5R8U
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PANDDA ANALYSIS GROUP DEPOSITION FORM1 MAP KINASE P38-ALPHA -- FRAGMENT N05703B IN COMPLEX WITH MAP KINASE P38-ALPHA
Descriptor:Mitogen-activated protein kinase 14, 3,4-dihydro-2~{H}-chromene-6-carboxamide, CHLORIDE ION, ...
Authors:De Nicola, G.F., Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R8V
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PANDDA ANALYSIS GROUP DEPOSITION FORM1 MAP KINASE P38-ALPHA -- FRAGMENT N09139B IN COMPLEX WITH MAP KINASE P38-ALPHA
Descriptor:Mitogen-activated protein kinase 14, ~{N}-(3-oxidanyl-4-propyl-phenyl)ethanamide, CHLORIDE ION, ...
Authors:De Nicola, G.F., Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (1.479 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R8W
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PANDDA ANALYSIS GROUP DEPOSITION FORM1 MAP KINASE P38-ALPHA -- FRAGMENT K00283C IN COMPLEX WITH MAP KINASE P38-ALPHA
Descriptor:Mitogen-activated protein kinase 14, 6-ethylthieno[2,3-d]pyrimidin-4(3H)-one, CHLORIDE ION, ...
Authors:De Nicola, G.F., Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R8X
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PANDDA ANALYSIS GROUP DEPOSITION FORM1 MAP KINASE P38-ALPHA -- FRAGMENT N11396A IN COMPLEX WITH MAP KINASE P38-ALPHA
Descriptor:Mitogen-activated protein kinase 14, (2-phenoxyphenyl)methanamine, CHLORIDE ION, ...
Authors:De Nicola, G.F., Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R8Y
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PANDDA ANALYSIS GROUP DEPOSITION FORM1 MAP KINASE P38-ALPHA -- FRAGMENT N08078B IN COMPLEX WITH MAP KINASE P38-ALPHA
Descriptor:Mitogen-activated protein kinase 14, thiophene-2-carbothioamide, CHLORIDE ION, ...
Authors:De Nicola, G.F., Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (1.679 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R8Z
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PANDDA ANALYSIS GROUP DEPOSITION FORM1 MAP KINASE P38-ALPHA -- FRAGMENT N01381C IN COMPLEX WITH MAP KINASE P38-ALPHA
Descriptor:Mitogen-activated protein kinase 14, 6-methoxypyridine-3-carbothioamide, CHLORIDE ION, ...
Authors:De Nicola, G.F., Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R90
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PANDDA ANALYSIS GROUP DEPOSITION FORM1 MAP KINASE P38-ALPHA -- FRAGMENT N11145A IN COMPLEX WITH MAP KINASE P38-ALPHA
Descriptor:Mitogen-activated protein kinase 14, 2,5-diphenyl-4~{H}-pyrazol-3-one, CHLORIDE ION, ...
Authors:De Nicola, G.F., Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (1.619 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R91
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PANDDA ANALYSIS GROUP DEPOSITION FORM1 MAP KINASE P38-ALPHA -- FRAGMENT KCL057 IN COMPLEX WITH MAP KINASE P38-ALPHA
Descriptor:Mitogen-activated protein kinase 14, 2-[4-(2-aminophenyl)piperazin-1-yl]ethanol, CHLORIDE ION, ...
Authors:De Nicola, G.F., Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (1.731 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R92
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PANDDA ANALYSIS GROUP DEPOSITION FORM1 MAP KINASE P38-ALPHA -- FRAGMENT KCL063 IN COMPLEX WITH MAP KINASE P38-ALPHA
Descriptor:Mitogen-activated protein kinase 14, (3~{S})-~{N}-methoxy-1-(4-methoxyphenyl)-~{N}-methyl-5-oxidanylidene-pyrrolidine-3-carboxamide, CHLORIDE ION, ...
Authors:De Nicola, G.F., Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R93
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PANDDA ANALYSIS GROUP DEPOSITION FORM1 MAP KINASE P38-ALPHA -- FRAGMENT KCL077 IN COMPLEX WITH MAP KINASE P38-ALPHA
Descriptor:Mitogen-activated protein kinase 14, ~{N}4-phenylbenzene-1,4-diamine, CHLORIDE ION, ...
Authors:De Nicola, G.F., Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (1.489 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R94
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PANDDA ANALYSIS GROUP DEPOSITION FORM1 MAP KINASE P38-ALPHA -- FRAGMENT KCL081 IN COMPLEX WITH MAP KINASE P38-ALPHA
Descriptor:Mitogen-activated protein kinase 14, 5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-methyl-benzenecarbonitrile, CHLORIDE ION, ...
Authors:De Nicola, G.F., Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R95
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PANDDA ANALYSIS GROUP DEPOSITION FORM1 MAP KINASE P38-ALPHA -- FRAGMENT KCL093 IN COMPLEX WITH MAP KINASE P38-ALPHA
Descriptor:Mitogen-activated protein kinase 14, 1-(4-aminophenyl)pyrrole-2,5-dione, CHLORIDE ION, ...
