Deposit date: | 2013-03-09 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | A conformational switch in PRP8 mediates metal ion coordination that promotes pre-mRNA exon ligation. Nat.Struct.Mol.Biol., 20, 2013
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4JKE
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![BU of 4jke by Molmil](/molmil-images/mine/4jke) | Open and closed forms of T1789P human PRP8 RNase H-like domain with bound Mg ion | Descriptor: | MAGNESIUM ION, Pre-mRNA-processing-splicing factor 8 | Authors: | Schellenberg, M.J, Wu, T, Ritchie, D.B, Atta, K.A, MacMillan, A.M. | Deposit date: | 2013-03-09 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A conformational switch in PRP8 mediates metal ion coordination that promotes pre-mRNA exon ligation. Nat.Struct.Mol.Biol., 20, 2013
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4JKA
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![BU of 4jka by Molmil](/molmil-images/mine/4jka) | Open and closed forms of R1865A human PRP8 RNase H-like domain with bound Co ion | Descriptor: | CHLORIDE ION, COBALT (II) ION, Pre-mRNA-processing-splicing factor 8 | Authors: | Schellenberg, M.J, Wu, T, Ritchie, D.B, Atta, K.A, MacMillan, A.M. | Deposit date: | 2013-03-09 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | A conformational switch in PRP8 mediates metal ion coordination that promotes pre-mRNA exon ligation. Nat.Struct.Mol.Biol., 20, 2013
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7XIJ
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![BU of 7xij by Molmil](/molmil-images/mine/7xij) | Crystal structure of CBP bromodomain liganded with Y08175 | Descriptor: | 3-[(1-ethanoyl-5-methoxy-indol-3-yl)carbonylamino]-4-fluoranyl-5-(1-methylpyrazol-4-yl)benzoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Xiang, Q, Wang, C, Wu, T, Zhang, Y, Zhang, C, Luo, G, Wu, X, Shen, H, Xu, Y. | Deposit date: | 2022-04-13 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Crystal structure of CBP bromodomain liganded with Y08175 To Be Published
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7XNE
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![BU of 7xne by Molmil](/molmil-images/mine/7xne) | Crystal structure of CBP bromodomain liganded with Y08284 | Descriptor: | CREB-binding protein, GLYCEROL, N-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoranyl-5-[(1S)-1-oxidanylethyl]phenyl]-3-ethanoyl-7-methoxy-indolizine-1-carboxamide | Authors: | Xiang, Q, Wang, C, Wu, T, Zhang, C, Hu, Q, Luo, G, Hu, J, Zhuang, X, Zou, L, Shen, H, Wu, X, Zhang, Y, Kong, X, Xu, Y. | Deposit date: | 2022-04-28 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Design, Synthesis, and Biological Evaluation of 1-(Indolizin-3-yl)ethan-1-ones as CBP Bromodomain Inhibitors for the Treatment of Prostate Cancer. J.Med.Chem., 65, 2022
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4JKG
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![BU of 4jkg by Molmil](/molmil-images/mine/4jkg) | Open and closed forms of mixed T1789P+R1865A and R1865A human PRP8 RNase H-like domain with bound Mg ion | Descriptor: | MAGNESIUM ION, Pre-mRNA-processing-splicing factor 8 | Authors: | Schellenberg, M.J, Wu, T, Ritchie, D.B, Atta, K.A, MacMillan, A.M. | Deposit date: | 2013-03-09 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A conformational switch in PRP8 mediates metal ion coordination that promotes pre-mRNA exon ligation. Nat.Struct.Mol.Biol., 20, 2013
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4JKC
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![BU of 4jkc by Molmil](/molmil-images/mine/4jkc) | Open and closed forms of T1800E human PRP8 RNase H-like domain with bound Mg ion | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Schellenberg, M.J, Wu, T, Ritchie, D.B, Atta, K.A, MacMillan, A.M. | Deposit date: | 2013-03-09 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A conformational switch in PRP8 mediates metal ion coordination that promotes pre-mRNA exon ligation. Nat.Struct.Mol.Biol., 20, 2013
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4JK7
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![BU of 4jk7 by Molmil](/molmil-images/mine/4jk7) | Open and closed forms of wild-type human PRP8 RNase H-like domain with bound Mg ion | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Schellenberg, M.J, Wu, T, Ritchie, D.B, Atta, K, MacMillan, A.M. | Deposit date: | 2013-03-09 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A conformational switch in PRP8 mediates metal ion coordination that promotes pre-mRNA exon ligation. Nat.Struct.Mol.Biol., 20, 2013
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4JKB
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![BU of 4jkb by Molmil](/molmil-images/mine/4jkb) | Open and closed forms of V1788D human PRP8 RNase H-like domain with bound Mg ion | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Schellenberg, M.J, Wu, T, Ritchie, D.B, Atta, K.A, MacMillan, A.M. | Deposit date: | 2013-03-09 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | A conformational switch in PRP8 mediates metal ion coordination that promotes pre-mRNA exon ligation. Nat.Struct.Mol.Biol., 20, 2013
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4JK9
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![BU of 4jk9 by Molmil](/molmil-images/mine/4jk9) | Open and closed forms of wild-type human PRP8 RNase H-like domain with bound Co ion | Descriptor: | CHLORIDE ION, COBALT (II) ION, GLYCEROL, ... | Authors: | Schellenberg, M.J, Wu, T, Ritchie, D.B, Atta, K.A, MacMillan, A.M. | Deposit date: | 2013-03-09 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A conformational switch in PRP8 mediates metal ion coordination that promotes pre-mRNA exon ligation. Nat.Struct.Mol.Biol., 20, 2013
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4JKH
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![BU of 4jkh by Molmil](/molmil-images/mine/4jkh) | Open and closed forms of D1781E human PRP8 RNase H-like domain with bound Mg ion | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Schellenberg, M.J, Wu, T, Ritchie, D.B, Atta, K.A, MacMillan, A.M. | Deposit date: | 2013-03-09 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A conformational switch in PRP8 mediates metal ion coordination that promotes pre-mRNA exon ligation. Nat.Struct.Mol.Biol., 20, 2013
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4JK8
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![BU of 4jk8 by Molmil](/molmil-images/mine/4jk8) | Open and closed forms of R1865A human PRP8 RNase H-like domain with bound Mg ion | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Schellenberg, M.J, Wu, T, Ritchie, D.B, Atta, K.A, MacMillan, A.M. | Deposit date: | 2013-03-09 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | A conformational switch in PRP8 mediates metal ion coordination that promotes pre-mRNA exon ligation. Nat.Struct.Mol.Biol., 20, 2013
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