7T09
 
 | | Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2d | | Descriptor: | (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 1,2-ETHANEDIOL, 4-{[5-({(2S)-2-butyl-5-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl}methyl)-1H-imidazol-1-yl]methyl}benzonitrile, ... | | Authors: | Wang, Y, Shi, Y, Beese, L.S. | | Deposit date: | 2021-11-29 | | Release date: | 2022-11-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.984 Å) | | Cite: | Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
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7T0C
 | | Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2e | | Descriptor: | (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, (5S)-5-butyl-4-({1-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl}methyl)-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one, 1,2-ETHANEDIOL, ... | | Authors: | Wang, Y, Shi, Y, Beese, L.S. | | Deposit date: | 2021-11-29 | | Release date: | 2022-11-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.903 Å) | | Cite: | Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
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7T0D
 | | Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2k | | Descriptor: | (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, (5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-propyl-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one, 1,2-ETHANEDIOL, ... | | Authors: | Wang, Y, Shi, Y, Beese, L.S. | | Deposit date: | 2021-11-29 | | Release date: | 2022-11-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.906 Å) | | Cite: | Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
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7T08
 | | Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2q | | Descriptor: | (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 1,2-ETHANEDIOL, 4-{[5-({(2S)-2-butyl-5-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl}methyl)-1H-imidazol-1-yl]methyl}-2-fluorobenzonitrile, ... | | Authors: | Wang, Y, Shi, Y, Beese, L.S. | | Deposit date: | 2021-11-29 | | Release date: | 2022-11-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.803 Å) | | Cite: | Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
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7T0A
 | | Cryptococcus neoformans protein farnesyltransferase co-crystallized with FPP and inhibitor 2f | | Descriptor: | (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, (5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-butyl-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one, 1,2-ETHANEDIOL, ... | | Authors: | Wang, Y, Shi, Y, Beese, L.S. | | Deposit date: | 2021-11-29 | | Release date: | 2022-11-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.099 Å) | | Cite: | Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
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7TA8
 | | NMR structure of crosslinked cyclophilin A | | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | | Authors: | Lu, M, Toptygin, D, Xiang, Y, Shi, Y, Schwieters, C.D, Lipinski, E.C, Ahn, J, Byeon, I.-J.L, Gronenborn, A.M. | | Deposit date: | 2021-12-20 | | Release date: | 2022-06-01 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | The Magic of Linking Rings: Discovery of a Unique Photoinduced Fluorescent Protein Crosslink.
J.Am.Chem.Soc., 144, 2022
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2H60
 | | Solution Structure of Human Brg1 Bromodomain | | Descriptor: | Probable global transcription activator SNF2L4 | | Authors: | Shen, W, Xu, C, Zhang, J, Wu, J, Shi, Y. | | Deposit date: | 2006-05-30 | | Release date: | 2007-02-13 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | Solution structure of human Brg1 bromodomain and its specific binding to acetylated histone tails
Biochemistry, 46, 2007
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2GP5
 | | Crystal structure of catalytic core domain of jmjd2A complexed with alpha-Ketoglutarate | | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, Jumonji domain-containing protein 2A, ... | | Authors: | Chen, Z, Zang, J, Whetstine, J, Hong, X, Davrazou, F, Kutateladze, T.G, Simpson, M, Dai, S, Hagman, J, Shi, Y, Zhang, G. | | Deposit date: | 2006-04-16 | | Release date: | 2006-05-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural insights into histone demethylation by JMJD2 family members
