Endolysin
Enterobacteria phage T4
State in the Current Structure
| Assembly | Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Associated Components | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|
| 1 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain A； UniProt 1–164 | Mutation：C54T, K65C, C97A | CL CHLORIDE ION × 2 MTN S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate × 1 HED 2-HYDROXYETHYL DISULFIDE × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 6.8；298 K；2.0M Na/K phosphate | Resolution 2.00 Å R-free 0.182 |
Other States of the Same Protein in the Database
Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.
| Other PDB | Difference from Current Entry 6PGY | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 4PJZ CRYSTAL STRUCTURE OF T4 LYSOZYME-GSS-PEPTIDE IN COMPLEX WITH TEICOPLANIN-A2-2 Deposited 2014-05-13 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–164（164 aa）
|
Mutation：C54T/C97A Non-standard monomer：Yes (specific site not provided by mmCIF) | GCS 2-amino-2-deoxy-beta-D-glucopyranose × 1 T55 8-METHYLNONANOIC ACID × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 MAN alpha-D-mannopyranose × 1 PO4 PHOSPHATE ION × 2 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；19% PEG 3350 ,0.2 M sodium potassium phosphate
|
Resolution 1.87 Å R-free 0.228 |
| 4PK0 CRYSTAL STRUCTURE OF T4 LYSOZYME-PEPTIDE IN COMPLEX WITH TEICOPLANIN-A2-2 Deposited 2014-05-13 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–164（164 aa）
|
Mutation：C54T/C97A Non-standard monomer：Yes (specific site not provided by mmCIF) | GCS 2-amino-2-deoxy-beta-D-glucopyranose × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 MAN alpha-D-mannopyranose × 1 T55 8-METHYLNONANOIC ACID × 1 CL CHLORIDE ION × 1 NA SODIUM ION × 1 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；19% PEG 3350, 0.2 M sodium potassium phosphate
|
Resolution 2.30 Å R-free 0.237 |
| 4PLA Crystal structure of phosphatidyl inositol 4-kinase II alpha in complex with ATP Deposited 2014-05-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–164（163 aa）
|
Not recorded | ATP ADENOSINE-5'-TRIPHOSPHATE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；8% PEG 4000, 150 mM (NH4)2SO4, 100 mM MES, pH = 6.5, 10 mM betaine
|
Resolution 2.77 Å R-free 0.251 |
| 4QKX Structure of beta2 adrenoceptor bound to a covalent agonist and an engineered nanobody Deposited 2014-06-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
2–161（160 aa）
|
Mutation：C919T, C962A, H1093C, M1096T, M1098T, N1187E, C1265A | NA SODIUM ION × 2 35V 4-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]benzene-1,2-diol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 7.8；293 K；24-27 % PEG400, 100 mM Tris pH 7.8 to pH 8.4, 5-10 mM Sodium formate, lipidic cubic phase, temperature 293K
|
Resolution 3.30 Å R-free 0.280 |
| 4S0W Wild type T4 lysozyme structure Deposited 2015-01-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–164（164 aa）
Chain B
1–164（164 aa）
|
Not recorded | SO4 SULFATE ION × 4 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 2 CL CHLORIDE ION × 3 GOL GLYCEROL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
BATCH UNDER OIL；pH 7.5；296 K；0.5 M ammonium sulfate, 0.1 M HEPES, 30% MPD, pH 7.5, BATCH UNDER OIL, temperature 296K
|
Resolution 2.12 Å R-free 0.217 |
| 4S0W Wild type T4 lysozyme structure Deposited 2015-01-07 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Not recorded | SO4 SULFATE ION × 3 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 CL CHLORIDE ION × 2 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
BATCH UNDER OIL；pH 7.5；296 K；0.5 M ammonium sulfate, 0.1 M HEPES, 30% MPD, pH 7.5, BATCH UNDER OIL, temperature 296K
|
Resolution 2.12 Å R-free 0.217 |
| 4S0W Wild type T4 lysozyme structure Deposited 2015-01-07 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–164（164 aa）
|
Not recorded | SO4 SULFATE ION × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
BATCH UNDER OIL；pH 7.5；296 K；0.5 M ammonium sulfate, 0.1 M HEPES, 30% MPD, pH 7.5, BATCH UNDER OIL, temperature 296K
|
Resolution 2.12 Å R-free 0.217 |
| 4U15 M3-mT4L receptor bound to tiotropium Deposited 2014-07-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
61–161（101 aa）
Fragment：UNP P08483 residues 57-259, 482-563, UNP D9IEF7 residues 61-161
|
Not recorded | 0HK (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane × 1 P6G HEXAETHYLENE GLYCOL × 3 TAR D(-)-TARTARIC ACID × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；The best crystallization condition was 100 mM Tris pH 7.5, 44% PEG 300 and 400 mM ammonium tartrate.
|
Resolution 2.80 Å R-free 0.261 |
| 4U15 M3-mT4L receptor bound to tiotropium Deposited 2014-07-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
61–161（101 aa）
Fragment：UNP P08483 residues 57-259, 482-563, UNP D9IEF7 residues 61-161
|
Not recorded | 0HK (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane × 1 P6G HEXAETHYLENE GLYCOL × 1 TAR D(-)-TARTARIC ACID × 2 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；The best crystallization condition was 100 mM Tris pH 7.5, 44% PEG 300 and 400 mM ammonium tartrate.
|
Resolution 2.80 Å R-free 0.261 |
| 4U15 M3-mT4L receptor bound to tiotropium Deposited 2014-07-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
61–161（101 aa）
Fragment：UNP P08483 residues 57-259, 482-563, UNP D9IEF7 residues 61-161
Chain B
61–161（101 aa）
Fragment：UNP P08483 residues 57-259, 482-563, UNP D9IEF7 residues 61-161
|
Not recorded | 0HK (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane × 2 P6G HEXAETHYLENE GLYCOL × 4 TAR D(-)-TARTARIC ACID × 4 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；The best crystallization condition was 100 mM Tris pH 7.5, 44% PEG 300 and 400 mM ammonium tartrate.
|
Resolution 2.80 Å R-free 0.261 |
| 4U16 M3-mT4L receptor bound to NMS Deposited 2014-07-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
61–161（101 aa）
Fragment：UNP P08483 residues 57-259, 482-563, UNP D9IEF7 residues 61-161
|
Not recorded | TAR D(-)-TARTARIC ACID × 1 3C0 N-methyl scopolamine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；The best crystallization condition was 100 mM Tris pH 7.5, 44% PEG 300 and 400 mM ammonium tartrate.
|
Resolution 3.70 Å R-free 0.285 |
| 4U16 M3-mT4L receptor bound to NMS Deposited 2014-07-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
61–161（101 aa）
Fragment：UNP P08483 residues 57-259, 482-563, UNP D9IEF7 residues 61-161
|
Not recorded | TAR D(-)-TARTARIC ACID × 2 3C0 N-methyl scopolamine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；The best crystallization condition was 100 mM Tris pH 7.5, 44% PEG 300 and 400 mM ammonium tartrate.
|
Resolution 3.70 Å R-free 0.285 |
| 4XSJ Crystal structure of the N-terminal domain of the human mitochondrial calcium uniporter fused with T4 lysozyme Deposited 2015-01-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–161（161 aa）
Fragment：UNP RESIDUES 1-161,UNP RESIDUES 75-165
|
Mutation：D20N, C54T, C97A | SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；20% PEG 3350, 5% glycerol, 0.3 M ammonium sulphate and 0.1 M Bis-Tris-HCl (pH 5.5)
|
Resolution 1.80 Å R-free 0.190 |
| 4YC4 Crystal structure of phosphatidyl inositol 4-kinase II alpha in complex with nucleotide analog Deposited 2015-02-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–164（163 aa）
|
Not recorded | M59 [(1S,3S,4S)-3-(6-amino-9H-purin-9-yl)bicyclo[2.2.1]hept-1-yl]methanol × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；100 mM HEPES pH = 7.0, 10% w/v PEG 4000, 10% v/v 2-propanol
|
Resolution 2.58 Å R-free 0.256 |
| 5BZ6 Crystal structure of the N-terminal domain single mutant (S92A) of the human mitochondrial calcium uniporter fused with T4 lysozyme Deposited 2015-06-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–161（161 aa）
|
Mutation：D20N, C54T, C97A, S1092A | SO4 SULFATE ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；25% PEG 3350, 0.1M Bis-Tris-HCl (pH 6.5), 0.2M ammonium sulfate
|
Resolution 2.75 Å R-free 0.234 |
| 5I0N PI4K IIalpha bound to calcium Deposited 2016-02-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–164（163 aa）
|
Not recorded | ATP ADENOSINE-5'-TRIPHOSPHATE × 2 CA CALCIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；295 K；12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD, 0.1 M bicine/Trizma base pH 8.5
|
Resolution 2.28 Å R-free 0.258 |
| 5KW2 The extra-helical binding site of GPR40 and the structural basis for allosteric agonism and incretin stimulation Deposited 2016-07-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–161（160 aa）
|
Not recorded | 6XQ (3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；298 K；0.1 M Tris HCl, pH 8.5, 30% PEG 400, 0.2 M ammonium formate.
