5VDV
 
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5VDT
 | | Human cyclic GMP-AMP synthase (cGAS) in complex with 3',3'-cGAMP | | Descriptor: | 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Byrnes, L.J, Hall, J.D. | | Deposit date: | 2017-04-03 | | Release date: | 2017-09-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.576 Å) | | Cite: | The catalytic mechanism of cyclic GMP-AMP synthase (cGAS) and implications for innate immunity and inhibition.
Protein Sci., 26, 2017
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5VDS
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5VDW
 | | Human cyclic GMP-AMP synthase (cGAS) in complex with Compound F1 | | Descriptor: | Cyclic GMP-AMP synthase, ZINC ION, [2-(1,3-thiazol-4-yl)-1H-benzimidazol-1-yl]acetic acid | | Authors: | Byrnes, L.J, Hall, J.D. | | Deposit date: | 2017-04-03 | | Release date: | 2017-09-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.711 Å) | | Cite: | The catalytic mechanism of cyclic GMP-AMP synthase (cGAS) and implications for innate immunity and inhibition.
Protein Sci., 26, 2017
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5VDQ
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4LT4
 | | Crystal structure of arginine inhibited Ribosome inactivating protein from Momordica balsamina at 1.69 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ARGININE, GLYCEROL, ... | | Authors: | Yamini, S, Pandey, S, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2013-07-23 | | Release date: | 2013-08-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Crystal structure of arginine inhibited Ribosome inactivating protein from Momordica balsamina at 1.69 A resolution
To be Published
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8UH7
 | | Structure of T4 Bacteriophage clamp loader bound to the T4 clamp, primer-template DNA, and ATP analog | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Primer DNA strand, ... | | Authors: | Gee, C.L, Marcus, K, Kelch, B.A, Makino, D.L. | | Deposit date: | 2023-10-07 | | Release date: | 2023-12-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.628 Å) | | Cite: | Autoinhibition of a clamp-loader ATPase revealed by deep mutagenesis and cryo-EM.
Nat.Struct.Mol.Biol., 31, 2024
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5T7V
 | | Methicillin Resistant, Linezolid resistant Staphylococcus aureus 70S ribosome (delta S145 uL3) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Belousoff, M.J, Lithgow, T, Eyal, Z, Yonath, A, Radjainia, M. | | Deposit date: | 2016-09-06 | | Release date: | 2017-05-31 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural Basis for Linezolid Binding Site Rearrangement in theStaphylococcus aureusRibosome.
MBio, 8, 2017
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7RCU
 | | Synthetic Max homodimer mimic in complex with DNA | | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, 2-(2,5-dioxopyrrolidin-1-yl)acetamide, ACETAMIDE, ... | | Authors: | Speltz, T, Qiao, Z, Shangguan, S, Fanning, S, Greene, J, Moellering, R. | | Deposit date: | 2021-07-08 | | Release date: | 2022-09-14 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Targeting MYC with modular synthetic transcriptional repressors derived from bHLH DNA-binding domains.
Nat.Biotechnol., 41, 2023
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5HI3
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5HI5
 | | Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists | | Descriptor: | (4S,20R)-7-chloro-N-methyl-4-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-3,18-dioxo-2,19-diazatetracyclo[20.2.2.1~6,10~.1~11,15~]octacosa-1(24),6(28),7,9,11(27),12,14,22,25-nonaene-20-carboxamide, CAT-2000 FAB heavy chain, CAT-2000 light chain, ... | | Authors: | Liu, S. | | Deposit date: | 2016-01-11 | | Release date: | 2016-08-31 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists.
Sci Rep, 6, 2016
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5TRF
 | | MDM2 in complex with SAR405838 | | Descriptor: | (2'S,3R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ... | | Authors: | Meagher, J.L, Stuckey, J.A. | | Deposit date: | 2016-10-26 | | Release date: | 2016-11-09 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | SAR405838: an optimized inhibitor of MDM2-p53 interaction that induces complete and durable tumor regression.
