|
1BIO
HUMAN COMPLEMENT FACTOR D IN COMPLEX WITH ISATOIC ANHYDRIDE INHIBITOR
Deposited 1998-06-18
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
26–253(228 aa)
|
Not recorded
|
SOA ISATOIC ANHYDRIDE × 1
GOL GLYCEROL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.4;pH 6.4
|
Resolution 1.50 Å
R-free 0.191
|
|
1DFP
FACTOR D INHIBITED BY DIISOPROPYL FLUOROPHOSPHATE
Deposited 1997-02-18
|
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
26–253(228 aa)
Chain B
26–253(228 aa)
|
Not recorded
|
DFP DIISOPROPYL PHOSPHONATE × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8;INHIBITED PROTEIN WAS CRYSTALLIZED FROM 12-16% PEG 6000 AND 0.2 M NACL,50MM MES BUFFER, PH=5.6-5.8.
|
Resolution 2.40 Å
R-free 0.228
|
|
1DIC
STRUCTURE OF 3,4-DICHLOROISOCOUMARIN-INHIBITED FACTOR D
Deposited 1998-07-08
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
26–253(228 aa)
|
Not recorded
|
DIC 3,4-DICHLOROISOCOUMARIN × 1
O OXYGEN ATOM × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.6;pH 5.6
|
Resolution 1.80 Å
R-free 0.251
|
|
1DST
MUTANT OF FACTOR D WITH ENHANCED CATALYTIC ACTIVITY
Deposited 1995-09-13
|
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
26–253(228 aa)
|
Mutation:S94Y, T214S, S215W
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.8;pH 6.8
|
Resolution 2.00 Å
R-free 0.213
|
|
1DSU
HUMAN FACTOR D, COMPLEMENT ACTIVATING ENZYME
Deposited 1995-09-15
|
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
26–253(228 aa)
Chain B
26–253(228 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
mmCIF provides none of the parsed conditions
|
Resolution 2.00 Å
R-free 0.203
|
|
1FDP
PROENZYME OF HUMAN COMPLEMENT FACTOR D, RECOMBINANT PROFACTOR D
Deposited 1998-12-03
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
19–253(235 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 5.2;298 K;CRYSTALLIZATION CONDITIONS: THE RESERVOIR SOLUTION CONTAINED 10-12% PEG-6000
AND 30MM MES (PH5.2). THE DROPS CONTAINED EQUAL VOLUME OF RESERVOIR SOLUTION
AND PROTEIN SOLUTION (10MG/ML), VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.10 Å
R-free 0.251
|
|
1FDP
PROENZYME OF HUMAN COMPLEMENT FACTOR D, RECOMBINANT PROFACTOR D
Deposited 1998-12-03
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
19–253(235 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 5.2;298 K;CRYSTALLIZATION CONDITIONS: THE RESERVOIR SOLUTION CONTAINED 10-12% PEG-6000
AND 30MM MES (PH5.2). THE DROPS CONTAINED EQUAL VOLUME OF RESERVOIR SOLUTION
AND PROTEIN SOLUTION (10MG/ML), VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.10 Å
R-free 0.251
|
|
1FDP
PROENZYME OF HUMAN COMPLEMENT FACTOR D, RECOMBINANT PROFACTOR D
Deposited 1998-12-03
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain C
19–253(235 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 5.2;298 K;CRYSTALLIZATION CONDITIONS: THE RESERVOIR SOLUTION CONTAINED 10-12% PEG-6000
AND 30MM MES (PH5.2). THE DROPS CONTAINED EQUAL VOLUME OF RESERVOIR SOLUTION
AND PROTEIN SOLUTION (10MG/ML), VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.10 Å
R-free 0.251
|
|
1FDP
PROENZYME OF HUMAN COMPLEMENT FACTOR D, RECOMBINANT PROFACTOR D
Deposited 1998-12-03
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 4
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain D
19–253(235 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 5.2;298 K;CRYSTALLIZATION CONDITIONS: THE RESERVOIR SOLUTION CONTAINED 10-12% PEG-6000
AND 30MM MES (PH5.2). THE DROPS CONTAINED EQUAL VOLUME OF RESERVOIR SOLUTION
AND PROTEIN SOLUTION (10MG/ML), VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.10 Å
R-free 0.251
|
|
1HFD
HUMAN COMPLEMENT FACTOR D IN A P21 CRYSTAL FORM
Deposited 1998-06-18
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
26–253(228 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.4;pH 5.4
|
Resolution 2.30 Å
R-free 0.216
|
|
2XW9
Crystal Structure of Complement Factor D mutant S183A
Deposited 2010-11-01
|
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
26–253(228 aa)
|
Mutation:YES
|
GOL GLYCEROL × 4
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6;pH 6.0
|
Resolution 1.20 Å
R-free 0.176
|
|
2XWA
Crystal Structure of Complement Factor D Mutant R202A
Deposited 2010-11-01
|
Different mutation/modification
Different oligomeric state
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
26–253(228 aa)
|
Mutation:YES
|
GOL GLYCEROL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6;pH 6.0
|
Resolution 2.80 Å
R-free 0.283
|
|
2XWA
Crystal Structure of Complement Factor D Mutant R202A
Deposited 2010-11-01
|
Different mutation/modification
Different oligomeric state
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
26–253(228 aa)
|
Mutation:YES
|
GOL GLYCEROL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6;pH 6.0
|
Resolution 2.80 Å
R-free 0.283
|
|
2XWB