|
Resolution 2.76 Å R-free 0.273 |
| 5NDD Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in complex with AZ8838 at 2.8 angstrom resolution Deposited 2017-03-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–161（160 aa）
|
Mutation：G89A, H108A, G157A, M166L, Y174A, V176E, N222Q, M268A,I289A, L293A | 8TZ (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol × 1 NA SODIUM ION × 1 PO4 PHOSPHATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.8；293 K；0.1 M sodium citrate/citrate acid pH 5.5-6.2, 0.2 M ammonium phosphate dibasic, 38-43 % (w/v) PEG400 and 1 mM AZ8838
|
Resolution 2.80 Å R-free 0.264 |
| 5NDZ Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in complex with AZ3451 at 3.6 angstrom resolution Deposited 2017-03-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–161（160 aa）
|
Mutation：;G89A, H108A, G157A, M166L, Y174A, V176E, N222Q, M268A, I289A, L293A,G89A, H108A, G157A, M166L, Y174A, V176E, N222Q, M268A, I289A, L293A,G89A, H108A, G157A, M166L, Y174A, V176E, N222Q, M268A, I289A, L293A,G89A, H108A, G157A, M166L, Y174A, V176E, N222Q, M268A, I289A, L293A ; | 8UN 2-(6-bromanyl-1,3-benzodioxol-5-yl)-~{N}-(4-cyanophenyl)-1-[(1~{S})-1-cyclohexylethyl]benzimidazole-5-carboxamide × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.8；293 K；0.1 M sodium citrate/citrate acid pH 5.5-6.2, 0.2 M ammonium phosphate dibasic, 38-43 % (w/v) PEG400
|
Resolution 3.60 Å R-free 0.291 |
| 5NX0 Structure of Spin-labelled T4 lysozyme mutant L115C-R119C-R1 at room temperature Deposited 2017-05-09 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：Cys115, Cys119 | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.2；277 K；2.0 M K2HPO4/NAH2PO4, 250 MM NACL, 0.04 % AZIDE, 20 MM
DITHIODIETHANOL, PH 7.2
|
Resolution 1.80 Å R-free 0.209 |
| 5T1A Structure of CC Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists Deposited 2016-08-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–162（161 aa）
Fragment：UNP P41597-2 residues 2-328 with UNP P00720 residues 2-161 inserted after residues 233
|
Mutation：L226S, K227R, T228A, L229S, L230K, R231S, C232R, R233I, N234P, E235P, K236S, K237R, R238E, H238K, R239K, C1054T, C1097A Non-standard monomer：Yes (specific site not provided by mmCIF) | 73R (3S)-1-{(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl}-3-{[6-(trifluoromethyl)quinazolin-4-yl]amino}pyrrolidin-2-one × 1 VT5 (2~{R})-1-(4-chloranyl-2-fluoranyl-phenyl)-2-cyclohexyl-3-ethanoyl-4-oxidanyl-2~{H}-pyrrol-5-one × 1 SO4 SULFATE ION × 4 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 6.1；295 K；Lipidic cubic phase made of monoolein and cholesterol, 100 mM 2-(N-morpholino)ethanesulfonic acid, pH 6.5, 30-32% (v/v) PEG 400, 75-85 mM lithium sulfate
|
Resolution 2.81 Å R-free 0.274 |
| 5V7D T4 lysozyme Y18Ymbr Deposited 2017-03-20 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HED 2-HYDROXYETHYL DISULFIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；2.4 M Potassium phosphate, 50 mM 2-Hydroxyethyl disulfide, 50 mM 2-Mercaptoethanol
|
Resolution 1.35 Å R-free 0.214 |
| 5V7E T4 lysozyme Y18Ymcl Deposited 2017-03-20 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HED 2-HYDROXYETHYL DISULFIDE × 1 NA SODIUM ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；291 K；2.4 M Potassium phosphate, 50 mM 2-hydroxyethyl disulfide, 50 mM 2-mercaptoethanol
|
Resolution 1.36 Å R-free 0.205 |
| 5V7F T4 lysozyme Y18Ymi Deposited 2017-03-20 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HED 2-HYDROXYETHYL DISULFIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；291 K；2.2 M Potassium phosphate, 50 mM 2-Mercaptoethanol, 50 mM 2-Hydroxyethyl disulfide
|
Resolution 1.65 Å R-free 0.232 |
| 5V83 Structure of DCN1 bound to NAcM-HIT Deposited 2017-03-21 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Not recorded | 8Z7 N-(1-benzylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]urea × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；6% PEG3350, 0.2M NH4Br
|
Resolution 2.00 Å R-free 0.229 |
| 5V86 Structure of DCN1 bound to NAcM-OPT Deposited 2017-03-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
Fragment：residues 62-259
|
Mutation：D127A, R154A | 8ZA N-benzyl-N-(1-butylpiperidin-4-yl)-N'-(3,4-dichlorophenyl)urea × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；6% PEG3350, 0.2M NH4Br
|
Resolution 1.37 Å R-free 0.195 |
| 5V88 Structure of DCN1 bound to NAcM-COV Deposited 2017-03-21 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：D127A, R154A | 8ZD N-{2-[({1-[(2R)-pentan-2-yl]piperidin-4-yl}{[3-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]phenyl}propanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；6% PEG3350, 0.2M NH4Br
|
Resolution 1.60 Å R-free 0.189 |
| 5VBA Structure of EspG1 chaperone from the type VII (ESX-1) secretion system determined with the assistance of N-terminal T4 lysozyme fusion Deposited 2017-03-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–162（161 aa）
Fragment：T4 lysozyme (UNP residues 2-162) + EspG1 (UNP residues 16-271)
|
Mutation：lysozyme: C54T, C97A, K162A, EspG1: V16M, C114A, C170A | CL CHLORIDE ION × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 9；294 K；0.1 M Bicine, pH 9.0, 1.0 M lithium chloride, 10% PEG6000
|
Resolution 2.27 Å R-free 0.251 |
| 5VBA Structure of EspG1 chaperone from the type VII (ESX-1) secretion system determined with the assistance of N-terminal T4 lysozyme fusion Deposited 2017-03-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
2–162（161 aa）
Fragment：T4 lysozyme (UNP residues 2-162) + EspG1 (UNP residues 16-271)
|
Mutation：lysozyme: C54T, C97A, K162A, EspG1: V16M, C114A, C170A | CL CHLORIDE ION × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 9；294 K；0.1 M Bicine, pH 9.0, 1.0 M lithium chloride, 10% PEG6000
|
Resolution 2.27 Å R-free 0.251 |
| 5VNQ Neutron crystallographic structure of perdeuterated T4 lysozyme cysteine-free pseudo-wild type at cryogenic temperature Deposited 2017-05-01 | Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Not recorded | CL CHLORIDE ION × 2 |
NEUTRON DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.2；293 K；~2.0 M Na/K phosphate, pH 6-7, 250 mM NaCl, 40mM 2-hydroxyethyl disulfide
|
Resolution 2.20 Å R-free 0.280 |
| 5VNR X-ray structure of perdeuterated T4 lysozyme cysteine-free pseudo-wild type at cryogenic temperature Deposited 2017-05-01 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：C54T, C97A | PO4 PHOSPHATE ION × 1 NA SODIUM ION × 1 HED 2-HYDROXYETHYL DISULFIDE × 1 CL CHLORIDE ION × 2 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；~2.0 M Na/K phosphate, pH 6-7, 250 mM NaCl, 40mM 2-hydroxyethyl disulfide
|
Resolution 1.63 Å R-free 0.186 |
| 5X7D Structure of beta2 adrenoceptor bound to carazolol and an intracellular allosteric antagonist Deposited 2017-02-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–162（161 aa）
Fragment：UNP P07550 residues 1-230, UNP D9IEF7 residues 2-162, UNP P07550 residues 264-365
|
Mutation：N187E, C1054T, C1097A | EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 2 CLR CHOLESTEROL × 2 8VS 4-carbamoyl-N-[(2R)-2-cyclohexyl-2-phenylacetyl]-L-phenylalanyl-3-bromo-N-methyl-L-phenylalaninamide × 1 CAU (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol × 1 BU1 1,4-BUTANEDIOL × 1 ACM ACETAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 7.5；293 K；0.1 M Tris-HCl, pH 7.5, 30% -37.5% PEG400, 400 mM NH4F, 6% 1,4-butanediol, 1 mM Cmpd-15PA and 1% DMSO.
