Current Protein Identity：Q04206
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Difference tags compare only the current result set; every original PDB and assembly record remains separate.
Related-Structure Differences
Each row represents one biological assembly in one PDB entry; multiple monomers of the same protein are listed separately.
| PDB Entry | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Experimental Method | Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1NFI I-KAPPA-B-ALPHA/NF-KAPPA-B COMPLEX Deposited 1998-08-25 | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain A
20–320（301 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 5；pH 5.0
|
Resolution 2.70 Å R-free 0.265 |
| 1NFI I-KAPPA-B-ALPHA/NF-KAPPA-B COMPLEX Deposited 1998-08-25 | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain C
20–320（301 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 5；pH 5.0
|
Resolution 2.70 Å R-free 0.265 |
| 2LSP solution structures of BRD4 second bromodomain with NF-kB-K310ac peptide Deposited 2012-05-03 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
304–316（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule | SOLUTION NMR |
NMR measurement conditions
pH 6.5；298 K；Pressure ambient
NMR sample composition
100 mM sodium phosphate, 5 mM [U-100% 2H] DTT, 100% D2O | 100% D2O
NMR sample composition
100 mM sodium phosphate, 5 mM [U-100% 2H] DTT, 90% H2O/10% D2O | 90% H2O/10% D2O
|
Resolution not provided |
| 2O61 Crystal Structure of NFkB, IRF7, IRF3 bound to the interferon-b enhancer Deposited 2006-12-06 | Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: tetrameric（4） Consistent with all polymers |
Chain A
20–291（272 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；294 K；100 mM HEPES, pH 7.0, 15% (w/v) PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
Resolution 2.80 Å R-free 0.278 |
| 3GUT Crystal structure of a higher-order complex of p50:RelA bound to the HIV-1 LTR Deposited 2009-03-30 | Assembly 1 Protein–DNA Heteromer；Protein × 4 PDB declaration: hexameric（6） Consistent with all polymers |
Chain A
20–291（272 aa）
Fragment：UNP residues 20-291
Chain C
20–291（272 aa）
Fragment：UNP residues 20-291
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.3；289 K；50mM BTP pH 6.3, 50mM CaCl2, 7% w/v PEG 3000, 1mM Spermine, 10mM DTT, 8% v/v Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 289K
|
Resolution 3.59 Å R-free 0.301 |
| 3GUT Crystal structure of a higher-order complex of p50:RelA bound to the HIV-1 LTR Deposited 2009-03-30 | Assembly 2 Protein–DNA Heteromer；Protein × 4 PDB declaration: hexameric（6） Consistent with all polymers |
Chain E
20–291（272 aa）
Fragment：UNP residues 20-291
Chain G
20–291（272 aa）
Fragment：UNP residues 20-291
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.3；289 K；50mM BTP pH 6.3, 50mM CaCl2, 7% w/v PEG 3000, 1mM Spermine, 10mM DTT, 8% v/v Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 289K
|
Resolution 3.59 Å R-free 0.301 |
| 3QXY Human SETD6 in complex with RelA Lys310 Deposited 2011-03-02 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain P
302–316（15 aa）
Fragment：UNP Q04206 residues 302-316
|
Not recorded | SAM S-ADENOSYLMETHIONINE × 1 EDO 1,2-ETHANEDIOL × 11 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；289 K；15% (w/v) polyethylene glycol (PEG) 3350, 0.1 M di-ammonium hydrogen citrate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 289K
|
Resolution 2.09 Å R-free 0.229 |
| 3QXY Human SETD6 in complex with RelA Lys310 Deposited 2011-03-02 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain Q
302–316（15 aa）
Fragment：UNP Q04206 residues 302-316
|
Not recorded | SAM S-ADENOSYLMETHIONINE × 1 EDO 1,2-ETHANEDIOL × 6 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；289 K；15% (w/v) polyethylene glycol (PEG) 3350, 0.1 M di-ammonium hydrogen citrate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 289K
|
Resolution 2.09 Å R-free 0.229 |
| 3RC0 Human SETD6 in complex with RelA Lys310 peptide Deposited 2011-03-30 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain P
302–316（15 aa）
Fragment：UNP Q04206 residues 302-316
|
Not recorded | EDO 1,2-ETHANEDIOL × 10 SAM S-ADENOSYLMETHIONINE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 4.6；289 K；15% (w/v) polyethylene glycol (PEG) 3350, 0.1 M di-ammonium hydrogen citrate, pH 4.6, VAPOR DIFFUSION, temperature 289K
|
Resolution 2.19 Å R-free 0.234 |
| 3RC0 Human SETD6 in complex with RelA Lys310 peptide Deposited 2011-03-30 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain Q
302–316（15 aa）
Fragment：UNP Q04206 residues 302-316
|
Not recorded | EDO 1,2-ETHANEDIOL × 6 SAM S-ADENOSYLMETHIONINE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 4.6；289 K；15% (w/v) polyethylene glycol (PEG) 3350, 0.1 M di-ammonium hydrogen citrate, pH 4.6, VAPOR DIFFUSION, temperature 289K
|