Cell(Cambridge,Mass.), 125, 2006
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2GP3
 | | Crystal structure of the catalytic core domain of jmjd2a | | Descriptor: | FE (II) ION, Jumonji domain-containing protein 2A, ZINC ION | | Authors: | Chen, Z, Zang, J, Whetstine, J, Hong, X, Davrazou, F, Kutateladze, T.G, Simpson, M, Dai, S, Hagman, J, Shi, Y, Zhang, G. | | Deposit date: | 2006-04-16 | | Release date: | 2006-05-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural insights into histone demethylation by JMJD2 family members
Cell(Cambridge,Mass.), 125, 2006
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2I7K
 | | Solution Structure of the Bromodomain of Human BRD7 Protein | | Descriptor: | Bromodomain-containing protein 7 | | Authors: | Sun, H, Liu, J, Zhang, J, Huang, H, Wu, J, Shi, Y. | | Deposit date: | 2006-08-31 | | Release date: | 2007-07-10 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | Solution structure of BRD7 bromodomain and its interaction with acetylated peptides from histone H3 and H4
Biochem.Biophys.Res.Commun., 358, 2007
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2JR7
 | | Solution structure of human DESR1 | | Descriptor: | DPH3 homolog, ZINC ION | | Authors: | Wu, F, Wu, J, Shi, Y. | | Deposit date: | 2007-06-21 | | Release date: | 2008-03-25 | | Last modified: | 2023-12-20 | | Method: | SOLUTION NMR | | Cite: | Solution structure of human DESR1, a CSL zinc-binding protein
Proteins, 71, 2008
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2JXN
 | | Solution Structure of S. cerevisiae PDCD5-like Protein Ymr074cp | | Descriptor: | S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, Uncharacterized protein YMR074C | | Authors: | Hong, J, Zhang, J, Liu, Z, Shi, Y, Wu, J. | | Deposit date: | 2007-11-23 | | Release date: | 2008-12-02 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | Solution Structure and Dynamics of S. cerevisiae PDCD5-like Protein Ymr074cp Determined by Heteronuclear NMR Spectroscopy
To be Published
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5X4R
 | | Structure of the N-terminal domain (NTD) of MERS-CoV spike protein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S protein | | Authors: | Yuan, Y, Zhang, Y, Qi, J, Shi, Y, Gao, G.F. | | Deposit date: | 2017-02-14 | | Release date: | 2017-05-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Cryo-EM structures of MERS-CoV and SARS-CoV spike glycoproteins reveal the dynamic receptor binding domains
Nat Commun, 8, 2017
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2KXJ
 | | Solution structure of UBX domain of human UBXD2 protein | | Descriptor: | UBX domain-containing protein 4 | | Authors: | Wu, Q, Huang, H, Zhang, J, Hu, Q, Wu, J, Shi, Y. | | Deposit date: | 2010-05-06 | | Release date: | 2011-05-18 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | Solution strcture of UBX domain of human UBXD2 protein
To be Published
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2KU3
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2K7N
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2L43
 | | Structural basis for histone code recognition by BRPF2-PHD1 finger | | Descriptor: | Histone H3.3,LINKER,Bromodomain-containing protein 1, ZINC ION | | Authors: | Qin, S, Zhang, J, Wu, J, Shi, Y. | | Deposit date: | 2010-10-01 | | Release date: | 2011-08-31 | | Last modified: | 2020-01-15 | | Method: | SOLUTION NMR | | Cite: | Recognition of unmodified histone H3 by the first PHD finger of Bromodomain-PHD finger protein 2 provides insights into the regulation of histone acetyltransferases MOZ and MORF
To be Published
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8GVI
 | | The complex between H25-11 TCR and HLA-A24 bound to HIV-1 Nef138-8 peptide | | Descriptor: | 8-mer peptide from Protein Nef, Beta-2-microglobulin, H25-11 TCR alpha chain, ... | | Authors: | Gao, G.F, Shi, Y, Tan, S, Ma, K, Chai, Y, Qi, J, Kawana-Tachikawa, A, Iwamoto, A, Dong, T, Guan, J. | | Deposit date: | 2022-09-15 | | Release date: | 2022-10-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Molecular Basis for the Recognition of HIV Nef138-8 Epitope by a Pair of Human Public T Cell Receptors.