Crystal Structure of Complement C3b in complex with Factors B and D
Deposited 2010-11-01
|
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Other combination
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain J
26–253(228 aa)
|
Mutation:YES
|
MG MAGNESIUM ION × 2
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2
GOL GLYCEROL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.7;PH 7.7
|
Resolution 3.49 Å
R-free 0.244
|
|
2XWB
Crystal Structure of Complement C3b in complex with Factors B and D
Deposited 2010-11-01
|
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Other combination
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain I
26–253(228 aa)
|
Mutation:YES
|
MG MAGNESIUM ION × 2
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3
GOL GLYCEROL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.7;PH 7.7
|
Resolution 3.49 Å
R-free 0.244
|
|
2XWB
Crystal Structure of Complement C3b in complex with Factors B and D
Deposited 2010-11-01
|
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Other combination
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain J
26–253(228 aa)
|
Mutation:YES
|
MG MAGNESIUM ION × 2
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3
GOL GLYCEROL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.7;PH 7.7
|
Resolution 3.49 Å
R-free 0.244
|
|
2XWB
Crystal Structure of Complement C3b in complex with Factors B and D
Deposited 2010-11-01
|
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 4
Other combination
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain I
26–253(228 aa)
|
Mutation:YES
|
MG MAGNESIUM ION × 2
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2
GOL GLYCEROL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.7;PH 7.7
|
Resolution 3.49 Å
R-free 0.244
|
|
4CBN
Crystal structure of Complement Factor D mutant R202A after conventional refinement
Deposited 2013-10-15
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
26–253(228 aa)
Fragment:RESIDUES 26-253
|
Mutation:YES
|
GOL GLYCEROL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
15% PEG 6000, 50 MM MES/NAOH, PH 6.0
|
Resolution 1.80 Å
R-free 0.219
|
|
4CBN
Crystal structure of Complement Factor D mutant R202A after conventional refinement
Deposited 2013-10-15
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
26–253(228 aa)
Fragment:RESIDUES 26-253
|
Mutation:YES
|
GOL GLYCEROL × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
15% PEG 6000, 50 MM MES/NAOH, PH 6.0
|
Resolution 1.80 Å
R-free 0.219
|
|
4CBO
Crystal structure of Complement Factor D mutant R202A after ensemble refinement
Deposited 2013-10-15
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
26–253(228 aa)
Fragment:RESIDUES 26-253
|
Mutation:YES
|
GOL GLYCEROL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
15% PEG 6000, 50 MM MES/NAOH PH 6.0
|
Resolution 1.80 Å
R-free 0.212
|
|
4CBO
Crystal structure of Complement Factor D mutant R202A after ensemble refinement
Deposited 2013-10-15
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
26–253(228 aa)
Fragment:RESIDUES 26-253
|
Mutation:YES
|
GOL GLYCEROL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
15% PEG 6000, 50 MM MES/NAOH PH 6.0
|
Resolution 1.80 Å
R-free 0.212
|
|
4D9R
Inhibiting Alternative Pathway Complement Activation by Targeting the Exosite on Factor D
Deposited 2012-01-11
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
26–253(228 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 8.5;277 K;0.1 M Tris-HCl, 0.02 M NH4PO4, MPD 50.0% v/v, 0.01 M hexamine cobalt (III) chloride, pH 8.5, vapor diffusion, hanging drop, temperature 277K
|
Resolution 2.42 Å
R-free 0.251
|
|
4D9R
Inhibiting Alternative Pathway Complement Activation by Targeting the Exosite on Factor D
Deposited 2012-01-11
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain B
26–253(228 aa)
|
Not recorded
|
CL CHLORIDE ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 8.5;277 K;0.1 M Tris-HCl, 0.02 M NH4PO4, MPD 50.0% v/v, 0.01 M hexamine cobalt (III) chloride, pH 8.5, vapor diffusion, hanging drop, temperature 277K
|
Resolution 2.42 Å
R-free 0.251
|
|
5FBE
COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND2
Deposited 2015-12-14
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
26–253(228 aa)
Fragment:UNP residues 26-253
|
Not recorded
|
GOL GLYCEROL × 1
5W5 methyl 2-[[[(2~{S})-2-[[3-(trifluoromethyloxy)phenyl]carbamoyl]pyrrolidin-1-yl]carbonylamino]methyl]benzoate × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;1 MICROLITER PROTEIN SOLUTION WAS MIXED WITH 1 MICROLITER RESERVOIR SOLUTION. PROTEIN SOLUTION: 18 mg/mL FD, 10 mM Tris pH 7.0, 100 mM NaCl; RESERVOIR SOLUTION: 22% PEG3350, 100 mM HEPES pH 7.5; SOAKING AND CRYO: ADDITION of 10 mM COMPOUND2 for 45 min FOLLOWED by the ADDITION OF 0.5 MICROLITER GLYCEROL AND FLASH FREEZING IN LIQUIT NITROGEN.