Authors:De Nicola, G.F., Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R96
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PANDDA ANALYSIS GROUP DEPOSITION FORM1 MAP KINASE P38-ALPHA -- FRAGMENT KCL095 IN COMPLEX WITH MAP KINASE P38-ALPHA
Descriptor:Mitogen-activated protein kinase 14, 3-(4-chlorophenyl)imidazole-2,4-dione, CHLORIDE ION, ...
Authors:De Nicola, G.F., Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (1.767 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R97
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PANDDA ANALYSIS GROUP DEPOSITION FORM1 MAP KINASE P38-ALPHA -- FRAGMENT N13662A IN COMPLEX WITH MAP KINASE P38-ALPHA
Descriptor:Mitogen-activated protein kinase 14, 4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine, CHLORIDE ION, ...
Authors:De Nicola, G.F., Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (1.438 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R98
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PANDDA ANALYSIS GROUP DEPOSITION FORM1 MAP KINASE P38-ALPHA -- FRAGMENT N14109A IN COMPLEX WITH MAP KINASE P38-ALPHA
Descriptor:Mitogen-activated protein kinase 14, 2-cyano-~{N}-[4-(trifluoromethyloxy)phenyl]ethanamide, CHLORIDE ION, ...
Authors:De Nicola, G.F., Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R99
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PANDDA ANALYSIS GROUP DEPOSITION FORM1 MAP KINASE P38-ALPHA -- FRAGMENT N13619A IN COMPLEX WITH MAP KINASE P38-ALPHA
Descriptor:Mitogen-activated protein kinase 14, 3-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]propanenitrile, CHLORIDE ION, ...
Authors:De Nicola, G.F., Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R9A
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PANDDA ANALYSIS GROUP DEPOSITION FORM1 MAP KINASE P38-ALPHA -- FRAGMENT N13838A IN COMPLEX WITH MAP KINASE P38-ALPHA
Descriptor:Mitogen-activated protein kinase 14, 4-benzamido-2-methyl-pyrazole-3-carboxamide, CHLORIDE ION, ...
Authors:De Nicola, G.F., Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R9B
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PANDDA ANALYSIS GROUP DEPOSITION FORM1 MAP KINASE P38-ALPHA -- FRAGMENT N13866A IN COMPLEX WITH MAP KINASE P38-ALPHA
Descriptor:Mitogen-activated protein kinase 14, {N}-[(2~{S})-1-diazanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]ethanamide, CHLORIDE ION, ...
Authors:De Nicola, G.F., Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (1.657 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R9C
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PANDDA ANALYSIS GROUP DEPOSITION FORM1 MAP KINASE P38-ALPHA -- FRAGMENT N14074A IN COMPLEX WITH MAP KINASE P38-ALPHA
Descriptor:Mitogen-activated protein kinase 14, 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine, CHLORIDE ION, ...
Authors:De Nicola, G.F., Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R9D
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PANDDA ANALYSIS GROUP DEPOSITION FORM1 MAP KINASE P38-ALPHA -- FRAGMENT S00888C IN COMPLEX WITH MAP KINASE P38-ALPHA
Descriptor:Mitogen-activated protein kinase 14, benzyl hydroxycarbamate, CHLORIDE ION, ...
Authors:De Nicola, G.F., Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R9E
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PANDDA ANALYSIS GROUP DEPOSITION FORM1 MAP KINASE P38-ALPHA -- FRAGMENT N13693A IN COMPLEX WITH MAP KINASE P38-ALPHA
Descriptor:Mitogen-activated protein kinase 14, ~{N}-(2-ethyl-1,2,3,4-tetrazol-5-yl)butanamide, CHLORIDE ION, ...
Authors:De Nicola, G.F., Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (1.775 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R9F
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PANDDA ANALYSIS GROUP DEPOSITION FORM1 MAP KINASE P38-ALPHA -- FRAGMENT N13724A IN COMPLEX WITH MAP KINASE P38-ALPHA
Descriptor:Mitogen-activated protein kinase 14, 2-(4-aminophenyl)benzoic acid, CHLORIDE ION, ...
Authors:De Nicola, G.F., Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (1.986 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R9G
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PANDDA ANALYSIS GROUP DEPOSITION FORM1 MAP KINASE P38-ALPHA -- FRAGMENT PC587 IN COMPLEX WITH MAP KINASE P38-ALPHA
Descriptor:Mitogen-activated protein kinase 14, (4R,4aS,7aS,9S)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol, CHLORIDE ION, ...
Authors:De Nicola, G.F., Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R9H
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PANDDA ANALYSIS GROUP DEPOSITION FORM1 MAP KINASE P38-ALPHA -- FRAGMENT TCJ658 IN COMPLEX WITH MAP KINASE P38-ALPHA
Descriptor:Mitogen-activated protein kinase 14, methyl (2~{S})-2-(4-methoxypyridin-2-yl)propanoate, CHLORIDE ION, ...
Authors:De Nicola, G.F., Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R9I
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PANDDA ANALYSIS GROUP DEPOSITION FORM1 MAP KINASE P38-ALPHA -- FRAGMENT TCJ795 IN COMPLEX WITH MAP KINASE P38-ALPHA
Descriptor:Mitogen-activated protein kinase 14, methyl (2~{R})-3-(4-bromophenyl)-2-pyridin-4-yl-propanoate, CHLORIDE ION, ...
Authors:De Nicola, G.F., Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (1.813 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
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PDB entries from 2020-08-12