Resolution 2.19 Å R-free 0.234 |
| 4KV1 Crystal Structure of Brd4 Bromodomain 1 in Complex with Acetylated Rel Peptide Deposited 2013-05-22 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
308–314（7 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；273 K；20% PEG 3350, 0.2 M NaNO3, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 273K
|
Resolution 1.50 Å R-free 0.222 |
| 4KV1 Crystal Structure of Brd4 Bromodomain 1 in Complex with Acetylated Rel Peptide Deposited 2013-05-22 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain D
308–314（7 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；273 K；20% PEG 3350, 0.2 M NaNO3, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 273K
|
Resolution 1.50 Å R-free 0.222 |
| 4KV4 Brd4 Bromodomain 2 in Complex with Acetylated Rel Peptide Deposited 2013-05-22 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
308–314（7 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；278 K；2.5 M (NH4)2SO4, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 2.00 Å R-free 0.258 |
| 5U4K NMR structure of the complex between the KIX domain of CBP and the transactivation domain 1 of p65 Deposited 2016-12-05 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
521–551（31 aa）
Fragment：transactivation domain 1 (UNP residues 521-551)
|
Not recorded | No recorded non-water small molecule | SOLUTION NMR |
NMR measurement conditions
pH 6.5；298 K；Ionic strength (raw mmCIF value) 0；Pressure 1
NMR sample composition
0.8 mM [U-99% 13C; U-99% 15N] p65 TA1, 2.4 mM KIX domain, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
0.8 mM [U-99% 13C; U-99% 15N] p65 TA1, 2.4 mM CBP-KIX, 100% D2O | 100% D2O
NMR sample composition
0.8 mM [U-99% 13C; U-99% 15N] CBP-KIX, 2.4 mM p65 TA1, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
0.8 mM [U-99% 13C; U-99% 15N] CBP-KIX, 2.4 mM p65 TA1, 100% D2O | 100% D2O
|
Resolution not provided |
| 5URN NMR structure of the complex between the PH domain of the Tfb1 subunit from TFIIH and the transactivation domain 1 of p65 Deposited 2017-02-11 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
521–551（31 aa）
Fragment：TRANSACTIVATION DOMAIN 1, UNP RESIDUES 521-551
|
Mutation：L523Y | No recorded non-water small molecule | SOLUTION NMR |
NMR measurement conditions
pH 6.5；298 K；Ionic strength (raw mmCIF value) 0；Pressure AMBIENT
NMR sample composition
0.8 mM [U-99% 13C; U-99% 15N] RNA POLYMERASE II TRANSCRIPTION FACTOR B SUBUNIT 1, 1.6 mM TRANSCRIPTION FACTOR P65, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
0.8 mM [U-99% 13C; U-99% 15N] TRANSCRIPTION FACTOR P65, 1.6 mM RNA POLYMERASE II TRANSCRIPTION FACTOR B SUBUNIT 1, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
0.8 mM [U-99% 13C; U-99% 15N] RNA POLYMERASE II TRANSCRIPTION FACTOR B SUBUNIT 1, 1.6 mM TRANSCRIPTION FACTOR P65, 100% D2O | 100% D2O
NMR sample composition
0.8 mM [U-99% 13C; U-99% 15N] TRANSCRIPTION FACTOR P65, 1.6 mM RNA POLYMERASE II TRANSCRIPTION FACTOR B SUBUNIT 1, 100% D2O | 100% D2O
|
Resolution not provided |
| 6QHL 14-3-3 sigma with RelA/p65 binding site pS45 Deposited 2019-01-16 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
38–51（14 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | GOL GLYCEROL × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 28% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.20 Å R-free 0.164 |
| 7BI3 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-179 Deposited 2021-01-12 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | TQW 4-[(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde × 2 GOL GLYCEROL × 2 CA CALCIUM ION × 4 CL CHLORIDE ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.20 Å R-free 0.192 |
| 7BIQ 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-180 Deposited 2021-01-13 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | TVB 4-[[(2~{R})-2-methyl-3,4-dihydro-2~{H}-quinolin-1-yl]sulfonyl]benzaldehyde × 2 CA CALCIUM ION × 6 CL CHLORIDE ION × 4 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.20 Å R-free 0.179 |
| 7BIW 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-187 Deposited 2021-01-13 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | TW8 4-(3,4-dihydro-2~{H}-quinoxalin-1-ylsulfonyl)benzaldehyde × 2 CA CALCIUM ION × 4 CL CHLORIDE ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.20 Å R-free 0.194 |
| 7BIY 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-175 Deposited 2021-01-13 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 2 TWE 1-(4-methanoylphenyl)carbonylpiperidine-4-carbonitrile × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.80 Å R-free 0.227 |
| 7BJB 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-044 Deposited 2021-01-14 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 2 TZK 4-(4-methylphenyl)sulfonylmorpholine × 2 GOL GLYCEROL × 2 CA CALCIUM ION × 4 MG MAGNESIUM ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.80 Å R-free 0.211 |