|
Resolution 1.43 Å
R-free 0.188
|
|
5FBI
COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND 3b
Deposited 2015-12-14
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
26–253(228 aa)
|
Not recorded
|
GOL GLYCEROL × 1
5WD 3-[(2-aminocarbonyl-1~{H}-indol-5-yl)oxymethyl]benzoic acid × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;1 Microliter of protein solution was mixed with 1 microliter of reservoir solution. Protein solution: 18.3 mg/ml factor D, 10 mM Tris pH 7.0, 100 mM sodium chloride; Reservoir solution: 22% PEG3350, 100 mM HEPES pH 7.5; Soaking and cryo: 0.5 ul 100 mM compound 3b in 90% DMSO was added to the crystal containing drop and incubated for 45 min followed by the addition of 0.5 ul glyerol and flash freezing in liquid nitrogen.
|
Resolution 1.47 Å
R-free 0.196
|
|
5FCK
COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND 5
Deposited 2015-12-15
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
26–253(228 aa)
|
Not recorded
|
5WC 1-[2-[(1~{R},3~{S},5~{R})-3-[[(1~{R})-1-(3-chloranyl-2-fluoranyl-phenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]pyrazolo[3,4-c]pyridine-3-carboxamide × 1
SO4 SULFATE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;1 uL FD solution (18 mg/mL FD, 10 mM Tris pH 7.0, 100 mM NaCl) was mixed with 1 uL reservoir solution (25% PEG3350, 100 mM TRIS pH 8.0) and equilibrated against 1 mL reservoir solution.
|
Resolution 1.86 Å
R-free 0.237
|
|
5MT0
COMPLEMENT FACTOR D IN COMPLEX WITH A REVERSIBLE INDOLE CARBOXYLIC ACID BASED INHIBITOR
Deposited 2017-01-06
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
26–253(228 aa)
|
Not recorded
|
QJS 5-fluoranyl-3-[[(1~{S},2~{S})-2-phenylcyclopropyl]carbonylamino]-1~{H}-indole-2-carboxylic acid × 1
SO4 SULFATE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;25% PEG3350, 100 mM BIS-TRIS pH 6.5
|
Resolution 1.29 Å
R-free 0.196
|
|
5MT4
COMPLEMENT FACTOR D IN COMPLEX WITH A REVERSIBLE BENZOIC ACID BASED INHIBITOR
Deposited 2017-01-06
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
26–253(228 aa)
|
Not recorded
|
M7O 2-[(phenylmethyl)carbamoylamino]benzoic acid × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;26% PEGME2000, 100mM Bis-Tris pH 6.5
|
Resolution 1.65 Å
R-free 0.239
|
|
5NAR
Complement factor D in complex with the inhibitor (S)-pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide]
Deposited 2017-02-28
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
26–253(228 aa)
|
Not recorded
|
SO4 SULFATE ION × 1
8RW (2~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;298 K;MM NACL, 0.5MM NVP-BVT244-NX-1
+ 1 UL RESERVOIR SOLUTION
|
Resolution 1.55 Å
R-free 0.231
|
|
5NAT
Complement factor D in complex with the inhibitor (S)-Pyrrolidine-1,2-dicarboxylic acid 1-[(1-methyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide]
Deposited 2017-02-28
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
26–253(228 aa)
|
Not recorded
|
GOL GLYCEROL × 2
8RT (2~{S})-~{N}1-(1-methylindol-3-yl)-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;298 K;MM NACL
+ 1 UL RESERVOIR SOLUTION
|
Resolution 1.17 Å
|
|
5NAW
Complement factor D in complex with the inhibitor (1R,3S,5R)-2-Aza-bicyclo[3.1.0]hexane-2,3-dicarboxylic acid 2-[(1-carbamoyl-1H-indol-3-yl)-amide] 3-[(3-trifluoromethoxy-phenyl)-amide]
Deposited 2017-02-28
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
26–253(228 aa)
|
Not recorded
|
8RZ (1~{R},3~{S},5~{R})-~{N}2-(1-aminocarbonylindol-3-yl)-~{N}3-[3-(trifluoromethyloxy)phenyl]-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;298 K;27% PEG 3350
100 mM HEPES pH 7.5
|
Resolution 1.25 Å
R-free 0.178
|
|
5NB6
Complement factor D in complex with the inhibitor (2S,4S)-4-Amino-pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide]
Deposited 2017-03-01
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
26–253(228 aa)
|
Not recorded
|
8S2 (2~{S},4~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-4-azanyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;298 K;22% PEG3350, 0.1 M HEPES pH 7.5, 50 mM NaCl
|
Resolution 1.75 Å
R-free 0.297
|
|
5NB7
Complement factor D
Deposited 2017-03-01
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
26–253(228 aa)
|
Not recorded
|
DMS DIMETHYL SULFOXIDE × 2