|
Resolution 2.70 Å R-free 0.268 |
| 5XEZ Structure of the Full-length glucagon class B G protein-coupled receptor Deposited 2017-04-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
2–161（160 aa）
Fragment：UNP RESIDUES 27-256,UNP RESIDUES 2-161,UNP RESIDUES 260-432
|
Mutation：C54T, C97A | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 97V 4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-N-(1H-tetrazol-5-yl)benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100mM HEPES, pH7.0, 300mM potassium phosphate monobasic, 25% PEG500DME, 100mM gly-gly-glycine
|
Resolution 3.00 Å R-free 0.243 |
| 5XEZ Structure of the Full-length glucagon class B G protein-coupled receptor Deposited 2017-04-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
2–161（160 aa）
Fragment：UNP RESIDUES 27-256,UNP RESIDUES 2-161,UNP RESIDUES 260-432
|
Mutation：C54T, C97A | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 97V 4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-N-(1H-tetrazol-5-yl)benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100mM HEPES, pH7.0, 300mM potassium phosphate monobasic, 25% PEG500DME, 100mM gly-gly-glycine
|
Resolution 3.00 Å R-free 0.243 |
| 5XF1 Structure of the Full-length glucagon class B G protein-coupled receptor Deposited 2017-04-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
2–161（160 aa）
Fragment：UNP RESIDUES 27-256,UNP RESIDUES 2-161,UNP RESIDUES 260-432
|
Mutation：C54T, C97A | 97V 4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-N-(1H-tetrazol-5-yl)benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100mM HEPES, pH7.0, 200mM potassium phospphate monobasic, 20% PEG500DME, 10 mM gly-gly-glysine
|
Resolution 3.19 Å R-free 0.231 |
| 5XF1 Structure of the Full-length glucagon class B G protein-coupled receptor Deposited 2017-04-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
2–161（160 aa）
Fragment：UNP RESIDUES 27-256,UNP RESIDUES 2-161,UNP RESIDUES 260-432
|
Mutation：C54T, C97A | 97V 4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-N-(1H-tetrazol-5-yl)benzamide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100mM HEPES, pH7.0, 200mM potassium phospphate monobasic, 20% PEG500DME, 10 mM gly-gly-glysine
|
Resolution 3.19 Å R-free 0.231 |
| 5XPE Neutron structure of the T26H mutant of T4 lysozyme Deposited 2017-06-01 | Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：T26H | NA SODIUM ION × 1 CL CHLORIDE ION × 3 |
Experimental method not declared
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；Sodium-potassium phosphate, Sodium chloride, 1,6-Hexanediol
|
Resolution not provided |
| 5XPF High-resolution X-ray structure of the T26H mutant of T4 lysozyme Deposited 2017-06-01 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：T26H, C54T, C97A | NA SODIUM ION × 3 CL CHLORIDE ION × 5 HEZ HEXANE-1,6-DIOL × 4 GOL GLYCEROL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；Sodium-potassium phosphate, Sodium chloride, 1,6-Hexanediol
|
Resolution 1.04 Å R-free 0.193 |
| 5YQZ Structure of the glucagon receptor in complex with a glucagon analogue Deposited 2017-11-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain R
2–161（160 aa）
|
Mutation：R173A,C1053A, C1096Y | OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 6 PO4 PHOSPHATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 8；293 K；100 mM Tris, pH 8.0, 70-120 mM potassium phosphate dibasic, 27-33% (v/v) PEG 200
|
Resolution 3.00 Å R-free 0.261 |
| 5ZBH The Crystal Structure of Human Neuropeptide Y Y1 Receptor with BMS-193885 Deposited 2018-02-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–161（160 aa）
Fragment：UNP residues 2-241,UNP residues 2-161,UNP residues 250-358
|
Mutation：F129W,C1053T, C1096A | 9AF dimethyl 4-{3-[({3-[4-(3-methoxyphenyl)piperidin-1-yl]propyl}carbamoyl)amino]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 7.4；293 K；0.1M HEPES, pH 7.2-7.6, 20% PEG400
|
Resolution 3.00 Å R-free 0.251 |
| 5ZHP M3 muscarinic acetylcholine receptor in complex with a selective antagonist Deposited 2018-03-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–12（12 aa）
Chain A
61–161（101 aa）
|
Mutation：S154R,C1054A Mutation：S154R,C1054A | PG4 TETRAETHYLENE GLYCOL × 1 9EC (1R,2R,4S,5S,7s)-7-({[4-fluoro-2-(thiophen-2-yl)phenyl]carbamoyl}oxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293.15 K；40-43% PEG300, 300-400 mM ammonium citrate, 0.1M tris-HCI, pH7.5, 1mM 6o,
|
Resolution 3.10 Å R-free 0.267 |
| 5ZHP M3 muscarinic acetylcholine receptor in complex with a selective antagonist Deposited 2018-03-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–12（12 aa）
Chain B
61–161（101 aa）
|
Mutation：S154R,C1054A Mutation：S154R,C1054A | 9EC (1R,2R,4S,5S,7s)-7-({[4-fluoro-2-(thiophen-2-yl)phenyl]carbamoyl}oxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium × 1 P6G HEXAETHYLENE GLYCOL × 1 CIT CITRIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293.15 K；40-43% PEG300, 300-400 mM ammonium citrate, 0.1M tris-HCI, pH7.5, 1mM 6o,
|
Resolution 3.10 Å R-free 0.267 |
| 5ZTY Crystal structure of human G protein coupled receptor Deposited 2018-05-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: dimeric |
Chain A
2–161（160 aa）
Fragment：UNP residues 21-222,UNP residues 1-161,UNP residues 235-352
|
Mutation：G78L, T127A, T153l,C1053T, C1096A,R242E, G304E | 9JU N-(adamantan-1-yl)-1-(5-hydroxypentyl)-4-methyl-5-phenyl-1H-pyrazole-3-carboxamide × 1 OLA OLEIC ACID × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 PEG DI(HYDROXYETHYL)ETHER × 2 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 2 PG4 TETRAETHYLENE GLYCOL × 1 SO4 SULFATE ION × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 6.2；293 K；100mM sodium cacodylate trihydrate pH 6.2, 40% PEG400, 400mM lithium sulfate monohydrate
|
Resolution 2.80 Å R-free 0.275 |
| 6AJF Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis Deposited 2018-08-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–161（160 aa）
|
Mutation：C54T, C97A | MHA (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID × 2 L6T alpha-D-glucopyranosyl 6-O-dodecyl-alpha-D-glucopyranoside × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；289 K；10%-20% (v/v) polyethylene glycol monomethyl ether 350 (PEGMME 350), 50 mM ADA (N-(2-Acetamido) iminodiacetic acid) (pH 6.0-7.0) and 7.5%-17.5% (v/v) polyethylene glycol 2000 (PEG2000)
|
Resolution 2.70 Å R-free 0.249 |
| 6AJG Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with SQ109 Deposited 2018-08-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–161（160 aa）
|
Mutation：C54T, C97A | 3RX N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-N'-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine × 1 LMT DODECYL-BETA-D-MALTOSIDE × 9 MHA (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；289 K；10%-20% (v/v) polyethylene glycol monomethyl ether 350 (PEGMME 350), 50 mM ADA (N-(2-Acetamido) iminodiacetic acid) (pH 6.0-7.0) and 7.5%-17.5% (v/v) polyethylene glycol 2000 (PEG2000)
|
Resolution 2.60 Å R-free 0.248 |
| 6AJH Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with AU1235 Deposited 2018-08-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–161（160 aa）
|
Mutation：C54T, C97A | 9ZF 1-(2-adamantyl)-3-[2,3,4-tris(fluoranyl)phenyl]urea × 1 L6T alpha-D-glucopyranosyl 6-O-dodecyl-alpha-D-glucopyranoside × 5 MHA (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；289 K；10%-20% (v/v) polyethylene glycol monomethyl ether 350 (PEGMME 350), 50 mM ADA (N-(2-Acetamido) iminodiacetic acid) (pH 6.0-7.0), 7.5%-17.5% (v/v) polyethylene glycol 2000 (PEG 2000)
|
Resolution 2.82 Å R-free 0.247 |
| 6AJI Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with Rimonabant Deposited 2018-08-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–161（160 aa）
|
Mutation：C54T, C97A | AY6 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide × 1 L6T alpha-D-glucopyranosyl 6-O-dodecyl-alpha-D-glucopyranoside × 3 MHA (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；289 K；10%-20% (v/v) polyethylene glycol monomethyl ether 350 (PEGMME 350), 50 mM ADA (N-(2-Acetamido) iminodiacetic acid) (pH 6.0-7.0), 7.5%-17.5% (v/v) polyethylene glycol 2000 (PEG 2000)
|
Resolution 2.90 Å R-free 0.254 |
| 6AJJ Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with ICA38 Deposited 2018-08-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–161（160 aa）
|
Mutation：C54T, C97A | MHA (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID × 2 L6T alpha-D-glucopyranosyl 6-O-dodecyl-alpha-D-glucopyranoside × 5 J9E 4,6-difluoro-N-(spiro[5.5]undecan-3-yl)-1H-indole-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；289 K；10%-20% (v/v) polyethylene glycol monomethyl ether 350 (PEGMME 350), 50 mM ADA (N-(2-Acetamido) iminodiacetic acid) (pH 6.0-7.0), 7.5%-17.5% (v/v) polyethylene glycol 2000 (PEG 2000)
|
Resolution 2.79 Å R-free 0.253 |
| 6CM4 Structure of the D2 Dopamine Receptor Bound to the Atypical Antipsychotic Drug Risperidone Deposited 2018-03-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–161（160 aa）
|
Not recorded | 8NU 3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one × 1 PEG DI(HYDROXYETHYL)ETHER × 3 OLA OLEIC ACID × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100 mM Tris-HCl, pH 7.8, 230 mM lithium nitrate, 25% PEG400, 4% 1,3-butanediol
|
Resolution 2.87 Å R-free 0.249 |
| 6D26 Crystal structure of the prostaglandin D2 receptor CRTH2 with fevipiprant Deposited 2018-04-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–12（11 aa）
Fragment：CRTH2 (UNP residues 1-236), T4 ligase (UNP residues 2-12,61-161), CRTH2 (UNP residues 238-339)
Chain A
61–161（101 aa）
Fragment：CRTH2 (UNP residues 1-236), T4 ligase (UNP residues 2-12,61-161), CRTH2 (UNP residues 238-339)
|
Mutation：N25A,G237ADLGLQHR,A1298C Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：N25A,G237ADLGLQHR,A1298C Non-standard monomer：Yes (specific site not provided by mmCIF) | FSY fevipiprant × 1 SO4 SULFATE ION × 9 SIN SUCCINIC ACID × 5 PGE TRIETHYLENE GLYCOL × 1 OLA OLEIC ACID × 1 PGO S-1,2-PROPANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 6.5；289 K；100 mM MES, pH 6.5, 100 mM ammonium sulfate, 30% PEG400, 2% P400, 1 mM succinic acid