| 7BJF 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-069 Deposited 2021-01-14 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 2 TZH 5-methyl-2-nitrophenyl cyclobutanecarboxylate × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.40 Å R-free 0.198 |
| 7BJL 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-142 Deposited 2021-01-14 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | TWQ 3-[(3S)-3-methoxypiperidin-1-yl]-4-nitrobenzaldehyde × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.40 Å R-free 0.193 |
| 7BJW 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-154 Deposited 2021-01-14 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | TZW 3-(4-hydroxypiperidin-1-yl)-4-nitrobenzaldehyde × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.40 Å R-free 0.192 |
| 7BKH 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-153 Deposited 2021-01-16 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | U1B 4-nitro-3-[(3S)-3-oxidanylpiperidin-1-yl]benzaldehyde × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.40 Å R-free 0.197 |
| 7LET Structure of importin a2 bound to the p50- and p65-NLSs Deposited 2021-01-15 | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain C
294–315（22 aa）
Fragment：Nuclear localization signal motif, residues 294-315
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；0.6 Na Citrate, 100 mM HEPES pH 6
|
Resolution 2.40 Å R-free 0.241 |
| 7LEU Structure of importin a2 bound to p65-NLS Deposited 2021-01-15 | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain B
294–315（22 aa）
Fragment：Nuclear localization signal motif, residues 294-315
Chain C
294–315（22 aa）
Fragment：Nuclear localization signal motif, residues 294-315
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；0.55M Na citrate, 100mM HEPES pH 6.0
|
Resolution 2.82 Å R-free 0.236 |
| 7LF4 Structure of importin a3 bound to the p50- and p65-NLSs Deposited 2021-01-15 | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain E
294–315（22 aa）
Fragment：Nuclear localization signal motif, residues 294-315
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.2 M ammonium sulfate, 0.1 M BIS-TRIS pH 6.5, 25% PEG 3350
|
Resolution 2.85 Å R-free 0.238 |
| 7LF4 Structure of importin a3 bound to the p50- and p65-NLSs Deposited 2021-01-15 | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain D
294–315（22 aa）
Fragment：Nuclear localization signal motif, residues 294-315
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.2 M ammonium sulfate, 0.1 M BIS-TRIS pH 6.5, 25% PEG 3350
|
Resolution 2.85 Å R-free 0.238 |
| 7NJ9 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-133 Deposited 2021-02-16 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | UGE 4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde × 2 PEG DI(HYDROXYETHYL)ETHER × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.40 Å R-free 0.191 |
| 7NJB 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-132 Deposited 2021-02-16 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Mutation：E49R Non-standard monomer：Yes (specific site not provided by mmCIF) | GOL GLYCEROL × 2 CL CHLORIDE ION × 2 UG8 4-piperidin-1-ylsulfonylbenzaldehyde × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.40 Å R-free 0.186 |
| 7NK3 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-128 Deposited 2021-02-17 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Mutation：R49E Non-standard monomer：Yes (specific site not provided by mmCIF) | UGQ 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1~{H}-isoquinoline × 2 CL CHLORIDE ION × 2 CA CALCIUM ION × 2 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.40 Å R-free 0.193 |
| 7NK5 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-124 Deposited 2021-02-17 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Mutation：E49R Non-standard monomer：Yes (specific site not provided by mmCIF) | UGN 1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine × 2 CA CALCIUM ION × 2 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.40 Å R-free 0.190 |
| 7NLA 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-119 Deposited 2021-02-22 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 2 CA CALCIUM ION × 2 UHT ~{N}-cyclohexyl-4-methanoyl-~{N}-methyl-benzenesulfonamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.40 Å R-free 0.202 |
| 7NLE 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-118 Deposited 2021-02-22 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 2 GOL GLYCEROL × 2 UHW 4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.40 Å R-free 0.227 |
| 7NM1 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-126 Deposited 2021-02-23 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | UHN 4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzaldehyde × 2 CA CALCIUM ION × 2 CL CHLORIDE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.40 Å R-free 0.213 |
