7V5J
 
 | | MERS S ectodomain trimer in complex with neutralizing antibody 0722(state 2) | | Descriptor: | 0722 H, 0722 L, Spike glycoprotein | | Authors: | Wang, X, Zhao, J, Wang, Z, Zeng, J, Zhang, S, Wang, Y. | | Deposit date: | 2021-08-17 | | Release date: | 2022-09-21 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | MERS S ectodomain trimer in complex with neutralizing antibody 0722(state 2)
to be published
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6LY3
 | | PylRS C-terminus domain mutant bound with 3-Benzothienyl-L-alanine and AMPNP | | Descriptor: | 3-(1-benzothiophen-3-yl)-L-alanine, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Weng, J.H, Tsai, M.D, Wang, Y.S. | | Deposit date: | 2020-02-13 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.89590144 Å) | | Cite: | Probing the Active Site of Deubiquitinase USP30 with Noncanonical Tryptophan Analogues.
Biochemistry, 59, 2020
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7V6N
 | | MERS S ectodomain trimer in complex with neutralizing antibody 111 state1 | | Descriptor: | 111 H, 111 L, Spike glycoprotein | | Authors: | Wang, X, Zhao, J, Wang, Z, Zeng, J, Zhang, S, Wang, Y. | | Deposit date: | 2021-08-20 | | Release date: | 2022-09-14 | | Method: | ELECTRON MICROSCOPY (3.99 Å) | | Cite: | MERS S ectodomain trimer in complex with neutralizing antibody 111 state1
to be published
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7V6O
 | | MERS S ectodomain trimer in complex with neutralizing antibody 111 (state 2) | | Descriptor: | 111 H, 111 L, Spike glycoprotein | | Authors: | Wang, X, Zhao, J, Wang, Z, Zeng, J, Zhang, S, Wang, Y. | | Deposit date: | 2021-08-20 | | Release date: | 2022-09-28 | | Method: | ELECTRON MICROSCOPY (4.56 Å) | | Cite: | MERS S ectodomain trimer in complex with neutralizing antibody 111 (state 2)
to be published
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8OR7
 | | Structure of a far-red induced allophycocyanin from Chroococcidiopsis thermalis sp. PCC 7203 | | Descriptor: | Allophycocyanin beta subunit apoprotein, PHYCOCYANOBILIN, POTASSIUM ION, ... | | Authors: | Zhou, L.J, Hoeppner, A, Wang, Y.Q, Zhao, K.H. | | Deposit date: | 2023-04-13 | | Release date: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystallographic and biochemical analyses of a far-red allophycocyanin to address the mechanism of the super-red-shift.
Photosynth.Res., 2024
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5YDG
 | | Crystal structure of the Arabidopsis thaliana chloroplast RNA editing factors 2(MORF2) | | Descriptor: | Multiple organellar RNA editing factor 2, chloroplastic | | Authors: | Wang, X, Yang, J.Y, Wang, Y.L, Gao, Y.S. | | Deposit date: | 2017-09-13 | | Release date: | 2017-12-20 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.405 Å) | | Cite: | Crystal structure of the chloroplast RNA editing factor MORF2
Biochem. Biophys. Res. Commun., 495, 2018
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7D3I
 | | Crystal structure of SARS-CoV-2 main protease in complex with MI-23 | | Descriptor: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase | | Authors: | Zeng, R, Li, Y.S, Qiao, J.X, Wang, Y.F, Yang, S.Y, Lei, J. | | Deposit date: | 2020-09-19 | | Release date: | 2020-10-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.004 Å) | | Cite: | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
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5GNF
 | | Crystal structure of anti-CRISPR protein AcrF3 | | Descriptor: | CALCIUM ION, Uncharacterized protein AcrF3 | | Authors: | Wang, J, Wang, Y. | | Deposit date: | 2016-07-20 | | Release date: | 2016-09-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A CRISPR evolutionary arms race: structural insights into viral anti-CRISPR/Cas responses
Cell Res., 26, 2016
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5YEL
 | | Crystal structure of CTCF ZFs6-11-gb7CSE | | Descriptor: | DNA (26-MER), Transcriptional repressor CTCF, ZINC ION | | Authors: | Yin, M, Wang, J, Wang, M, Li, X, Wang, Y. | | Deposit date: | 2017-09-18 | | Release date: | 2017-11-29 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | Molecular mechanism of directional CTCF recognition of a diverse range of genomic sites
Cell Res., 27, 2017
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1U9M
 | | Crystal structure of F58W mutant of cytochrome b5 | | Descriptor: | Cytochrome b5, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Shan, L, Lu, J.-X, Gan, J.-H, Wang, Y.-H, Huang, Z.-X, Xia, Z.-X. | | Deposit date: | 2004-08-10 | | Release date: | 2005-02-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the F58W mutant of cytochrome b5: the mutation leads to multiple conformations and weakens stacking interactions.