|
Resolution 2.80 Å R-free 0.280 |
| 6D27 Crystal structure of the prostaglandin D2 receptor CRTH2 with CAY10471 Deposited 2018-04-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–12（11 aa）
Fragment：CRTH2 (UNP residues 1-236), T4 ligase (UNP residues 2-12,61-161), CRTH2 (UNP residues 238-339)
Chain A
61–161（101 aa）
Fragment：CRTH2 (UNP residues 1-236), T4 ligase (UNP residues 2-12,61-161), CRTH2 (UNP residues 238-339)
|
Mutation：N25A,G237ADLGLQHR,A1298C Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：N25A,G237ADLGLQHR,A1298C Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 7 FT4 [(3R)-3-{[(4-fluorophenyl)sulfonyl](methyl)amino}-1,2,3,4-tetrahydro-9H-carbazol-9-yl]acetic acid × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 OLA OLEIC ACID × 2 PGE TRIETHYLENE GLYCOL × 2 PGO S-1,2-PROPANEDIOL × 4 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 6.5；289 K；30% PEG300, 100 mM MES, pH 6.5, 100 mM ammonium sulfate, 2% P400
|
Resolution 2.74 Å R-free 0.280 |
| 6D9M T4-Lysozyme fusion to Geobacter GGDEF Deposited 2018-04-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–161（161 aa）
|
Not recorded | GTP GUANOSINE-5'-TRIPHOSPHATE × 2 GMP GUANOSINE × 1 POP PYROPHOSPHATE 2- × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 1 ACT ACETATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；26% PEG 4,000; 0.03M HEPES-KOH, pH 7.5; 0.3M Na(OAc)
|
Resolution 1.35 Å R-free 0.170 |
| 6FW2 Crystal Structure of human mARC1 Deposited 2018-03-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–161（161 aa）
|
Not recorded | MTE PHOSPHONIC ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,7,8A,9,10,10A-HEXAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL)ESTER × 1 EFK oxidanyl(oxidanylidene)molybdenum × 1 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 MOO MOLYBDATE ION × 4 PO4 PHOSPHATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；Bis-TRIS propane, Na2MoO4, PEG3350
|
Resolution 1.78 Å R-free 0.208 |
| 6J20 Crystal structure of the human NK1 substance P receptor Deposited 2018-12-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–11（10 aa）
Chain A
61–161（101 aa）
|
Mutation：E78N,Y121W,T222R,C97A Mutation：E78N,Y121W,T222R,C97A | GBQ 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100mM MES, pH 6.0-6.6, 25-35% PEG 400, 200-350mM ammonium tartrate dibasic
|
Resolution 2.70 Å R-free 0.260 |
| 6J21 Crystal structure of the human NK1 substance P receptor Deposited 2018-12-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–11（10 aa）
Chain A
61–161（101 aa）
|
Mutation：E78N,Y121W,Q165A,T222R,C97A Mutation：E78N,Y121W,Q165A,T222R,C97A | GBQ 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；0.1M MES, pH 6.0-6.6, 25-35% PEG 400, 200-350mM ammonium tartrate dibasic
|
Resolution 3.20 Å R-free 0.256 |
| 6JG0 Crystal structure of the N-terminal domain single mutant (S92E) of the human mitochondrial calcium uniporter fused with T4 lysozyme Deposited 2019-02-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–161（161 aa）
|
Mutation：D20N, C54T, C97A,S92E | SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；20% PEG3350, 5% glycerol, 0.3 M (NH4)2SO4, and 0.1 M Bis-Tris-HCl (pH 5.5)
|
Resolution 2.50 Å R-free 0.259 |
| 6KVX Crystal structure of the N-terminal domain single mutant (D119A) of the human mitochondrial calcium uniporter fused with T4 lysozyme Deposited 2019-09-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–161（161 aa）
|
Mutation：D20N, C54T, C97A,D119A | SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；20% (w/v) polyethylene glycol (PEG) 3350, 5% (v/v) glycerol, 0.3 M (NH4)2SO4, and 0.1 M Bis-Tris-HCl (pH 5.5)
|
Resolution 2.85 Å R-free 0.262 |
| 6LB8 Crystal structure of the Ca2+-free T4L-MICU1-MICU2 complex Deposited 2019-11-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–161（161 aa）
|
Mutation：C54T,C97A | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5；293.15 K；2% tacsimate pH 5.0, 0.1 M sodium citrate pH 5.0, 12% (w/v) PEG 3350
|
Resolution 3.28 Å R-free 0.249 |
| 6LB8 Crystal structure of the Ca2+-free T4L-MICU1-MICU2 complex Deposited 2019-11-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–161（161 aa）
|
Mutation：C54T,C97A | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5；293.15 K；2% tacsimate pH 5.0, 0.1 M sodium citrate pH 5.0, 12% (w/v) PEG 3350
|
Resolution 3.28 Å R-free 0.249 |
| 6LUQ Haloperidol bound D2 dopamine receptor structure inspired discovery of subtype selective ligands Deposited 2020-01-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–162（161 aa）
|
Not recorded | GMJ 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one × 1 OLA OLEIC ACID × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100 mM Tris/HCl pH 7.5, 150 mM sodium malonate, 30% PEG400
|
Resolution 3.10 Å R-free 0.229 |
| 6MXT Crystal structure of human beta2 adrenergic receptor bound to salmeterol and Nb71 Deposited 2018-10-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
2–161（160 aa）
Fragment：chimera of T4 lysozyme fused to human beta2 adrenergic receptor (UNP residues 29-234,263-365)
|
Mutation：M96T, M98T, N187E Non-standard monomer：Yes (specific site not provided by mmCIF) | K5Y salmeterol × 1 MG MAGNESIUM ION × 1 NI NICKEL (II) ION × 3 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 HTO HEPTANE-1,2,3-TRIOL × 1 OLA OLEIC ACID × 1 P33 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 7.5；293.15 K；31-34% PEG400, 100 mM HEPES, pH 7.5, 1% 1,2,3-heptanetriol
|
Resolution 2.96 Å R-free 0.245 |
| 6OBA The beta2 adrenergic receptor bound to a negative allosteric modulator Deposited 2019-03-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–162（161 aa）
Fragment：beta-2 (UNP residues 1-230), lysozyme, beta-2 (UNP residues 264-365)
|
Mutation：N187E, C1054T, C1097A | CLR CHOLESTEROL × 2 JTZ (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol × 1 M3J 6-bromo-N~2~-phenylquinazoline-2,4-diamine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 8；293 K；0.1 M Tris-HCl, pH 8.0, 30-40% PEG400, 300-400 mM sodium formate, 6% 1,4-butanediol, 1 mM alprenolol, 1 mM AS408, 1% DMSO
|
Resolution 3.10 Å R-free 0.277 |
| 6OL9 Structure of the M5 muscarinic acetylcholine receptor (M5-T4L) bound to tiotropium Deposited 2019-04-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–161（160 aa）
|
Not recorded | OLA OLEIC ACID × 2 0HK (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane × 1 P33 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；Reconstituted in 10:1 monoolein:cholesterol mix, 100 mM D-L Malic acid pH 6.0, 220-280 mM ammonium tartrate dibasic, 37-41% PEG 400
|
Resolution 2.54 Å R-free 0.257 |
| 6P5V Structure of DCN1 bound to N-((4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-3-methylbenzamide Deposited 2019-05-31 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Not recorded | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 O37 N-[(4S,5S)-1-[(1S)-cyclohex-3-en-1-yl]-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylbenzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；7% PEG3350, 0.2M NH4Br
|
Resolution 1.40 Å R-free 0.205 |
| 6P5W Structure of DCN1 bound to 3-methyl-N-((4S,5S)-3-methyl-6-oxo-1-phenyl-4-(p-tolyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide Deposited 2019-05-31 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Not recorded | O0A 3-methyl-N-[(4S,5S)-3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；6% PEG3350, 0.2M NH4Br
|
Resolution 1.69 Å R-free 0.222 |
| 6PGZ MTSL labelled T4 lysozyme pseudo-wild type V75C mutant Deposited 2019-06-25 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：C54T, V75C, C97A | MTN S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；2.0M Na/K Phosphate, 250mM NaCl, pH7.0
|
Resolution 2.00 Å R-free 0.291 |
| 6PGZ MTSL labelled T4 lysozyme pseudo-wild type V75C mutant Deposited 2019-06-25 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–164（164 aa）
|
Mutation：C54T, V75C, C97A | MTN S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；2.0M Na/K Phosphate, 250mM NaCl, pH7.0
|
Resolution 2.00 Å R-free 0.291 |
| 6PH0 T4 lysozyme pseudo-wild type soaked in TEMPO Deposited 2019-06-25 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：C54T, C97A | CL CHLORIDE ION × 2 HED 2-HYDROXYETHYL DISULFIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.8；298 K；2.0M Na/K Phosphate, 250mM NaCl
|
Resolution 1.95 Å R-free 0.196 |
| 6PH1 T4 lysozyme pseudo-wild type soaked in TEMPOL Deposited 2019-06-25 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：C54T, C97A | CL CHLORIDE ION × 2 HED 2-HYDROXYETHYL DISULFIDE × 1 PO4 PHOSPHATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.7；298 K；2.0M Na/K Phosphate pH 6.7, 250mM NaCl
|
Resolution 1.63 Å R-free 0.196 |
| 6PRZ XFEL beta2 AR structure by ligand exchange from Alprenolol to Alprenolol. Deposited 2019-07-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–161（160 aa）
|
Not recorded | JTZ (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol × 1 CLR CHOLESTEROL × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 OLA OLEIC ACID × 2 SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；0.1 M HEPES pH 7.0, 0.1 M Ammonium Sulfate, 30% (v/v) PEG 400, 2 mM Alprenolol
|
Resolution 2.80 Å R-free 0.228 |
| 6PS0 XFEL beta2 AR structure by ligand exchange from Alprenolol to Carazolol. Deposited 2019-07-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–161（160 aa）
|
Not recorded | CAU (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol × 1 SO4 SULFATE ION × 3 CLR CHOLESTEROL × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 OLA OLEIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；0.1 M HEPES pH 7.0, 0.1 M Ammonium Sulfate, 30% PEG 400, 2 mM of target ligand Carazolol
|
Resolution 3.40 Å R-free 0.260 |
| 6PS1 XFEL beta2 AR structure by ligand exchange from Alprenolol to Timolol. Deposited 2019-07-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–161（160 aa）
|