| 7NM3 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-135 Deposited 2021-02-23 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | UHQ 4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde × 2 GOL GLYCEROL × 4 CA CALCIUM ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.40 Å R-free 0.198 |
| 7NM9 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-110 Deposited 2021-02-23 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | S9E 6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde × 2 PEG DI(HYDROXYETHYL)ETHER × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.70 Å R-free 0.277 |
| 7NMH 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-070 Deposited 2021-02-23 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | GOL GLYCEROL × 2 CA CALCIUM ION × 2 UHZ (5-methanoyl-2-nitro-phenyl) methanesulfonate × 2 CL CHLORIDE ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.40 Å R-free 0.206 |
| 7NQP 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound LvD1009 Deposited 2021-03-02 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | TJ8 2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde × 2 MG MAGNESIUM ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.24 Å R-free 0.217 |
| 7NR7 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-111 Deposited 2021-03-03 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | UON 4-(2-chloranyl-5-methoxy-benzimidazol-1-yl)benzaldehyde × 2 UOT 4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde × 2 PEG DI(HYDROXYETHYL)ETHER × 2 CL CHLORIDE ION × 2 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.40 Å R-free 0.222 |
| 7NSV 14-3-3 sigma with p65 (RelA) binding site pS45 and covalently bound PC2046 Deposited 2021-03-08 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | UQN 1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole × 2 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.33 Å R-free 0.213 |
| 7NV4 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-188 Deposited 2021-03-15 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | UST 4-(2,3-dihydroindol-1-ylsulfonyl)benzaldehyde × 2 CL CHLORIDE ION × 4 MG MAGNESIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.20 Å R-free 0.194 |
| 7NVI 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-186 Deposited 2021-03-15 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | USW 4-[(7-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde × 2 CL CHLORIDE ION × 4 MG MAGNESIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.20 Å R-free 0.195 |
| 7NWS 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-185 Deposited 2021-03-17 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | UT8 4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde × 2 CL CHLORIDE ION × 4 PEG DI(HYDROXYETHYL)ETHER × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.20 Å R-free 0.202 |
| 7NXS 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-184 Deposited 2021-03-19 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | UVK 4-[(6-fluoranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde × 2 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.20 Å R-free 0.195 |
| 7NXT 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-183 Deposited 2021-03-19 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | UVE 4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)benzaldehyde × 2 CL CHLORIDE ION × 4 MG MAGNESIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.20 Å R-free 0.195 |
| 7NXW 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-182 Deposited 2021-03-19 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | UVZ 4-[(6-chloranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde × 2 CL CHLORIDE ION × 4 MG MAGNESIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.20 Å R-free 0.199 |
| 7NXY 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-181 Deposited 2021-03-19 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | UVQ 4-[(6-fluoranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde × 2 CL CHLORIDE ION × 4 MG MAGNESIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.20 Å R-free 0.205 |
| 7NY4 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-130 Deposited 2021-03-20 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | UVN 4-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzaldehyde × 2 CL CHLORIDE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.40 Å R-free 0.187 |
| 7NYE 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-134 Deposited 2021-03-22 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | UVH 4-(4-propan-2-ylpiperazin-1-yl)sulfonylbenzaldehyde × 2 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.40 Å R-free 0.197 |
