7C02
 
 | | Crystal structure of dimeric MERS-CoV receptor binding domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Dai, L, Qi, J, Gao, G.F. | | Deposit date: | 2020-04-30 | | Release date: | 2020-07-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | A Universal Design of Betacoronavirus Vaccines against COVID-19, MERS, and SARS.
Cell, 182, 2020
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6XJX
 | | MCU holocomplex in Low-calcium blocking state | | Descriptor: | Calcium uniporter protein, mitochondrial, Calcium uptake protein 1, ... | | Authors: | Wang, Y, Jiang, Y. | | Deposit date: | 2020-06-24 | | Release date: | 2020-09-09 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Structural insights into the Ca 2+ -dependent gating of the human mitochondrial calcium uniporter.
Elife, 9, 2020
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6XJV
 | | MCU holocomplex in High-calcium state | | Descriptor: | Calcium uniporter protein, mitochondrial, Calcium uptake protein 1, ... | | Authors: | Wang, Y, Jiang, Y. | | Deposit date: | 2020-06-24 | | Release date: | 2020-09-09 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.17 Å) | | Cite: | Structural insights into the Ca 2+ -dependent gating of the human mitochondrial calcium uniporter.
Elife, 9, 2020
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6PU7
 | | Human IDO1 in complex with compound 17 (N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide) | | Descriptor: | Indoleamine 2,3-dioxygenase 1, N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Lesburg, C.A. | | Deposit date: | 2019-07-17 | | Release date: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Discovery of Amino-cyclobutarene-derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors for Cancer Immunotherapy.
Acs Med.Chem.Lett., 10, 2019
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6WPE
 | | HUMAN IDO1 IN COMPLEX WITH COMPOUND 4 | | Descriptor: | 4-chloro-N-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide, Indoleamine 2,3-dioxygenase 1 | | Authors: | Lesburg, C.A, Lammens, A. | | Deposit date: | 2020-04-27 | | Release date: | 2021-03-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Carbamate and N -Pyrimidine Mitigate Amide Hydrolysis: Structure-Based Drug Design of Tetrahydroquinoline IDO1 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
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8X6B
 | | Crystal structure of immune receptor PVRIG in complex with ligand Nectin-2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Nectin-2, Transmembrane protein PVRIG | | Authors: | Hu, S.T, Han, P, Wang, H, Qi, J.X. | | Deposit date: | 2023-11-21 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for the immune recognition and selectivity of the immune receptor PVRIG for ligand Nectin-2.
Structure, 2024
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6CWQ
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6CJG
 | | Human dihydroorotate dehydrogenase bound to napthyridine inhibitor 46 | | Descriptor: | 2-([1,1'-biphenyl]-4-yl)-3-methyl-1,7-naphthyridine-4-carboxylic acid, 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Petrunak, E.M, Stuckey, J.A. | | Deposit date: | 2018-02-26 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.851 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase.
J. Med. Chem., 61, 2018
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6CWO
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6CJF
 | | Human dihydroorotate dehydrogenase bound to 4-quinoline carboxylic acid inhibitor 43 | | Descriptor: | 2-[4-(2-chloro-6-methylpyridin-3-yl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid, 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Petrunak, E.M, Stuckey, J.A. | | Deposit date: | 2018-02-26 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase.
J. Med. Chem., 61, 2018
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6YXJ
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6CWP
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7BZG
 | | Structure of Bacillus subtilis HxlR, wild type in complex with formaldehyde and DNA | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*CP*AP*GP*TP*AP*TP*CP*CP*TP*CP*GP*AP*GP*GP*AP*TP*AP*CP*TP*G)-3'), ... | | Authors: | Zhu, R, Chen, P.R. | | Deposit date: | 2020-04-27 | | Release date: | 2021-02-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Genetically encoded formaldehyde sensors inspired by a protein intra-helical crosslinking reaction.
Nat Commun, 12, 2021
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7BZD
 | | Structure of Bacillus subtilis HxlR, wild type | | Descriptor: | HTH-type transcriptional activator HxlR | | Authors: | Zhu, R, Chen, P.R. | | Deposit date: | 2020-04-27 | | Release date: | 2021-02-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.612 Å) | | Cite: | Genetically encoded formaldehyde sensors inspired by a protein intra-helical crosslinking reaction.