Not recorded | TIM (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol × 1 SO4 SULFATE ION × 3 CLR CHOLESTEROL × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 OLA OLEIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；0.1 M HEPES pH 7.0, 0.1 M Ammonium Sulfate, 30% PEG 400, 2 mM of target ligand Timolol
|
Resolution 3.20 Å R-free 0.264 |
| 6PS2 XFEL beta2 AR structure by ligand exchange from Timolol to Alprenolol. Deposited 2019-07-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–161（160 aa）
|
Not recorded | JTZ (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol × 1 CLR CHOLESTEROL × 1 OLB (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 3 SO4 SULFATE ION × 4 OLA OLEIC ACID × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；0.1 M HEPES pH 7.0, 0.1 M Ammonium Sulfate, 30% PEG 400, 2 mM of target ligand Alprenolol
|
Resolution 2.40 Å R-free 0.224 |
| 6PS3 XFEL beta2 AR structure by ligand exchange from Timolol to Carvedilol. Deposited 2019-07-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–161（160 aa）
|
Not recorded | CVD (2S)-1-(8H-CARBAZOL-4-YLOXY)-3-[2-(2-METHOXYPHENOXY)ETHYLAMINO]PROPAN-2-OL × 1 SO4 SULFATE ION × 4 CLR CHOLESTEROL × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 6 OLA OLEIC ACID × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；0.1 M HEPES pH 7.0, 0.1 M Ammonium Sulfate, 30% PEG 400, 2 mM of target ligand Carvedilol
|
Resolution 2.50 Å R-free 0.242 |
| 6PS4 XFEL beta2 AR structure by ligand exchange from Timolol to ICI-118551. Deposited 2019-07-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–161（160 aa）
|
Not recorded | JRZ (2S,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-[(1-methylethyl)amino]butan-2-ol × 1 SO4 SULFATE ION × 3 CLR CHOLESTEROL × 1 OLA OLEIC ACID × 4 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 10 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；0.1 M HEPES pH 7.0, 0.1 M Ammonium Sulfate, 30% PEG 400, 2 mM of target ligand ICI-118551
|
Resolution 2.60 Å R-free 0.243 |
| 6PS5 XFEL beta2 AR structure by ligand exchange from Timolol to Propranolol. Deposited 2019-07-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–161（160 aa）
|
Not recorded | SNP 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL × 1 SO4 SULFATE ION × 4 CLR CHOLESTEROL × 1 OLA OLEIC ACID × 2 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；0.1 M HEPES pH 7.0, 0.1 M Ammonium Sulfate, 30% PEG 400, 2 mM of target ligand Propranolol
|
Resolution 2.90 Å R-free 0.258 |
| 6PS6 XFEL beta2 AR structure by ligand exchange from Timolol to Timolol. Deposited 2019-07-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–161（160 aa）
|
Not recorded | TIM (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol × 1 SO4 SULFATE ION × 4 CLR CHOLESTEROL × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 7 OLA OLEIC ACID × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；0.1 M HEPES pH 7.0, 0.1 M Ammonium Sulfate, 30% PEG 400, 2 mM of target ligand Timolol
|
Resolution 2.70 Å R-free 0.232 |
| 6U0B Neutron crystal structure of wtT4LD Deposited 2019-08-14 | Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：C54T, C97A | CL CHLORIDE ION × 1 |
Experimental method not declared
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；~2.0 M Na/K phosphate, pH 6-7, 250 mM NaCl
|
Resolution not provided |
| 6U0C Neutron crystal structure of wtT4LE Deposited 2019-08-14 | Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：C54T, C97A | CL CHLORIDE ION × 1 |
Experimental method not declared
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；~2.0 M Na/K phosphate, pH 6-7, 250 mM NaCl
|
Resolution not provided |
| 6U0E Neutron crystal structure of T4L M6AE Deposited 2019-08-14 | Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：M6A, C54T, C97A | No recorded non-water small molecule |
Experimental method not declared
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K；~2.0 M Na/K phosphate, pH 6-7, 250 mM NaCl
|
Resolution not provided |
| 6U0F Neutron crystal structure of T4L L99AE Deposited 2019-08-14 | Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：L99A, C54T, C97A | CL CHLORIDE ION × 1 |
Experimental method not declared
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；~2.0 M Na/K phosphate, pH 6-7, 250 mM NaCl
|
Resolution not provided |
| 6V51 Spin-labeled T4 Lysozyme (9/131FnbY)-(4-Amino-TEMPO) Deposited 2019-12-02 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：4 | QPM 4-amino-2,2,6,6-tetramethylpiperidin-1-ol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；sodium/potassium phosphate, sodium chloride, hexane-1,6-diol, 2-propanol
|
Resolution 1.50 Å R-free 0.184 |
| 6VMS Structure of a D2 dopamine receptor-G-protein complex in a lipid membrane Deposited 2020-01-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric |
Chain R
2–161（160 aa）
|
Not recorded | 08Y bromoergocryptine × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.80 Å |
| 6WJC Muscarinic acetylcholine receptor 1 - muscarinic toxin 7 complex Deposited 2020-04-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
2–161（160 aa）
|
Not recorded | ACM ACETAMIDE × 1 Y01 CHOLESTEROL HEMISUCCINATE × 4 OIN (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；22-27% SOKALAN, HEPES(7.5), 0.1M NaCl
|
Resolution 2.55 Å R-free 0.263 |
| 6XMV The crystal structure of Neisseria gonorrhoeae DolP (NGO1985) Deposited 2020-06-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–162（162 aa）
|
Mutation：C1054T, C1097A, K1162A | CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；294 K；0.1 M Na acetate pH 4.5, 3M NaCl
|
Resolution 2.75 Å R-free 0.282 |
| 6XOL DCN1 bound to DI-1548 Deposited 2020-07-07 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：C54T,C97A,D127A,A146T,R154A | H8S N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；28-33 % PEG3350, 200 mM ammonium formate
|
Resolution 2.39 Å R-free 0.264 |
| 6XOM DCN1 bound to 8 Deposited 2020-07-07 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：C54T,C97A,D127A,A146T,R154A | EDO 1,2-ETHANEDIOL × 1 H8V (2R)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-2-methyl-4-(morpholin-4-yl)butanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；28 - 33% PEG 3350, 200 mM ammonium formate
|
Resolution 2.10 Å R-free 0.243 |
| 6XON DCN1 bound to inhibitor 9 Deposited 2020-07-07 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：C54T,C97A,D127A,A146T,R154A | H9M (2S)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(dimethylamino)-2-methylbutanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；28-33% PEG 3350, 0.2 M ammonium formate
|
Resolution 2.80 Å R-free 0.289 |
| 6XOO DCN1 bound to DI-1859 Deposited 2020-07-07 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：C54T,C97A,D127A,A146T,R154A | H8S N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；28-33% PEG 3350, 200 mM Ammonium formate
|
Resolution 2.06 Å R-free 0.242 |
| 6XOP DCN1 bound to inhibitor 10 Deposited 2020-07-07 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：C54T,C97A,D127A,A146T,R154A | H9P N-[(1S)-1-cyclohexyl-2-{[(2S)-3-(1H-imidazol-1-yl)-2-methylpropanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；28-33% PEG 3350, 0.2 M ammonium formate
|
Resolution 2.07 Å R-free 0.247 |
| 6XOQ DCN1 covalently bound to inhibitor 4 Deposited 2020-07-07 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：C54T,C97A,D127A,A146T,R154A | H9S (2E)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(morpholin-4-yl)but-2-enamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；28-33% PEG 3350, 0.2 M ammonium formate
|
Resolution 2.07 Å R-free 0.247 |
| 7BTS Structure of human beta1 adrenergic receptor bound to epinephrine and nanobody 6B9 Deposited 2020-04-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
2–161（160 aa）
|
Mutation：C944T,C987A | ALE L-EPINEPHRINE × 1 SO4 SULFATE ION × 6 NA SODIUM ION × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 CLR CHOLESTEROL × 1 1WV (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100 mM HEPES, pH 7.5, 80-180 mM Sodium Sulfate, 38-42% PEG400 or PEG300, 10mM epinephrine
|
Resolution 3.13 Å R-free 0.259 |
| 7BU6 Structure of human beta1 adrenergic receptor bound to norepinephrine and nanobody 6B9 Deposited 2020-04-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
2–161（160 aa）
|
Mutation：C944T,C987A | E5E Noradrenaline × 1 SO4 SULFATE ION × 7 NA SODIUM ION × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 480 (2S)-2,3-dihydroxypropyl octanoate × 1 CLR CHOLESTEROL × 1 PG4 TETRAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100 mM HEPES, pH 7.5, 100-250 mM Sodium Sulfate, 39-43% PEG300, 10mM norepinephrine
|
Resolution 2.70 Å R-free 0.258 |
| 7BU7 Structure of human beta1 adrenergic receptor bound to BI-167107 and nanobody 6B9 Deposited 2020-04-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
2–161（160 aa）
|
Mutation：C944T,C987A | SO4 SULFATE ION × 6 CLR CHOLESTEROL × 1 1WV (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate × 1 NA SODIUM ION × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 P0G 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one × 1 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100mM HEPES, pH 7.5, 100-175mM (NH4)2SO4, 38-43% PEG400, 0.15M-0.2M Glycine
|
Resolution 2.60 Å R-free 0.270 |
| 7BVQ Structure of human beta1 adrenergic receptor bound to carazolol Deposited 2020-04-11 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–161（160 aa）
|
Mutation：C944T,C987A | CLR CHOLESTEROL × 1 CAU (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol × 1 SO4 SULFATE ION × 6 1WV (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate × 1 NA SODIUM ION × 1 CIT CITRIC ACID × 2 PG4 TETRAETHYLENE GLYCOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100 mM Sodium citrate, pH 5, 150-170 mM lithium sulfate, 38-42% PEG300, 3% 1,3-butanediol
|
Resolution 2.50 Å R-free 0.263 |
| 7BVQ Structure of human beta1 adrenergic receptor bound to carazolol Deposited 2020-04-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
2–161（160 aa）
|
