9KZP
 
 | | Z-form DNA-RNA hybrid in dynamic simulation | | Descriptor: | DNA (5'-D(*(5CM)P*GP*(5CM)P*AP*(5CM)P*GP*(5CM)P*G)-3'), RNA (5'-R(*CP*GP*CP*GP*UP*GP*CP*G)-3') | | Authors: | Wang, S.Y, Xu, Y. | | Deposit date: | 2024-12-11 | | Release date: | 2024-12-25 | | Last modified: | 2025-03-19 | | Method: | SOLUTION NMR | | Cite: | Z-form DNA-RNA hybrid blocks DNA replication.
Nucleic Acids Res., 53, 2025
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1ID5
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8G4M
 | | Vaccine-elicited human antibody 2C06 in complex with HIV-1 envelope trimer BG505 DS-SOSIP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | | Authors: | Wang, S, Morano, N.C, Shapiro, L, Kwong, P.D. | | Deposit date: | 2023-02-10 | | Release date: | 2023-07-12 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | HIV-1 neutralizing antibodies elicited in humans by a prefusion-stabilized envelope trimer form a reproducible class targeting fusion peptide.
Cell Rep, 42, 2023
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8G4T
 | | Vaccine-elicited human antibody 2C09 in complex with HIV-1 envelope trimer BG505 DS-SOSIP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein BG505 DS-SOSIP gp120, ... | | Authors: | Wang, S, Kwong, P.D. | | Deposit date: | 2023-02-10 | | Release date: | 2023-07-12 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (2.81 Å) | | Cite: | HIV-1 neutralizing antibodies elicited in humans by a prefusion-stabilized envelope trimer form a reproducible class targeting fusion peptide.
Cell Rep, 42, 2023
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1PXM
 | | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 3-[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol | | Descriptor: | 3-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL, Cell division protein kinase 2 | | Authors: | Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M. | | Deposit date: | 2003-07-04 | | Release date: | 2004-04-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | 2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity.
J.Med.Chem., 47, 2004
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1PXN
 | | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-[4-(4-Methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol | | Descriptor: | 4-[4-(4-METHYL-2-METHYLAMINO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL, Cell division protein kinase 2 | | Authors: | Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Mezna, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M. | | Deposit date: | 2003-07-04 | | Release date: | 2004-04-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | 2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity.
J.Med.Chem., 47, 2004
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1PXP
 | | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR N-[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-N',N'-dimethyl-benzene-1,4-diamine | | Descriptor: | Cell division protein kinase 2, N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE | | Authors: | Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Mezna, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M. | | Deposit date: | 2003-07-04 | | Release date: | 2004-04-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity.
J.Med.Chem., 47, 2004
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4Y63
 | | AAGlyB in complex with amino-acid analogues | | Descriptor: | 5'-deoxy-5'-{[(2S)-2-(triaza-1,2-dien-2-ium-1-yl)propanoyl]amino}uridine, Histo-blood group ABO system transferase, MANGANESE (II) ION, ... | | Authors: | Wang, S, Cuesta-Seijo, J.A, Striebeck, A, Lafont, D, Palcic, M.M, Vidal, S. | | Deposit date: | 2015-02-12 | | Release date: | 2015-09-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Design of Glycosyltransferase Inhibitors: Serine Analogues as Pyrophosphate Surrogates?
Chempluschem, 80, 2015
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4Y62
 | | AAGlyB in complex with amino-acid analogues | | Descriptor: | 5'-deoxy-5'-{[(2R)-3-hydroxy-2-(4-phenyl-1H-1,2,3-triazol-1-yl)propanoyl]amino}uridine, Histo-blood group ABO system transferase, octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside | | Authors: | Wang, S, Cuesta-Seijo, J.A, Striebeck, A, Lafont, D, Palcic, M.M, Vidal, S. | | Deposit date: | 2015-02-12 | | Release date: | 2015-09-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Design of Glycosyltransferase Inhibitors: Serine Analogues as Pyrophosphate Surrogates?
Chempluschem, 80, 2015
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9JVN
 | | Z-FORM DNA-RNA HYBRID | | Descriptor: | DNA (5'-D(*CP*GP*CP*AP*CP*GP*CP*G)-3'), RNA (5'-R(*CP*GP*CP*GP*UP*GP*CP*G)-3') | | Authors: | Wang, S, Xu, Y. | | Deposit date: | 2024-10-09 | | Release date: | 2024-11-06 | | Last modified: | 2025-05-21 | | Method: | SOLUTION NMR | | Cite: | Z-form DNA-RNA hybrid blocks DNA replication.
Nucleic Acids Res., 53, 2025
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4DQM
 | | Revealing a marine natural product as a novel agonist for retinoic acid receptors with a unique binding mode and antitumor activity | | Descriptor: | (5S)-4-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5H)-one, Nuclear receptor coactivator 1, Retinoic acid receptor alpha | | Authors: | Wang, S, Wang, Z, Lin, S, Zheng, W, Wang, R, Jin, S, Chen, J, Jin, L, Li, Y. | | Deposit date: | 2012-02-16 | | Release date: | 2012-10-03 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Revealing a natural marine product as a novel agonist for retinoic acid receptors with a unique binding mode and inhibitory effects on cancer cells.
Biochem.J., 446, 2012
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1JRK
 | | Crystal Structure of a Nudix Protein from Pyrobaculum aerophilum Reveals a Dimer with Intertwined Beta Sheets | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Nudix homolog | | Authors: | Wang, S, Mura, C, Sawaya, M.R, Cascio, D, Eisenberg, D. | | Deposit date: | 2001-08-13 | | Release date: | 2002-04-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of a Nudix protein from Pyrobaculum aerophilum reveals a dimer with two intersubunit beta-sheets.