| 7NYF 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-131 Deposited 2021-03-22 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | UVB 4-[(3~{S})-3-oxidanylpiperidin-1-yl]sulfonylbenzaldehyde × 2 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.40 Å R-free 0.194 |
| 7NYG 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-127 Deposited 2021-03-22 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | UVT 4-[(2~{S})-2-methylpyrrolidin-1-yl]sulfonylbenzaldehyde × 2 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 2 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.40 Å R-free 0.203 |
| 7NZ6 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-125 Deposited 2021-03-23 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | UWH 4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylbenzaldehyde × 2 CA CALCIUM ION × 2 CL CHLORIDE ION × 2 GOL GLYCEROL × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.40 Å R-free 0.213 |
| 7NZG 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-122 Deposited 2021-03-24 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | UWQ 4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde × 2 CA CALCIUM ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.40 Å R-free 0.188 |
| 7NZK 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-121 Deposited 2021-03-24 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | UWK 4-[(3~{R})-3-methoxypiperidin-1-yl]sulfonylbenzaldehyde × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.40 Å R-free 0.195 |
| 7NZV 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-120 Deposited 2021-03-24 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | UXN 4-methanoyl-N-methyl-N-(oxan-4-yl)benzenesulfonamide × 2 CL CHLORIDE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.40 Å R-free 0.263 |
| 7O34 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-043 Deposited 2021-04-01 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | V0Q [4-(4-ethylpiperazin-1-yl)sulfonylphenyl]methanol × 2 MG MAGNESIUM ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.20 Å R-free 0.206 |
| 7O3A 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-046 Deposited 2021-04-01 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 4 V0T 1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol × 2 CA CALCIUM ION × 2 GOL GLYCEROL × 2 PEG DI(HYDROXYETHYL)ETHER × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.20 Å R-free 0.202 |
| 7O3F 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-117 Deposited 2021-04-01 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | V0W 1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane × 2 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 2 GOL GLYCEROL × 6 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.40 Å R-free 0.225 |
| 7O3P 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-116 Deposited 2021-04-02 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 4 CA CALCIUM ION × 2 GOL GLYCEROL × 2 PEG DI(HYDROXYETHYL)ETHER × 2 V1K 2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.40 Å R-free 0.198 |
| 7O3Q 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-041 Deposited 2021-04-02 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 6 V1Q 4-methyl-~{N}-(1-methylpyrazol-3-yl)benzenesulfonamide × 2 PEG DI(HYDROXYETHYL)ETHER × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.80 Å R-free 0.215 |
| 7O3R 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-042 Deposited 2021-04-02 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 4 V1E ~{N},~{N},4-trimethylbenzenesulfonamide × 2 CA CALCIUM ION × 2 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.80 Å R-free 0.215 |
| 7O3S 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-045 Deposited 2021-04-02 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 4 V1H 3-methoxy-1-(4-methylphenyl)sulfonyl-azetidine × 2 MG MAGNESIUM ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 2.00 Å R-free 0.201 |
| 7O57 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-157 Deposited 2021-04-08 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | V2E 3-morpholin-4-yl-4-nitro-benzaldehyde × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.40 Å R-free 0.191 |
| 7O59 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-192 Deposited 2021-04-08 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | V2N 4-(6-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde × 2 V2K 4-(5-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde × 2 CL CHLORIDE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.20 Å R-free 0.202 |
| 7O5A 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-158 Deposited 2021-04-08 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 2 V2Q 4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.80 Å R-free 0.239 |