Mutation：C944T,C987A | CAU (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol × 1 SO4 SULFATE ION × 2 1WV (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate × 1 PG4 TETRAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100 mM Sodium citrate, pH 5, 150-170 mM lithium sulfate, 38-42% PEG300, 3% 1,3-butanediol
|
Resolution 2.50 Å R-free 0.263 |
| 7DWS The structure of T4 Lysozyme I3C/C54T/R125C/E128C complex with Zinc ions Deposited 2021-01-17 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–162（162 aa）
|
Mutation：I3C,C54T,R125C,E128C | ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.2；289 K；0.01 mM CoCl2, 0.1 M MES, pH 6.2, 2.2 M Ammonium Sulfate
|
Resolution 2.80 Å R-free 0.345 |
| 7DWS The structure of T4 Lysozyme I3C/C54T/R125C/E128C complex with Zinc ions Deposited 2021-01-17 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–162（162 aa）
|
Mutation：I3C,C54T,R125C,E128C | ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.2；289 K；0.01 mM CoCl2, 0.1 M MES, pH 6.2, 2.2 M Ammonium Sulfate
|
Resolution 2.80 Å R-free 0.345 |
| 7DWS The structure of T4 Lysozyme I3C/C54T/R125C/E128C complex with Zinc ions Deposited 2021-01-17 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1–162（162 aa）
|
Mutation：I3C,C54T,R125C,E128C | ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.2；289 K；0.01 mM CoCl2, 0.1 M MES, pH 6.2, 2.2 M Ammonium Sulfate
|
Resolution 2.80 Å R-free 0.345 |
| 7E40 Mechanism of Phosphate Sensing and Signaling Revealed by Rice SPX1-PHR2 Complex Structure Deposited 2021-02-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
3–161（159 aa）
|
Mutation：C54T,C97A | IHP INOSITOL HEXAKISPHOSPHATE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.6；277.15 K；0.1M Sodium phosphate dibasic/Citric acid pH 4.2, 10% PEG 3350, 0.2M NH4HCO3
|
Resolution 2.60 Å R-free 0.274 |
| 7E40 Mechanism of Phosphate Sensing and Signaling Revealed by Rice SPX1-PHR2 Complex Structure Deposited 2021-02-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
3–161（159 aa）
|
Mutation：C54T,C97A | IHP INOSITOL HEXAKISPHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.6；277.15 K；0.1M Sodium phosphate dibasic/Citric acid pH 4.2, 10% PEG 3350, 0.2M NH4HCO3
|
Resolution 2.60 Å R-free 0.274 |
| 7JOZ Crystal structure of dopamine D1 receptor in complex with G protein and a non-catechol agonist Deposited 2020-08-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric |
Chain R
2–161（160 aa）
|
Not recorded | VFP 6-{4-[(furo[3,2-c]pyridin-4-yl)oxy]-2-methylphenyl}-1,5-dimethylpyrimidine-2,4(1H,3H)-dione × 1 1PE PENTAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 5.5；293 K；0.1M MES pH 6.5, 0.1M Ammonium Dibasic Citrate, 18-25% (w/w) PEG400, 1mM TCEP, 10uM UCB1575401
|
Resolution 3.80 Å R-free 0.297 |
| 7LOA T4 lysozyme mutant L99A in complex with 3-fluoroiodobenzene Deposited 2021-02-09 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Not recorded | Y7V 1-fluoranyl-3-iodanyl-benzene × 1 BME BETA-MERCAPTOETHANOL × 3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；294 K；Isopropanol, PEG 4000, Tris-Cl pH 8.0, Beta-mercaptoethanol, 2-hyrdoxyethyl disulfide
|
Resolution 1.07 Å R-free 0.219 |
| 7LOB T4 lysozyme mutant L99A in complex with 1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene Deposited 2021-02-09 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Not recorded | ZNV 1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene × 1 BME BETA-MERCAPTOETHANOL × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；294 K；Isopropanol, PEG 4000, Tris-Cl pH 8.0, Beta-mercaptoethanol, 2-hyrdoxyethyl disulfide
|
Resolution 1.10 Å R-free 0.222 |
| 7LOC T4 lysozyme mutant L99A in complex with 1-bromanyl-4-fluoranyl-benzene Deposited 2021-02-09 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：L99A | BME BETA-MERCAPTOETHANOL × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 Y87 1-bromanyl-4-fluoranyl-benzene × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；294 K；Isopropanol, PEG 4000, Tris-Cl pH 8.0, Beta-mercaptoethanol, 2-hyrdoxyethyl disulfide
|
Resolution 1.16 Å R-free 0.208 |
| 7LOD T4 lysozyme mutant L99A in complex with 1-fluoranyl-4-iodanyl-benzene Deposited 2021-02-10 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：L99A | Y8D 1-fluoranyl-4-iodanyl-benzene × 1 BME BETA-MERCAPTOETHANOL × 3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；294 K；Isopropanol, PEG 4000, Tris-Cl pH 8.0, Beta-mercaptoethanol, 2-hyrdoxyethyl disulfide
|
Resolution 1.02 Å R-free 0.213 |
| 7LOE T4 lysozyme mutant L99A in complex with 1-fluoranylnaphthalene Deposited 2021-02-10 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：L99A | Y84 1-fluoranylnaphthalene × 1 BME BETA-MERCAPTOETHANOL × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；294 K；Isopropanol, PEG 4000, Tris-Cl pH 8.0, Beta-mercaptoethanol, 2-hyrdoxyethyl disulfide
|
Resolution 1.01 Å R-free 0.219 |
| 7LOF T4 lysozyme mutant L99A in complex with 2-butylthiophene Deposited 2021-02-10 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：L99A | Y8G 2-butylthiophene × 1 BME BETA-MERCAPTOETHANOL × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；294 K；Isopropanol, PEG 4000, Tris-Cl pH 8.0, Beta-mercaptoethanol, 2-hyrdoxyethyl disulfide
|
Resolution 1.05 Å R-free 0.201 |
| 7LOG T4 lysozyme mutant L99A in complex with 3-butylpyridine Deposited 2021-02-10 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：L99A | Y8J 3-butylpyridine × 1 BME BETA-MERCAPTOETHANOL × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；294 K；Isopropanol, PEG 4000, Tris-Cl pH 8.0, Beta-mercaptoethanol, 2-hyrdoxyethyl disulfide
|
Resolution 0.99 Å R-free 0.200 |
| 7LOJ T4 lysozyme mutant L99A in complex with 4-(3-phenylpropyl)aniline Deposited 2021-02-10 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：L99A | EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 Y8M 4-(3-phenylpropyl)aniline × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；294 K；Isopropanol, PEG 4000, Tris-Cl pH 8.0, Beta-mercaptoethanol, 2-hyrdoxyethyl disulfide
|
Resolution 1.50 Å R-free 0.202 |
| 7LX6 T4 lysozyme mutant L99A Deposited 2021-03-03 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：L99A | YGG 5-[(2-phenylethyl)sulfanyl]-1H-1,2,3-triazole × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；294 K；Isopropanol, PEG 4000, Tris-Cl pH 8.0, Beta-mercaptoethanol, 2-hyrdoxyethyl disulfide
|
Resolution 1.05 Å R-free 0.202 |
| 7LX7 T4 lysozyme mutant L99A Deposited 2021-03-03 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：L99A | YGJ 4-(2-phenylethoxy)phenol × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；294 K；Isopropanol, PEG 4000, Tris-Cl pH 8.0, Beta-mercaptoethanol, 2-hyrdoxyethyl disulfide
|
Resolution 1.05 Å R-free 0.202 |
| 7LX8 T4 lysozyme mutant L99A Deposited 2021-03-03 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：L99A | YGV 1-chloro-2-(methylsulfanyl)benzene × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；294 K；Isopropanol, PEG 4000, Tris-Cl pH 8.0, Beta-mercaptoethanol, 2-hyrdoxyethyl disulfide
|
Resolution 1.03 Å R-free 0.212 |
| 7LX9 T4 lysozyme mutant L99A Deposited 2021-03-03 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：L99A | YGM (but-3-en-1-yl)benzene × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；294 K；Isopropanol, PEG 4000, Tris-Cl pH 8.0, Beta-mercaptoethanol, 2-hyrdoxyethyl disulfide
|
Resolution 1.19 Å R-free 0.223 |
| 7LXA T4 lysozyme mutant L99A Deposited 2021-03-03 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：L99A | YGS (2-methylprop-2-en-1-yl)benzene × 1 BME BETA-MERCAPTOETHANOL × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；294 K；Isopropanol, PEG 4000, Tris-Cl pH 8.0, Beta-mercaptoethanol, 2-hyrdoxyethyl disulfide
|
Resolution 1.07 Å R-free 0.211 |
| 7M8W XFEL crystal structure of the prostaglandin D2 receptor CRTH2 in complex with 15R-methyl-PGD2 Deposited 2021-03-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–12（11 aa）
Chain A
61–161（101 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | YSS 15R-methyl-prostaglandin D2 × 1 NA SODIUM ION × 1 FLC CITRATE ANION × 1 SO4 SULFATE ION × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 6；283 K；sodium chloride, lithium sulphate, sodium citrate tribasic dihydrate, PEG 300, propylene glycol P400, PGD2
|
Resolution 2.61 Å R-free 0.267 |
| 7MI1 X-ray structure of yeast dynein motor domain in the presence of a pyrazolo-pyrimidinone-based compound (compound 20) Deposited 2021-04-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–161（160 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291.15 K；100 mM Bis-Tris pH 6.9, 200 mM sodium acetate, 12% PEG 3350, and 10 mM TCEP
|
Resolution 4.50 Å R-free 0.320 |
| 7P41 Crystal Structure of human mARC1 A165T Variant Deposited 2021-07-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
1–159（159 aa）
|
Mutation：A165T | EFK oxidanyl(oxidanylidene)molybdenum × 1 MTE PHOSPHONIC ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,7,8A,9,10,10A-HEXAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL)ESTER × 1 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；291 K；100 mM bis-tris-propane, 5 mM sodium molybdate, 27.5 % PEG3350
|
Resolution 1.60 Å R-free 0.186 |
| 7SYF Reconstruction of full-length Prex-1 (PtdIns(3,4,5)P3-dependent Rac Exchanger 1) Deposited 2021-11-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–161（160 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.20 Å |
| 7XE5 T4 lysozyme mutant-S44C/C54T/N68C/A93C/C97A/T115C, pH4 Deposited 2022-03-30 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Not recorded | GOL GLYCEROL × 3 HEZ HEXANE-1,6-DIOL × 2 PO4 PHOSPHATE ION × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；A crystal was soaked into precipitant-free solution (pH4)
|
Resolution 1.30 Å R-free 0.171 |
| 7XE6 T4 lysozyme mutant-S44C/C54T/N68C/A93C/C97A/T115C, pH7 Deposited 2022-03-30 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：S44C, C54T, N68C, A93C, C97A, T115C | HEZ HEXANE-1,6-DIOL × 2 GOL GLYCEROL × 2 NA SODIUM ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；A crystal was soaked into precipitant-free solutions (pH7).