8NQ 1-[2-[(1~{R},3~{S},5~{R})-3-[(6-bromanylpyridin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]indazole-3-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;298 K;22% PEG 3350, 0.1 m HEPES pH 7.5, 50 mM NaCl
|
Resolution 1.33 Å
R-free 0.196
|
|
5NBA
Complement factor D in complex with the inhibitor (2S,4R)-4-Fluoro-pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide]
Deposited 2017-03-01
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
26–253(228 aa)
|
Not recorded
|
8S5 (2~{S},4~{R})-~{N}1-(1-aminocarbonylindol-3-yl)-4-fluoranyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;23% PEG 3350, 0.1 M HEPES pH 7.5, 50 mM NaCl
|
Resolution 1.87 Å
R-free 0.260
|
|
5TCA
Complement Factor D inhibited with JH3
Deposited 2016-09-14
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
26–253(228 aa)
Fragment:residues 26-253
|
Not recorded
|
J55 1-(2-{(2S)-2-[(6-bromopyridin-2-yl)carbamoyl]-1,3-thiazolidin-3-yl}-2-oxoethyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;293 K;0.1 M Tris-HCl pH 8.5, 15% PEG 20000
|
Resolution 3.15 Å
R-free 0.264
|
|
5TCA
Complement Factor D inhibited with JH3
Deposited 2016-09-14
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
26–253(228 aa)
Fragment:residues 26-253
|
Not recorded
|
J55 1-(2-{(2S)-2-[(6-bromopyridin-2-yl)carbamoyl]-1,3-thiazolidin-3-yl}-2-oxoethyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;293 K;0.1 M Tris-HCl pH 8.5, 15% PEG 20000
|
Resolution 3.15 Å
R-free 0.264
|
|
5TCA
Complement Factor D inhibited with JH3
Deposited 2016-09-14
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain C
26–253(228 aa)
Fragment:residues 26-253
|
Not recorded
|
J55 1-(2-{(2S)-2-[(6-bromopyridin-2-yl)carbamoyl]-1,3-thiazolidin-3-yl}-2-oxoethyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;293 K;0.1 M Tris-HCl pH 8.5, 15% PEG 20000
|
Resolution 3.15 Å
R-free 0.264
|
|
5TCA
Complement Factor D inhibited with JH3
Deposited 2016-09-14
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 4
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain D
26–253(228 aa)
Fragment:residues 26-253
|
Not recorded
|
J55 1-(2-{(2S)-2-[(6-bromopyridin-2-yl)carbamoyl]-1,3-thiazolidin-3-yl}-2-oxoethyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;293 K;0.1 M Tris-HCl pH 8.5, 15% PEG 20000
|
Resolution 3.15 Å
R-free 0.264
|
|
5TCA
Complement Factor D inhibited with JH3
Deposited 2016-09-14
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 5
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain E
26–253(228 aa)
Fragment:residues 26-253
|
Not recorded
|
J55 1-(2-{(2S)-2-[(6-bromopyridin-2-yl)carbamoyl]-1,3-thiazolidin-3-yl}-2-oxoethyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;293 K;0.1 M Tris-HCl pH 8.5, 15% PEG 20000
|
Resolution 3.15 Å
R-free 0.264
|
|
5TCA
Complement Factor D inhibited with JH3
Deposited 2016-09-14
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 6
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain F
26–253(228 aa)
Fragment:residues 26-253
|
Not recorded
|
J55 1-(2-{(2S)-2-[(6-bromopyridin-2-yl)carbamoyl]-1,3-thiazolidin-3-yl}-2-oxoethyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;293 K;0.1 M Tris-HCl pH 8.5, 15% PEG 20000
|
Resolution 3.15 Å
R-free 0.264
|
|
5TCA
Complement Factor D inhibited with JH3
Deposited 2016-09-14
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 7
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain G
26–253(228 aa)
Fragment:residues 26-253
|
Not recorded
|
J55 1-(2-{(2S)-2-[(6-bromopyridin-2-yl)carbamoyl]-1,3-thiazolidin-3-yl}-2-oxoethyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;293 K;0.1 M Tris-HCl pH 8.5, 15% PEG 20000
|
Resolution 3.15 Å
R-free 0.264
|
|
5TCC
Complement Factor D inhibited with JH4
Deposited 2016-09-14
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
26–253(228 aa)
Fragment:residues 26-253
|
Not recorded
|
J56 (2S)-N-(6-bromopyridin-2-yl)-3-[(1H-indazol-1-yl)acetyl]-1,3-thiazolidine-2-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;293 K;0.1 M MES pH 6.5 and 25% PEG 8000
|
Resolution 3.37 Å
R-free 0.260
|
|
5TCC
Complement Factor D inhibited with JH4
Deposited 2016-09-14
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
26–253(228 aa)
Fragment:residues 26-253