| 7O5C 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-159 Deposited 2021-04-08 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 2 V2T 4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide × 2 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.80 Å R-free 0.227 |
| 7O5D 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-160 Deposited 2021-04-08 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 4 V2W 4-methanoyl-~{N}-[(4-methoxyphenyl)methyl]benzamide × 2 MG MAGNESIUM ION × 2 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.80 Å R-free 0.205 |
| 7O5F 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-161 Deposited 2021-04-08 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 4 V32 4-morpholin-4-ylcarbonylbenzaldehyde × 2 MG MAGNESIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.80 Å R-free 0.220 |
| 7O5G 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-164 Deposited 2021-04-08 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 4 V3B 4-(4-methanoylphenyl)carbonyl-~{N},~{N}-dimethyl-piperazine-1-carboxamide × 2 PEG DI(HYDROXYETHYL)ETHER × 4 MG MAGNESIUM ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.80 Å R-free 0.220 |
| 7O5O 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-165 Deposited 2021-04-09 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 4 V3K 4-methanoyl-~{N}-[(1-methylpyrazol-4-yl)methyl]benzamide × 2 GOL GLYCEROL × 2 CA CALCIUM ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.80 Å R-free 0.214 |
| 7O5P 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-166 Deposited 2021-04-09 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 2 V3N 4-methanoyl-~{N}-(oxan-4-ylmethyl)benzamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.80 Å R-free 0.215 |
| 7O5S 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-167 Deposited 2021-04-09 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 4 V3Q 4-methanoyl-~{N}-[(3-methoxyphenyl)methyl]benzamide × 2 MG MAGNESIUM ION × 2 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.80 Å R-free 0.213 |
| 7O5U 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-168 Deposited 2021-04-09 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 4 V3T 4-methanoyl-~{N}-[(1-methylimidazol-2-yl)methyl]benzamide × 2 CA CALCIUM ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.80 Å R-free 0.223 |
| 7O5X 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-173 Deposited 2021-04-09 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 4 V3W 4-(4-methoxypiperidin-1-yl)carbonylbenzaldehyde × 2 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.80 Å R-free 0.219 |
| 7O6F 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-178 Deposited 2021-04-11 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 4 V4K 4-[4-(2-hydroxyethyl)piperidin-1-yl]carbonylbenzaldehyde × 2 CA CALCIUM ION × 2 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 2.00 Å R-free 0.216 |
| 7O6G 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-176 Deposited 2021-04-11 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 4 V4H 4-[(3~{R})-3-oxidanylpiperidin-1-yl]carbonylbenzaldehyde × 2 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.80 Å R-free 0.216 |
| 7O6I 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-085 Deposited 2021-04-11 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 4 V4B [5-methanoyl-2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl] 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate × 2 CA CALCIUM ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.80 Å R-free 0.216 |
| 7O6J 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-083 Deposited 2021-04-11 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | V48 (5-methanoyl-2-nitro-phenyl) 2-(3-methoxyphenyl)ethanoate × 6 CL CHLORIDE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.40 Å R-free 0.182 |
| 7O6K 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-080 Deposited 2021-04-11 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | V4N (5-methanoyl-2-nitro-phenyl) 3-chloranylbenzoate × 2 CL CHLORIDE ION × 2 CA CALCIUM ION × 2 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.40 Å R-free 0.189 |
| 7O6M 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-097 Deposited 2021-04-11 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | V42 (5-methanoyl-2-nitro-phenyl) 1-methylpyrazole-4-sulfonate × 2 CA CALCIUM ION × 2 CL CHLORIDE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.40 Å R-free 0.201 |
| 7O6O 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-096 Deposited 2021-04-11 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain P
39–51（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | V3Z (5-methanoyl-2-nitro-phenyl) propane-2-sulfonate × 2 CL CHLORIDE ION × 2 CA CALCIUM ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol
|
Resolution 1.40 Å R-free 0.209 |