|
Resolution 1.10 Å R-free 0.168 |
| 7XE7 T4 lysozyme mutant-S44C/C54T/N68C/A93C/C97A/T115C, pH10 Deposited 2022-03-30 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：S44C, C54T, N68C, A93C, C97A, T115C | GOL GLYCEROL × 2 HEZ HEXANE-1,6-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；A crystal was soaked into precipitant-free solutions (pH10)
|
Resolution 1.05 Å R-free 0.178 |
| 7XE9 T4 lysozyme mutant-S44C/C54T/N68C/A93C/C97A/T115C, DMSO 20% Deposited 2022-03-30 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：S44C, C54T, N68C, A93C, C97A, T115C | GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 3 HEZ HEXANE-1,6-DIOL × 2 NA SODIUM ION × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；A crystal was soaked into the precipitant-free solutions containing 20% DMSO.
|
Resolution 1.50 Å R-free 0.232 |
| 7XEA T4 lysozyme mutant-S44C/C54T/N68C/A93C/C97A/T115C, DMSO 40%, and then backsoaking Deposited 2022-03-30 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：S44C, C54T, N68C, A93C, C97A, T115C | GOL GLYCEROL × 2 NA SODIUM ION × 4 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；A crystal was soaked into the precipitant-free solutions containing 40% DMSO, and then backsoaked into the precipitant-free solution.
|
Resolution 1.10 Å R-free 0.181 |
| 8JWY Crystal structure of A2AR-T4L in complex with 2-118 Deposited 2023-06-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–161（160 aa）
|
Mutation：C54T,C97A | VBF 3-[2-azanyl-6-[2-oxidanylidene-1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]pyridin-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile × 1 CLR CHOLESTEROL × 1 OLA OLEIC ACID × 18 NA SODIUM ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 6.8；291 K；100 mM sodium cacodylate trihydrate pH 6.8, 200 mM sodium tartrate dibasic dihydrate, 30% PEG 400
|
Resolution 2.33 Å R-free 0.245 |
| 8JWZ Crystal structure of A2AR-T4L in complex with AB928 Deposited 2023-06-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–161（160 aa）
|
Mutation：C54T,C97A | OLA OLEIC ACID × 18 NA SODIUM ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 U30 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile × 1 PEG DI(HYDROXYETHYL)ETHER × 1 CLR CHOLESTEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 6.6；291 K；100 mM sodium cacodylate trihydrate pH 6.6, 120 mM ammonium tartrate dibasic, 32% PEG 40
|
Resolution 2.37 Å R-free 0.240 |
| 9D9J T4 Lysozyme A73H/G77H co-crystallized with Cu(II)-NTA Deposited 2024-08-21 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：C54T, A73H, G77H, C97A | HEZ HEXANE-1,6-DIOL × 2 CU COPPER (II) ION × 1 NTA NITRILOTRIACETIC ACID × 1 CL CHLORIDE ION × 2 K POTASSIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.8；293 K；Hanging drop: 2.5 uL of 330 uM protein with 2475 uM Cu(II)-NTA + 2.5 uL mother liquor. Mother liquor: 2.0 M NaH2PO4/K2HPO4, pH 6.8, 150 mM NaCl, 100 mM 1,6-hexanediol, 3% 2-propanol
|
Resolution 1.45 Å R-free 0.176 |
| 9DJA T4 Lysozyme E5H/I9H co-crystallized with Cu(II)-NTA Deposited 2024-09-06 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：E5H, I9H, C54T, C97A | HEZ HEXANE-1,6-DIOL × 1 CU COPPER (II) ION × 1 NTA NITRILOTRIACETIC ACID × 1 PO4 PHOSPHATE ION × 1 CL CHLORIDE ION × 3 K POTASSIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.6；293 K；Protein: 0.33 mM T4 lysozyme mutant, 0.825 mM Cu(II)-NTA.
Precipitant: 2.0 M NaH2PO4/K2HPO4, pH 6.6, 150 mM NaCl, 100 mM 1,6-hexanediol, 3% 2-propanol.
|
Resolution 1.33 Å R-free 0.181 |
| 9DJB T4 Lysozyme A73H/G77H Deposited 2024-09-06 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：A73H, G77H, C54T, C97A | CL CHLORIDE ION × 3 K POTASSIUM ION × 1 PO4 PHOSPHATE ION × 2 NA SODIUM ION × 1 HEZ HEXANE-1,6-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.8；293 K；Protein: 0.33 mM T4 lysozyme mutant
Precipitant: 2.2 M NaH2PO4/K2HPO4, pH 6.8, 150 mM NaCl, 100 mM 1,6-hexanediol, 3% 2-propanol
|
Resolution 1.13 Å R-free 0.170 |
| 9DJC T4 Lysozyme A73H/G77H/Y139F Deposited 2024-09-06 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：A73H, G77H, Y139F, C54T, C97A | PO4 PHOSPHATE ION × 1 K POTASSIUM ION × 1 CL CHLORIDE ION × 3 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.8；293 K；Protein: 0.33 mM T4 lysozyme mutant.
Precipitant: 2.2 M NaH2PO4/K2HPO4, pH 6.8, 150 mM NaCl, 100 mM 1,6-hexanediol, 3% 2-propanol
|
Resolution 1.13 Å R-free 0.160 |
| 9DJD T4 Lysozyme A73H/G77H/Y139F co-crystallized with Cu(II)-NTA Deposited 2024-09-06 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：A73H, G77H, Y139F, C54T, C97A | CU COPPER (II) ION × 1 NTA NITRILOTRIACETIC ACID × 1 K POTASSIUM ION × 1 CL CHLORIDE ION × 3 PO4 PHOSPHATE ION × 1 HEZ HEXANE-1,6-DIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.6；293 K；Protein: 0.33 mM T4 lysozyme mutant, 2.64 mM Cu(II)-NTA.
Precipitant: 2.0 M NaH2PO4/K2HPO4, pH 6.6, 150 mM NaCl, 100 mM 1,6-hexanediol, 3% 2-propanol
|
Resolution 1.11 Å R-free 0.159 |
| 9DJE T4 Lysozyme T109H/G113H Deposited 2024-09-06 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：T109H, G113H, C54T, C97A | CL CHLORIDE ION × 2 HEZ HEXANE-1,6-DIOL × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.6；293 K；Protein: 0.33 mM T4 lysozyme mutant.
Precipitant: 2.2 M NaH2PO4/K2HPO4, pH 6.6, 150 mM NaCl, 100 mM 1,6-hexanediol, 3% 2-propanol
|
Resolution 1.62 Å R-free 0.184 |
| 9DJF T4 Lysozyme T109H/G113H co-crystallized with Cu(II)-NTA Deposited 2024-09-06 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：T109H, G113H, C54T, C97A | CU COPPER (II) ION × 1 NTA NITRILOTRIACETIC ACID × 1 CL CHLORIDE ION × 4 K POTASSIUM ION × 1 HEZ HEXANE-1,6-DIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；Protein: 0.33 mM T4 lysozyme mutant, 3.3 mM Cu(II)-NTA.