|
Not recorded
|
J56 (2S)-N-(6-bromopyridin-2-yl)-3-[(1H-indazol-1-yl)acetyl]-1,3-thiazolidine-2-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;293 K;0.1 M MES pH 6.5 and 25% PEG 8000
|
Resolution 3.37 Å
R-free 0.260
|
|
5TCC
Complement Factor D inhibited with JH4
Deposited 2016-09-14
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain C
26–253(228 aa)
Fragment:residues 26-253
|
Not recorded
|
J56 (2S)-N-(6-bromopyridin-2-yl)-3-[(1H-indazol-1-yl)acetyl]-1,3-thiazolidine-2-carboxamide × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;293 K;0.1 M MES pH 6.5 and 25% PEG 8000
|
Resolution 3.37 Å
R-free 0.260
|
|
5TCC
Complement Factor D inhibited with JH4
Deposited 2016-09-14
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 4
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain D
26–253(228 aa)
Fragment:residues 26-253
|
Not recorded
|
J56 (2S)-N-(6-bromopyridin-2-yl)-3-[(1H-indazol-1-yl)acetyl]-1,3-thiazolidine-2-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;293 K;0.1 M MES pH 6.5 and 25% PEG 8000
|
Resolution 3.37 Å
R-free 0.260
|
|
5TCC
Complement Factor D inhibited with JH4
Deposited 2016-09-14
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 5
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain E
26–253(228 aa)
Fragment:residues 26-253
|
Not recorded
|
J56 (2S)-N-(6-bromopyridin-2-yl)-3-[(1H-indazol-1-yl)acetyl]-1,3-thiazolidine-2-carboxamide × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;293 K;0.1 M MES pH 6.5 and 25% PEG 8000
|
Resolution 3.37 Å
R-free 0.260
|
|
5TCC
Complement Factor D inhibited with JH4
Deposited 2016-09-14
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 6
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain F
26–253(228 aa)
Fragment:residues 26-253
|
Not recorded
|
J56 (2S)-N-(6-bromopyridin-2-yl)-3-[(1H-indazol-1-yl)acetyl]-1,3-thiazolidine-2-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;293 K;0.1 M MES pH 6.5 and 25% PEG 8000
|
Resolution 3.37 Å
R-free 0.260
|
|
5TCC
Complement Factor D inhibited with JH4
Deposited 2016-09-14
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 7
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain G
26–253(228 aa)
Fragment:residues 26-253
|
Not recorded
|
J56 (2S)-N-(6-bromopyridin-2-yl)-3-[(1H-indazol-1-yl)acetyl]-1,3-thiazolidine-2-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;293 K;0.1 M MES pH 6.5 and 25% PEG 8000
|
Resolution 3.37 Å
R-free 0.260
|
|
6FTY
COMPLEMENT FACTOR D COMPLEXED WITH COMPOUND 5
Deposited 2018-02-26
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
26–253(228 aa)
|
Not recorded
|
E7H 4-[[(5~{S},7~{R})-3-azanyl-1-adamantyl]carbonylamino]-1~{H}-indole-2-carboxamide × 1
GOL GLYCEROL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;295 K;PEG 3350, 100 mM HEPES pH 7.5
|
Resolution 1.67 Å
R-free 0.214
|
|
6FTZ
COMPLEMENT FACTOR D COMPLEXED WITH COMPOUND 6
Deposited 2018-02-26
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
26–253(228 aa)
|
Not recorded
|
E7E ~{N}4-[3-(aminomethyl)phenyl]-1~{H}-indole-2,4-dicarboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;295 K;PEG3350, 100 mM HEPES pH 7.5
|
Resolution 1.67 Å
R-free 0.220
|
|
6FUG
Complement factor D in complex with the inhibitor 3-((3-((3-(aminomethyl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)phenol
Deposited 2018-02-27
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
26–253(228 aa)
|
Not recorded
|
E85 3-[[3-[[3-(aminomethyl)phenyl]amino]-1~{H}-pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;25% PEG3350, 100 mM TRIS pH 8.5
|
Resolution 2.21 Å
R-free 0.259
|
|
6FUG
Complement factor D in complex with the inhibitor 3-((3-((3-(aminomethyl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)phenol
Deposited 2018-02-27
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
26–253(228 aa)
|
Not recorded
|
E85 3-[[3-[[3-(aminomethyl)phenyl]amino]-1~{H}-pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;25% PEG3350, 100 mM TRIS pH 8.5
|
Resolution 2.21 Å
R-free 0.259
|
|
6FUG
Complement factor D in complex with the inhibitor 3-((3-((3-(aminomethyl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)phenol
Deposited 2018-02-27
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain C