Acta Crystallogr.,Sect.D, 61, 2005
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6LY7
 | | PylRS C-terminus domain mutant bound with 1-Formyl-L-tryptophan and AMPNP | | Descriptor: | MAGNESIUM ION, N1-FORMYL-TRYPTOPHAN, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Weng, J.H, Tsai, M.D, Wang, Y.S. | | Deposit date: | 2020-02-13 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.09447265 Å) | | Cite: | Probing the Active Site of Deubiquitinase USP30 with Noncanonical Tryptophan Analogues.
Biochemistry, 59, 2020
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3H5B
 | | Crystal structure of wild type HIV-1 protease with novel P1'-ligand GRL-02031 | | Descriptor: | (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, CHLORIDE ION, GLYCEROL, ... | | Authors: | Tie, Y, Wang, Y.F, Weber, I.T. | | Deposit date: | 2009-04-21 | | Release date: | 2009-06-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Design of HIV-1 protease inhibitors with pyrrolidinones and oxazolidinones as novel P1'-ligands to enhance backbone-binding interactions with protease: synthesis, biological evaluation, and protein-ligand X-ray studies.
J.Med.Chem., 52, 2009
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1BVE
 | | HIV-1 PROTEASE-DMP323 COMPLEX IN SOLUTION, NMR, 28 STRUCTURES | | Descriptor: | HIV-1 PROTEASE, [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHEN YLMETHYL)]-2H-1,3-DIAZEPINONE | | Authors: | Yamazaki, T, Hinck, A.P, Wang, Y.-X, Nicholson, L.K, Torchia, D.A, Wingfield, P, Stahl, S.J, Kaufman, J.D, Chang, C, Domaille, P.J, Lam, P.Y.S. | | Deposit date: | 1996-01-16 | | Release date: | 1996-08-17 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional solution structure of the HIV-1 protease complexed with DMP323, a novel cyclic urea-type inhibitor, determined by nuclear magnetic resonance spectroscopy.
Protein Sci., 5, 1996
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1BVG
 | | HIV-1 PROTEASE-DMP323 COMPLEX IN SOLUTION, NMR MINIMIZED AVERAGE STRUCTURE | | Descriptor: | HIV-1 PROTEASE, [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHEN YLMETHYL)]-2H-1,3-DIAZEPINONE | | Authors: | Yamazaki, T, Hinck, A.P, Wang, Y.-X, Nicholson, L.K, Torchia, D.A, Wingfield, P, Stahl, S.J, Kaufman, J.D, Chang, C, Domaille, P.J, Lam, P.Y.S. | | Deposit date: | 1996-01-16 | | Release date: | 1996-08-17 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional solution structure of the HIV-1 protease complexed with DMP323, a novel cyclic urea-type inhibitor, determined by nuclear magnetic resonance spectroscopy.
Protein Sci., 5, 1996
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5D8Q
 | | 2.20A resolution structure of BfrB (L68A) from Pseudomonas aeruginosa | | Descriptor: | ARSENIC, Ferroxidase, MAGNESIUM ION, ... | | Authors: | Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M. | | Deposit date: | 2015-08-17 | | Release date: | 2015-09-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
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5D8O
 | | 1.90A resolution structure of BfrB (wild-type, C2221 form) from Pseudomonas aeruginosa | | Descriptor: | Ferroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M. | | Deposit date: | 2015-08-17 | | Release date: | 2015-09-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
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5UY8
 | | Crystal structure of AICARFT bound to an antifolate | | Descriptor: | 5-[(5S)-5-ethyl-5-methyl-6-oxo-1,4,5,6-tetrahydropyridin-3-yl]-N-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)thiophene-2-sulfonamide, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Bifunctional purine biosynthesis protein PURH, ... | | Authors: | Wang, J, Wang, Y, Fales, K.R, Atwell, S, Clawson, D. | | Deposit date: | 2017-02-23 | | Release date: | 2018-01-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Discovery of N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide (LSN 3213128), a Potent and Selective Nonclassical Antifolate Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase (AICARFT) Inhibitor Effective at Tumor Suppression in a Cancer Xenograft Model.