J Immunol., 209, 2022
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8GVG
 | | The complex between public TCR TD08 and HLA-A24 bound to HIV-1 Nef138-8 (2F) peptide | | Descriptor: | Beta-2-microglobulin, MHC class I antigen, TD08 TCR alpha chain, ... | | Authors: | Gao, G.F, Shi, Y, Ma, K, Chai, Y, Guan, J, Qi, J, Tan, S, Dong, T, Iwamoto, A, Kawana-Tachikawa, A. | | Deposit date: | 2022-09-15 | | Release date: | 2022-10-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.37 Å) | | Cite: | Molecular Basis for the Recognition of HIV Nef138-8 Epitope by a Pair of Human Public T Cell Receptors.
J Immunol., 209, 2022
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3ID2
 | | Crystal Structure of RseP PDZ2 domain | | Descriptor: | IODIDE ION, Regulator of sigma E protease | | Authors: | Li, X, Wang, B, Feng, L, Wang, J, Shi, Y. | | Deposit date: | 2009-07-20 | | Release date: | 2009-08-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.089 Å) | | Cite: | Cleavage of RseA by RseP requires a carboxyl-terminal hydrophobic amino acid following DegS cleavage
Proc.Natl.Acad.Sci.USA, 106, 2009
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3ID4
 | | Crystal Structure of RseP PDZ2 domain fused GKASPV peptide | | Descriptor: | Regulator of sigma E protease | | Authors: | Li, X, Wang, B, Feng, L, Wang, J, Shi, Y. | | Deposit date: | 2009-07-20 | | Release date: | 2009-08-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.604 Å) | | Cite: | Cleavage of RseA by RseP requires a carboxyl-terminal hydrophobic amino acid following DegS cleavage
Proc.Natl.Acad.Sci.USA, 106, 2009
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3ID1
 | | Crystal Structure of RseP PDZ1 domain | | Descriptor: | Regulator of sigma E protease | | Authors: | Li, X, Wang, B, Feng, L, Wang, J, Shi, Y. | | Deposit date: | 2009-07-20 | | Release date: | 2009-08-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Cleavage of RseA by RseP requires a carboxyl-terminal hydrophobic amino acid following DegS cleavage
Proc.Natl.Acad.Sci.USA, 106, 2009
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5VNU
 | | Nonheme Iron Replacement in a Biosynthetic Nitric Oxide Reductase Model Performing O2 Reduction to Water: Mn-bound FeBMb | | Descriptor: | MANGANESE (II) ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Reed, J, Shi, Y, Zhu, Q, Chakraborty, S, Mirs, E.N, Petrik, I.D, Bhagi-Damodaran, A, Ross, M, Moenne-Loccoz, P, Zhang, Y, Lu, Y. | | Deposit date: | 2017-05-01 | | Release date: | 2017-08-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.584 Å) | | Cite: | Manganese and Cobalt in the Nonheme-Metal-Binding Site of a Biosynthetic Model of Heme-Copper Oxidase Superfamily Confer Oxidase Activity through Redox-Inactive Mechanism.
J. Am. Chem. Soc., 139, 2017
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3ID3
 | | Crystal Structure of RseP PDZ2 I304A domain | | Descriptor: | Regulator of sigma E protease | | Authors: | Li, X, Wang, B, Feng, L, Wang, J, Shi, Y. | | Deposit date: | 2009-07-20 | | Release date: | 2009-08-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Cleavage of RseA by RseP requires a carboxyl-terminal hydrophobic amino acid following DegS cleavage
Proc.Natl.Acad.Sci.USA, 106, 2009
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5VRT
 | | Nonheme Iron Replacement in a Biosynthetic Nitric Oxide Reductase Model Performing O2 Reduction to Water: Co-bound FeBMb | | Descriptor: | COBALT (II) ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Reed, J, Shi, Y, Zhu, Q, Chakraborty, S, Mirs, E.N, Petrik, I.D, Bhagi-Damodaran, A, Ross, M, Moenne-Loccoz, P, Zhang, Y, Lu, Y. | | Deposit date: | 2017-05-11 | | Release date: | 2017-08-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.995 Å) | | Cite: | Manganese and Cobalt in the Nonheme-Metal-Binding Site of a Biosynthetic Model of Heme-Copper Oxidase Superfamily Confer Oxidase Activity through Redox-Inactive Mechanism.
J. Am. Chem. Soc., 139, 2017
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