Acta Crystallogr.,Sect.D, 58, 2002
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6H1D
 | | Crystal structure of C21orf127-TRMT112 in complex with SAH | | Descriptor: | HemK methyltransferase family member 2, Multifunctional methyltransferase subunit TRM112-like protein, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Wang, S, Hermann, B, Metzger, E, Peng, L, Einsle, O, Schuele, R. | | Deposit date: | 2018-07-11 | | Release date: | 2019-05-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | KMT9 monomethylates histone H4 lysine 12 and controls proliferation of prostate cancer cells.
Nat.Struct.Mol.Biol., 26, 2019
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6H1E
 | | Crystal structure of C21orf127-TRMT112 in complex with SAH and H4 peptide | | Descriptor: | HemK methyltransferase family member 2, Histone H4 peptide, Multifunctional methyltransferase subunit TRM112-like protein, ... | | Authors: | Wang, S, Hermann, B, Metzger, E, Peng, L, Einsle, O, Schuele, R. | | Deposit date: | 2018-07-11 | | Release date: | 2019-05-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | KMT9 monomethylates histone H4 lysine 12 and controls proliferation of prostate cancer cells.
Nat.Struct.Mol.Biol., 26, 2019
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1K2E
 | | crystal structure of a nudix protein from Pyrobaculum aerophilum | | Descriptor: | ACETIC ACID, GLYCEROL, NICKEL (II) ION, ... | | Authors: | Wang, S, Mura, C, Sawaya, M.R, Cascio, D, Eisenberg, D. | | Deposit date: | 2001-09-26 | | Release date: | 2002-04-03 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of a Nudix protein from Pyrobaculum aerophilum reveals a dimer with two intersubunit beta-sheets.
Acta Crystallogr.,Sect.D, 58, 2002
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8UFD
 | | Multidrug efflux pump MtEfpA bound with inhibitor BRD8000.3 | | Descriptor: | (1S,3S)-N-[6-bromo-5-(pyrimidin-2-yl)pyridin-2-yl]-2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxamide, Integral membrane efflux protein EFPA, PHOSPHATIDYLETHANOLAMINE | | Authors: | Wang, S, Liao, M. | | Deposit date: | 2023-10-04 | | Release date: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | Structures of the Mycobacterium tuberculosis efflux pump EfpA reveal the mechanisms of transport and inhibition.
Nat Commun, 15, 2024
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8UFE
 | | Multidrug efflux pump EfpA from mycobacterium smegmatis | | Descriptor: | Integral membrane efflux protein EfpA, PHOSPHATIDYLETHANOLAMINE | | Authors: | Wang, S, Liao, M. | | Deposit date: | 2023-10-04 | | Release date: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.68 Å) | | Cite: | Structures of the Mycobacterium tuberculosis efflux pump EfpA reveal the mechanisms of transport and inhibition.
Nat Commun, 15, 2024
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8FR6
 | | Antibody vFP53.02 in complex with HIV-1 envelope trimer BG505 DS-SOSIP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | | Authors: | Wang, S, Kwong, P.D. | | Deposit date: | 2023-01-06 | | Release date: | 2023-04-19 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
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5ED4
 | | Structure of a PhoP-DNA complex | | Descriptor: | 1,2-ETHANEDIOL, CACODYLATE ION, CALCIUM ION, ... | | Authors: | Wang, S. | | Deposit date: | 2015-10-20 | | Release date: | 2016-04-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis of DNA sequence recognition by the response regulator PhoP in Mycobacterium tuberculosis.
Sci Rep, 6, 2016
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8K84
 | | De novo design protein -N3 | | Descriptor: | DI(HYDROXYETHYL)ETHER, De novo design protein | | Authors: | Wang, S, Liu, Y. | | Deposit date: | 2023-07-28 | | Release date: | 2024-07-31 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | De novo protein design with a denoising diffusion network independent of pretrained structure prediction models.
Nat.Methods, 21, 2024
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8K8G
 | | De novo design protein -N9 | | Descriptor: | De novo design protein | | Authors: | Wang, S, Liu, Y. | | Deposit date: | 2023-07-29 | | Release date: | 2024-08-07 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | De novo protein design with a denoising diffusion network independent of pretrained structure prediction models.
Nat.Methods, 21, 2024
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8KC1
 | | De novo design protein -NX5 | | Descriptor: | De novo design protein -NX5 | | Authors: | Wang, S, Liu, Y. | | Deposit date: | 2023-08-05 | | Release date: | 2024-08-07 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | De novo protein design with a denoising diffusion network independent of pretrained structure prediction models.
Nat.Methods, 21, 2024
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8KA7
 | | De novo design protein -NB7 | | Descriptor: | De novo design protein -NB7 | | Authors: | Wang, S, Liu, Y. | | Deposit date: | 2023-08-02 | | Release date: | 2024-08-07 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | De novo protein design with a denoising diffusion network independent of pretrained structure prediction models.
Nat.Methods, 21, 2024
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8KC5
 | | De novo design protein -T09 | | Descriptor: | De novo design protein -T09 | | Authors: | Wang, S, Liu, Y. | | Deposit date: | 2023-08-06 | | Release date: | 2024-08-07 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | De novo protein design with a denoising diffusion network independent of pretrained structure prediction models.
Nat.Methods, 21, 2024
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8KCK
 | | De novo design protein -N9 | | Descriptor: | De novo design protein -N9 | | Authors: | Wang, S, Liu, Y. | | Deposit date: | 2023-08-07 | | Release date: | 2024-08-14 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | De novo protein design with a denoising diffusion network independent of pretrained structure prediction models.
Nat.Methods, 21, 2024
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