26–253(228 aa)
|
Not recorded
|
E85 3-[[3-[[3-(aminomethyl)phenyl]amino]-1~{H}-pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;25% PEG3350, 100 mM TRIS pH 8.5
|
Resolution 2.21 Å
R-free 0.259
|
|
6FUG
Complement factor D in complex with the inhibitor 3-((3-((3-(aminomethyl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)phenol
Deposited 2018-02-27
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 4
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain D
26–253(228 aa)
|
Not recorded
|
E85 3-[[3-[[3-(aminomethyl)phenyl]amino]-1~{H}-pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;25% PEG3350, 100 mM TRIS pH 8.5
|
Resolution 2.21 Å
R-free 0.259
|
|
6FUG
Complement factor D in complex with the inhibitor 3-((3-((3-(aminomethyl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)phenol
Deposited 2018-02-27
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 5
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain E
26–253(228 aa)
|
Not recorded
|
E85 3-[[3-[[3-(aminomethyl)phenyl]amino]-1~{H}-pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;25% PEG3350, 100 mM TRIS pH 8.5
|
Resolution 2.21 Å
R-free 0.259
|
|
6FUG
Complement factor D in complex with the inhibitor 3-((3-((3-(aminomethyl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)phenol
Deposited 2018-02-27
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 6
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain F
26–253(228 aa)
|
Not recorded
|
E85 3-[[3-[[3-(aminomethyl)phenyl]amino]-1~{H}-pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;25% PEG3350, 100 mM TRIS pH 8.5
|
Resolution 2.21 Å
R-free 0.259
|
|
6FUH
Complement factor D in complex with the inhibitor (4-((3-(aminomethyl)phenyl)amino)quinazolin-2-yl)-L-valine
Deposited 2018-02-27
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
26–253(228 aa)
|
Not recorded
|
E88 (2~{S})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]-3-methyl-butanoic acid × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;25% PEG3350, 100 mM TRIS pH 8.5, 200 mM NH4SO2, 2 mM inhibitor
|
Resolution 1.37 Å
R-free 0.180
|
|
6FUI
Complement factor D in complex with the inhibitor 3-((3-((3-(aminomethyl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)phenol
Deposited 2018-02-27
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
26–253(228 aa)
|
Not recorded
|
E7W (1~{R},2~{S})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;22-25% PEG3350, 100 mM HEPES pH 7.5
|
Resolution 1.38 Å
R-free 0.198
|
|
6FUJ
Complement factor D in complex with the inhibitor N-(3'-(aminomethyl)-[1,1'-biphenyl]-3-yl)-3-methylbutanamide
Deposited 2018-02-27
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
26–253(228 aa)
|
Not recorded
|
E8B ~{N}-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-butanamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;22-25% PEG3350, 100 mM HEPES pH 7.5, 2 mM inhibitor
|
Resolution 2.25 Å
R-free 0.244
|
|
6FUJ
Complement factor D in complex with the inhibitor N-(3'-(aminomethyl)-[1,1'-biphenyl]-3-yl)-3-methylbutanamide
Deposited 2018-02-27
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
26–253(228 aa)
|
Not recorded
|
E8B ~{N}-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-butanamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;22-25% PEG3350, 100 mM HEPES pH 7.5, 2 mM inhibitor
|
Resolution 2.25 Å
R-free 0.244
|
|
6FUJ
Complement factor D in complex with the inhibitor N-(3'-(aminomethyl)-[1,1'-biphenyl]-3-yl)-3-methylbutanamide
Deposited 2018-02-27
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain C
26–253(228 aa)
|
Not recorded
|
E8B ~{N}-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-butanamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;22-25% PEG3350, 100 mM HEPES pH 7.5, 2 mM inhibitor
|
Resolution 2.25 Å
R-free 0.244
|
|
6FUJ
Complement factor D in complex with the inhibitor N-(3'-(aminomethyl)-[1,1'-biphenyl]-3-yl)-3-methylbutanamide
Deposited 2018-02-27
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 4
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain D
26–253(228 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;22-25% PEG3350, 100 mM HEPES pH 7.5, 2 mM inhibitor
|
Resolution 2.25 Å
R-free 0.244
|
|
6FUJ