J. Med. Chem., 60, 2017
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5UZ0
 | | Crystal structure of AICARFT bound to an antifolate | | Descriptor: | AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Bifunctional purine biosynthesis protein PURH, MAGNESIUM ION, ... | | Authors: | Atwell, S, Wang, Y, Fales, K.R, Clawson, D, Wang, J. | | Deposit date: | 2017-02-24 | | Release date: | 2018-01-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Discovery of N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide (LSN 3213128), a Potent and Selective Nonclassical Antifolate Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase (AICARFT) Inhibitor Effective at Tumor Suppression in a Cancer Xenograft Model.
J. Med. Chem., 60, 2017
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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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1OV2
 | | Ensemble of the solution structures of domain one of receptor associated protein | | Descriptor: | Alpha-2-macroglobulin receptor-associated protein precursor | | Authors: | Wu, Y, Migliorini, M, Yu, P, Strickland, D.K, Wang, Y.X. | | Deposit date: | 2003-03-25 | | Release date: | 2004-04-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | 1H, 13C and 15N resonance assignments of domain 1 of receptor associated protein.
J.Biomol.Nmr, 26, 2003
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1PCG
 | | Helix-stabilized cyclic peptides as selective inhibitors of steroid receptor-coactivator interactions | | Descriptor: | ESTRADIOL, estrogen receptor, peptide inhibitor | | Authors: | Leduc, A.M, Trent, J.O, Wittliff, J.L, Bramlett, K.S, Briggs, S.L, Chirgadze, N.Y, Wang, Y, Burris, T.P, Spatola, A.F. | | Deposit date: | 2003-05-16 | | Release date: | 2003-10-28 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Helix-stabilized cyclic peptides as selective inhibitors of steroid receptor-coactivator interactions
Proc.Natl.Acad.Sci.USA, 100, 2003
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6JFU
 | | Crystal structure of Nme2Cas9 in complex with sgRNA and target DNA (AGGCCC PAM) | | Descriptor: | 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9, non-target strand, ... | | Authors: | Sun, W, Yang, J, Cheng, Z, Liu, C, Wang, K, Huang, X, Wang, Y. | | Deposit date: | 2019-02-12 | | Release date: | 2019-11-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structures of Neisseria meningitidis Cas9 Complexes in Catalytically Poised and Anti-CRISPR-Inhibited States.
Mol.Cell, 76, 2019
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8SA2
 | | Adenosylcobalamin-bound riboswitch dimer, form 1 | | Descriptor: | Adenosylcobalamin, adenosylcobalamin riboswitch form 1 | | Authors: | Ding, J, Deme, J.C, Stagno, J.R, Yu, P, Lea, S.M, Wang, Y.X. | | Deposit date: | 2023-03-31 | | Release date: | 2023-07-26 | | Last modified: | 2023-10-25 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Capturing heterogeneous conformers of cobalamin riboswitch by cryo-EM.
Nucleic Acids Res., 51, 2023
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8SA4
 | | Adenosylcobalamin-bound riboswitch dimer, form 3 | | Descriptor: | Adenosylcobalamin, adenosylcobalamin riboswitch form 3 | | Authors: | Ding, J, Deme, J.C, Stagno, J.R, Yu, P, Lea, S.M, Wang, Y.X. | | Deposit date: | 2023-03-31 | | Release date: | 2023-07-26 | | Last modified: | 2023-10-25 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Capturing heterogeneous conformers of cobalamin riboswitch by cryo-EM.
Nucleic Acids Res., 51, 2023
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1PDQ
 | | Polycomb chromodomain complexed with the histone H3 tail containing trimethyllysine 27. | | Descriptor: | Histone H3.3, Polycomb protein | | Authors: | Fischle, W, Wang, Y, Jacobs, S.A, Kim, Y, Allis, C.D, Khorasanizadeh, S. | | Deposit date: | 2003-05-20 | | Release date: | 2003-08-26 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Molecular basis for the discrimination of repressive methyl-lysine marks in histone H3 by Polycomb and HP1 chromodomains
Genes Dev., 17, 2003
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