Precipitant: 2.0 M NaH2PO4/K2HPO4, pH 7.0, 150 mM NaCl, 100 mM 1,6-hexanediol, 3% 2-propanol
|
Resolution 1.73 Å R-free 0.194 |
| 9DJG T4 Lysozyme T115H/R119H Deposited 2024-09-06 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：T115H, R119H, C54T, C97A | CL CHLORIDE ION × 3 K POTASSIUM ION × 1 NA SODIUM ION × 1 PO4 PHOSPHATE ION × 1 HEZ HEXANE-1,6-DIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.6；293 K；Protein: 0.33 mM T4 lysozyme mutant.
Precipitant: 2.0 M NaH2PO4/K2HPO4, pH 6.6, 150 mM NaCl, 100 mM 1,6-hexanediol, 3% 2-propanol
|
Resolution 1.45 Å R-free 0.176 |
| 9DJH T4 Lysozyme T115H/R119H co-crystallized with Cu(II)-NTA Deposited 2024-09-06 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：T115H, R119H, C54T, C97A | CL CHLORIDE ION × 4 CU COPPER (II) ION × 1 NTA NITRILOTRIACETIC ACID × 1 K POTASSIUM ION × 1 PO4 PHOSPHATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.8；293 K；Protein: 0.33 mM T4 lysozyme mutant, 2.475 mM Cu(II)-NTA.
Precipitant: 2.2 M NaH2PO4/K2HPO4, pH 6.8, 150 mM NaCl, 100 mM 1,6-hexanediol, 3% 2-propanol
|
Resolution 1.45 Å R-free 0.212 |
| 9DJI T4 Lysozyme R119H/Q123H Deposited 2024-09-06 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：R119H, Q123H, C54T, C97A | CL CHLORIDE ION × 3 K POTASSIUM ION × 1 PO4 PHOSPHATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.8；293 K；Protein: 0.33 mM T4 lysozyme mutant.
Precipitant: 2.2 M NaH2PO4/K2HPO4, pH 6.8, 150 mM NaCl, 100 mM 1,6-hexanediol, 3% 2-propanol
|
Resolution 1.10 Å R-free 0.154 |
| 9DJJ T4 Lysozyme R119H/Q123H co-crystallized with Cu(II)-NTA Deposited 2024-09-06 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：R119H, Q123H, C54T, C97A | CU COPPER (II) ION × 2 NTA NITRILOTRIACETIC ACID × 2 PO4 PHOSPHATE ION × 1 CL CHLORIDE ION × 3 HEZ HEXANE-1,6-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.8；293 K；Protein: 0.33 mM T4 lysozyme mutant, 3.3 mM Cu(II)-NTA.
Precipitant: 2.2 M NaH2PO4/K2HPO4, pH 6.8, 150 mM NaCl, 100 mM 1,6-hexanediol, 3% 2-propanol
|
Resolution 1.33 Å R-free 0.175 |
| 9DJK T4 Lysozyme D127H/V131H Deposited 2024-09-06 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：C54T, C97A, D127H, V131H | CL CHLORIDE ION × 3 K POTASSIUM ION × 1 PO4 PHOSPHATE ION × 1 HEZ HEXANE-1,6-DIOL × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；Protein: 0.33 mM T4 lysozyme mutant.
Precipitant: 2.2 M NaH2PO4/K2HPO4, pH 7.0, 150 mM NaCl, 100 mM 1,6-hexanediol, 3% 2-propanol
|
Resolution 1.04 Å R-free 0.168 |
| 9DJL T4 Lysozyme D127H/V131H co-crystallized with Cu(II)-NTA Deposited 2024-09-06 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：C54T, C97A, D127H, V131H | CL CHLORIDE ION × 3 K POTASSIUM ION × 1 PO4 PHOSPHATE ION × 1 CU COPPER (II) ION × 2 NTA NITRILOTRIACETIC ACID × 1 HEZ HEXANE-1,6-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.8；293 K；Protein: 0.33 mM T4 lysozyme mutant, 0.66 mM Cu(II)-NTA.
Precipitant: 2.2 M NaH2PO4/K2HPO4, pH 6.8, 150 mM NaCl, 100 mM 1,6-hexanediol, 3% 2-propanol
|
Resolution 1.18 Å R-free 0.174 |
| 9DJM T4 Lysozyme K147H/T151H Deposited 2024-09-06 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：C54T, C97A, K147H, T151H | K POTASSIUM ION × 1 PO4 PHOSPHATE ION × 1 CL CHLORIDE ION × 3 IPA ISOPROPYL ALCOHOL × 1 HEZ HEXANE-1,6-DIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.8；293 K；Protein: 0.33 mM T4 lysozyme mutant.
Precipitant: 2.0 M NaH2PO4/K2HPO4, pH 6.8, 150 mM NaCl, 100 mM 1,6-hexanediol, 3% 2-propanol
|
Resolution 1.08 Å R-free 0.167 |
| 9DJN T4 Lysozyme K147H/T151H co-crystallized with Cu(II)-NTA Deposited 2024-09-06 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：C54T, C97A, K147H, T151H | K POTASSIUM ION × 1 PO4 PHOSPHATE ION × 1 CL CHLORIDE ION × 3 CU COPPER (II) ION × 1 NTA NITRILOTRIACETIC ACID × 1 NA SODIUM ION × 1 HEZ HEXANE-1,6-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.6；293 K；Protein: 0.33 mM T4 lysozyme mutant, 3.3 mM Cu(II)-NTA.
Precipitant: 2.2 M NaH2PO4/K2HPO4, pH 6.6, 150 mM NaCl, 100 mM 1,6-hexanediol, 3% 2-propanol
|
Resolution 1.26 Å R-free 0.167 |
| 9DJO T4 Lysozyme E5H/I9H/A73H/G77H Deposited 2024-09-06 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：E5H, I9H, A73H, G77H, C54T, C97A | K POTASSIUM ION × 1 CL CHLORIDE ION × 4 PO4 PHOSPHATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；Protein: 0.33 mM T4 lysozyme mutant
Precipitant: 2.2 M NaH2PO4/K2HPO4, pH 6.8, 150 mM NaCl, 100 mM 1,6-hexanediol, 3% 2-propanol
|
Resolution 1.33 Å R-free 0.174 |
| 9DJP T4 Lysozyme A73H/G77H/R119H/Q123H co-crystallized with Cu(II)-NTA Deposited 2024-09-06 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：C54T, C97A, A73H, G77H, R119H, Q123H | CU COPPER (II) ION × 3 NTA NITRILOTRIACETIC ACID × 3 PO4 PHOSPHATE ION × 1 CL CHLORIDE ION × 3 NA SODIUM ION × 2 HEZ HEXANE-1,6-DIOL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；Protein: 0.33 mM T4 lysozyme mutant, 2.64 mM Cu(II)-NTA.
Precipitant: 2.2 M NaH2PO4/K2HPO4, pH 6.6, 150 mM NaCl, 100 mM 1,6-hexanediol, 3% 2-propanol
|
Resolution 1.17 Å R-free 0.161 |
| 9DJQ T4 Lysozyme T109H/G113H/D127H/V131H co-crystallized with Cu(II)-NTA Deposited 2024-09-06 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：C54T, C97A, T109H, G113H, D127H, V131H | CU COPPER (II) ION × 3 NTA NITRILOTRIACETIC ACID × 2 CL CHLORIDE ION × 3 K POTASSIUM ION × 1 PO4 PHOSPHATE ION × 1 HEZ HEXANE-1,6-DIOL × 2 IPA ISOPROPYL ALCOHOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.6；297 K；Protein: 0.33 mM T4 lysozyme mutant, 3.3 mM Cu(II)-NTA.
Precipitant: 2.0 M NaH2PO4/K2HPO4, pH 6.6, 150 mM NaCl, 100 mM 1,6-hexanediol, 3% 2-propanol
|
Resolution 1.28 Å R-free 0.172 |
| 9DJR T4 Lysozyme T115H/R119H/K147H/T151H co-crystallized with Cu(II)-NTA Deposited 2024-09-06 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：C54T, C97A, T115H, R119H, K147H, T151H | CU COPPER (II) ION × 2 NTA NITRILOTRIACETIC ACID × 2 CL CHLORIDE ION × 3 NA SODIUM ION × 1 K POTASSIUM ION × 1 HEZ HEXANE-1,6-DIOL × 1 PO4 PHOSPHATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.6；293 K；Protein: 0.33 mM T4 lysozyme mutant, 3.3 mM Cu(II)-NTA.
Precipitant: 2.2 M NaH2PO4/K2HPO4, pH 6.6, 150 mM NaCl, 100 mM 1,6-hexanediol, 3% 2-propanol
|
Resolution 1.33 Å R-free 0.166 |
| 9DJS T4 Lysozyme A73H/G77H/T115H/R119H co-crystallized with Cu(II)-NTA (room temperature structure) Deposited 2024-09-06 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–164（164 aa）
|
Mutation：C54T, C97A, A73H, G77H, T115H, R119H | IPA ISOPROPYL ALCOHOL × 1 CU COPPER (II) ION × 2 NTA NITRILOTRIACETIC ACID × 2 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.6；293 K；Protein: 0.33 mM T4 lysozyme mutant, 4.95 mM Cu(II)-NTA.
Precipitant: 2.2 M NaH2PO4/K2HPO4, pH 6.6, 150 mM NaCl, 100 mM 1,6-hexanediol, 3% 2-propanol
|
Resolution 1.55 Å R-free 0.197 |
131 other PDB entries and 146 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | D9IEF7_BPT4 |
| Isoform | — |
| PDB entities | 1 |
| Chains and sequence ranges | Author chain A； PDBConstruct 1–164； UniProt 1–164 |