Complement factor D in complex with the inhibitor N-(3'-(aminomethyl)-[1,1'-biphenyl]-3-yl)-3-methylbutanamide
Deposited 2018-02-27
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 5
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain E
26–253(228 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;22-25% PEG3350, 100 mM HEPES pH 7.5, 2 mM inhibitor
|
Resolution 2.25 Å
R-free 0.244
|
|
6FUJ
Complement factor D in complex with the inhibitor N-(3'-(aminomethyl)-[1,1'-biphenyl]-3-yl)-3-methylbutanamide
Deposited 2018-02-27
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 6
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain F
26–253(228 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;22-25% PEG3350, 100 mM HEPES pH 7.5, 2 mM inhibitor
|
Resolution 2.25 Å
R-free 0.244
|
|
6FUT
Complement factor D in complex with the inhibitor (S)-3'-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,1'-biphenyl]-3-carboxamide
Deposited 2018-02-27
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
26–253(228 aa)
|
Not recorded
|
E82 3-[3-(aminomethyl)phenyl]-~{N}-[(1~{S})-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide × 1
SIN SUCCINIC ACID × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;22-25% PEG3350, 100 mM HEPES pH 7.5
|
Resolution 1.50 Å
R-free 0.184
|
|
6QMR
Complement factor D in complex with the inhibitor (S)-2-(2-((3'-(1-amino-2-hydroxyethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)acetic acid
Deposited 2019-02-08
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
2–253(252 aa)
|
Not recorded
|
J6T 2-[2-[[3-[3-[(1~{S})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;30% PEG MME 2000, 0.1M sodium thiocyanate
|
Resolution 2.00 Å
R-free 0.256
|
|
6QMR
Complement factor D in complex with the inhibitor (S)-2-(2-((3'-(1-amino-2-hydroxyethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)acetic acid
Deposited 2019-02-08
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
2–253(252 aa)
|
Not recorded
|
J6T 2-[2-[[3-[3-[(1~{S})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;30% PEG MME 2000, 0.1M sodium thiocyanate
|
Resolution 2.00 Å
R-free 0.256
|
|
6QMR
Complement factor D in complex with the inhibitor (S)-2-(2-((3'-(1-amino-2-hydroxyethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)acetic acid
Deposited 2019-02-08
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain C
2–253(252 aa)
|
Not recorded
|
J6T 2-[2-[[3-[3-[(1~{S})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;30% PEG MME 2000, 0.1M sodium thiocyanate
|
Resolution 2.00 Å
R-free 0.256
|
|
6QMR
Complement factor D in complex with the inhibitor (S)-2-(2-((3'-(1-amino-2-hydroxyethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)acetic acid
Deposited 2019-02-08
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 4
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain D
2–253(252 aa)
|
Not recorded
|
J6T 2-[2-[[3-[3-[(1~{S})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;30% PEG MME 2000, 0.1M sodium thiocyanate
|
Resolution 2.00 Å
R-free 0.256
|
|
6QMR
Complement factor D in complex with the inhibitor (S)-2-(2-((3'-(1-amino-2-hydroxyethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)acetic acid
Deposited 2019-02-08
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 5
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain E
2–253(252 aa)
|
Not recorded
|
J6T 2-[2-[[3-[3-[(1~{S})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;30% PEG MME 2000, 0.1M sodium thiocyanate
|
Resolution 2.00 Å
R-free 0.256
|
|
6QMR
Complement factor D in complex with the inhibitor (S)-2-(2-((3'-(1-amino-2-hydroxyethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)acetic acid
Deposited 2019-02-08
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 6
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain F
2–253(252 aa)
|
Not recorded
|
J6T 2-[2-[[3-[3-[(1~{S})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;30% PEG MME 2000, 0.1M sodium thiocyanate
|
Resolution 2.00 Å
R-free 0.256
|
|
6QMT
Complement factor D in complex with the inhibitor 2-(2-(3'-(aminomethyl)-[1,1'-biphenyl]-3-carboxamido)phenyl)acetic acid
Deposited 2019-02-08
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
2–253(252 aa)
|
Not recorded