Cancer Res., 74, 2014
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6NAO
 | | Discovery of a high affinity inhibitor of cGAS | | Descriptor: | (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid, CYCLIC GMP-AMP SYNTHASE, ZINC ION | | Authors: | Hall, J. | | Deposit date: | 2018-12-06 | | Release date: | 2018-12-19 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.23 Å) | | Cite: | Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay.
PLoS ONE, 12, 2017
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5HI4
 | | Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists | | Descriptor: | (9'S,17'R)-6'-chloro-N-methyl-9'-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-10',19'-dioxo-2'-oxa-11',18'-diazaspiro[cyclopentane-1,21'-tetracyclo[20.2.2.2~12,15~.1~3,7~]nonacosane]-1'(24'),3'(29'),4',6',12',14',22',25',27'-nonaene-17'-carboxamide, CAT-2000 FAB heavy chain, CAT-2000 FAB light chain, ... | | Authors: | Liu, S. | | Deposit date: | 2016-01-11 | | Release date: | 2016-08-31 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists.
Sci Rep, 6, 2016
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8SXS
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7SN0
 | | Crystal structure of spike protein receptor binding domain of escape mutant SARS-CoV-2 from immunocompromised patient (d146*) in complex with human receptor ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Pan, J, Abraham, J, Clark, S. | | Deposit date: | 2021-10-27 | | Release date: | 2021-12-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.08 Å) | | Cite: | Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain.
Science, 375, 2022
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7SN1
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5V8O
 | | Discovery of a high affinity inhibitor of cGAS | | Descriptor: | 5-phenyltetrazolo[1,5-a]pyrimidin-7-ol, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Hall, J. | | Deposit date: | 2017-03-22 | | Release date: | 2017-09-27 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay.
PLoS ONE, 12, 2017
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5KUI
 | | Human mitochondrial calcium uniporter (residues 72-189) crystal structure with calcium. | | Descriptor: | Calcium uniporter protein, mitochondrial | | Authors: | Mok, M.C.Y, Lee, S.K, Junop, M.S, Stathopulos, P.B. | | Deposit date: | 2016-07-13 | | Release date: | 2016-09-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.701 Å) | | Cite: | Structural Insights into Mitochondrial Calcium Uniporter Regulation by Divalent Cations.
Cell Chem Biol, 23, 2016
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5HHV
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5HHX
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5KUJ
 | | Human mitochondrial calcium uniporter (residues 72-189) crystal structure with magnesium. | | Descriptor: | Calcium uniporter protein, mitochondrial, MAGNESIUM ION | | Authors: | Mok, M.C.Y, Lee, S.K, Junop, M.S, Stathopulos, P.B. | | Deposit date: | 2016-07-13 | | Release date: | 2016-09-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Insights into Mitochondrial Calcium Uniporter Regulation by Divalent Cations.
Cell Chem Biol, 23, 2016
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5KUG
 | | Human mitochondrial calcium uniporter (residues 72-189) crystal structure with lithium | | Descriptor: | Calcium uniporter protein, mitochondrial | | Authors: | Mok, M.C.Y, Lee, S.K, Junop, M.S, Stathopulos, P.B. | | Deposit date: | 2016-07-13 | | Release date: | 2016-09-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Insights into Mitochondrial Calcium Uniporter Regulation by Divalent Cations.
Cell Chem Biol, 23, 2016
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4X1K
 | | Discovery of cytotoxic Dolastatin 10 analogs with N-terminal modifications | | Descriptor: | 2-methyl-L-alanyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Parris, K.D. | | Deposit date: | 2014-11-24 | | Release date: | 2015-03-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Discovery of cytotoxic dolastatin 10 analogues with N-terminal modifications.
J.Med.Chem., 57, 2014
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4X20
 | | Discovery of cytotoxic Dolastatin 10 analogs with N-terminal modifications | | Descriptor: | 2-methyl-L-prolyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Parris, K.D. | | Deposit date: | 2014-11-25 | | Release date: | 2015-03-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Discovery of cytotoxic dolastatin 10 analogues with N-terminal modifications.
J.Med.Chem., 57, 2014
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