Nat Commun, 12, 2021
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7BZE
 | | Structure of Bacillus subtilis HxlR, K13A mutant | | Descriptor: | DI(HYDROXYETHYL)ETHER, HTH-type transcriptional activator HxlR | | Authors: | Zhu, R, Chen, P.R. | | Deposit date: | 2020-04-27 | | Release date: | 2021-02-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.658 Å) | | Cite: | Genetically encoded formaldehyde sensors inspired by a protein intra-helical crosslinking reaction.
Nat Commun, 12, 2021
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7BQ5
 | | ZIKV sE bound to mAb Z6 | | Descriptor: | Z6 Light Chain, Z6 heavy chain, envelope protein | | Authors: | Dai, L, Qi, J, Gao, G.F. | | Deposit date: | 2020-03-24 | | Release date: | 2021-03-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Protective Zika vaccines engineered to eliminate enhancement of dengue infection via immunodominance switch.
Nat.Immunol., 22, 2021
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7BPK
 | | Zika virus envelope protein mutant bound to mAb | | Descriptor: | Envelope protein, IG c307_light_IGLV1-51_IGLJ2, Z3L1 Heavy chain | | Authors: | Dai, L, Qi, J, Gao, G.F. | | Deposit date: | 2020-03-23 | | Release date: | 2021-03-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Protective Zika vaccines engineered to eliminate enhancement of dengue infection via immunodominance switch.
Nat.Immunol., 22, 2021
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7P3Y
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7P3Z
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7P3X
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1OQF
 | | Crystal structure of the 2-methylisocitrate lyase | | Descriptor: | 2-methylisocitrate lyase | | Authors: | Liu, S, Lu, Z, Dunaway-Mariano, D, Herzberg, O, Structure 2 Function Project (S2F) | | Deposit date: | 2003-03-08 | | Release date: | 2004-04-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal structures of 2-methylisocitrate lyase in complex with product and with isocitrate inhibitor provide insight into lyase substrate specificity, catalysis and evolution.
Biochemistry, 44, 2005
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8XMS
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6WJY
 | | HUMAN IDO1 IN COMPLEX WITH COMPOUND 4-A | | Descriptor: | 3-chloro-N-(3-{(2S)-1-[(4-fluorophenyl)amino]-1-oxopropan-2-yl}bicyclo[1.1.1]pentan-1-yl)benzamide, Indoleamine 2,3-dioxygenase 1 | | Authors: | Lesburg, C.A, Lammens, A, Neumann, L. | | Deposit date: | 2020-04-14 | | Release date: | 2020-08-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Discovery of Potent and Orally Available Bicyclo[1.1.1]pentane-Derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors.
Acs Med.Chem.Lett., 11, 2020
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6X5Y
 | | IDO1 in complex with compound 4 | | Descriptor: | 4-fluoro-N-{1-[5-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl]cyclopropyl}benzamide, Indoleamine 2,3-dioxygenase 1 | | Authors: | Lesburg, C.A, Lammens, A. | | Deposit date: | 2020-05-27 | | Release date: | 2021-06-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Utilization of MetID and Structural Data to Guide Placement of Spiro and Fused Cyclopropyl Groups for the Synthesis of Low Dose IDO1 Inhibitors
To Be Published
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6V52
 | | IDO1 IN COMPLEX WITH COMPOUND 1 | | Descriptor: | 3-chloro-N-{4-[1-(propylcarbamoyl)cyclobutyl]phenyl}benzamide, Indoleamine 2,3-dioxygenase 1 | | Authors: | Lesburg, C.A, Koenig, K.V, Augustin, M.A. | | Deposit date: | 2019-12-03 | | Release date: | 2020-04-08 | | Last modified: | 2020-04-29 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Strategic Incorporation of Polarity in Heme-Displacing Inhibitors of Indoleamine-2,3-dioxygenase-1 (IDO1).
Acs Med.Chem.Lett., 11, 2020
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