|
J7B 2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoic acid × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.5;293 K;25% PEGME 3350, 100 mM Bis-Tris pH 5.5
|
Resolution 1.80 Å
R-free 0.231
|
|
6QMT
Complement factor D in complex with the inhibitor 2-(2-(3'-(aminomethyl)-[1,1'-biphenyl]-3-carboxamido)phenyl)acetic acid
Deposited 2019-02-08
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
2–253(252 aa)
|
Not recorded
|
J7B 2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoic acid × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.5;293 K;25% PEGME 3350, 100 mM Bis-Tris pH 5.5
|
Resolution 1.80 Å
R-free 0.231
|
|
6VMJ
Crystal structure of human Complement Factor D with anti-Factor D Fab 20D12
Deposited 2020-01-28
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain Z
26–253(228 aa)
|
Not recorded
|
CIT CITRIC ACID × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;277 K;0.1 M sodium cacodylate pH 6.5, 1 M sodium citrate
|
Resolution 2.95 Å
R-free 0.265
|
|
6VMJ
Crystal structure of human Complement Factor D with anti-Factor D Fab 20D12
Deposited 2020-01-28
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain Y
26–253(228 aa)
|
Not recorded
|
CIT CITRIC ACID × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;277 K;0.1 M sodium cacodylate pH 6.5, 1 M sodium citrate
|
Resolution 2.95 Å
R-free 0.265
|
|
6VMJ
Crystal structure of human Complement Factor D with anti-Factor D Fab 20D12
Deposited 2020-01-28
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain X
26–253(228 aa)
|
Not recorded
|
CIT CITRIC ACID × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;277 K;0.1 M sodium cacodylate pH 6.5, 1 M sodium citrate
|
Resolution 2.95 Å
R-free 0.265
|
|
6VMJ
Crystal structure of human Complement Factor D with anti-Factor D Fab 20D12
Deposited 2020-01-28
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 4
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain W
26–253(228 aa)
|
Not recorded
|
CIT CITRIC ACID × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;277 K;0.1 M sodium cacodylate pH 6.5, 1 M sodium citrate
|
Resolution 2.95 Å
R-free 0.265
|
|
8D95
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
Deposited 2022-06-09
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
26–253(228 aa)
|
Not recorded
|
QIE N-(6-bromopyridin-2-yl)-1-[(3-cyanophenyl)acetyl]-L-prolinamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 5.8;300 K;PEG 6k
|
Resolution 2.17 Å
R-free 0.263
|
|
8DEA
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
Deposited 2022-06-20
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
26–253(228 aa)
|
Not recorded
|
R7X 1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 5.8;293 K;peg4k 25% , 0.1M MES 5.8 buffer
|
Resolution 2.21 Å
R-free 0.300
|
|
8DEA
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
Deposited 2022-06-20
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
26–253(228 aa)
|
Not recorded
|
R7X 1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 5.8;293 K;peg4k 25% , 0.1M MES 5.8 buffer
|
Resolution 2.21 Å
R-free 0.300
|
|
8DEA
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
Deposited 2022-06-20
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain C
26–253(228 aa)
|
Not recorded
|
R7X 1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide × 1
GOL GLYCEROL × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 5.8;293 K;peg4k 25% , 0.1M MES 5.8 buffer
|
Resolution 2.21 Å
R-free 0.300
|
|
8DEA
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
Deposited 2022-06-20
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 4
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain D
26–253(228 aa)
|
Not recorded
|
R7X 1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 5.8;293 K;peg4k 25% , 0.1M MES 5.8 buffer
|
Resolution 2.21 Å
R-free 0.300
|
|
8DG6
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
Deposited 2022-06-23
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
26–253(228 aa)
|
Not recorded
|
S7X 1-{2-[(2S)-2-{[(3-chloro-2-fluorophenyl)methyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}-1H-indazole-3-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 5.8;300 K;peg4k 20-30%
|
Resolution 1.99 Å
R-free 0.251
|