7UZO
 
 | | Parathyroid hormone 1 receptor extracellular domain complexed with a peptide ligand containing one beta-amino acid | | Descriptor: | Parathyroid hormone/parathyroid hormone-related peptide receptor, Peptide from Parathyroid hormone-related protein, ZINC ION | | Authors: | Yu, Z, Bruchs, A.T, Bingman, C.A, Gellman, S.H. | | Deposit date: | 2022-05-09 | | Release date: | 2022-10-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Altered signaling at the PTH receptor via modified agonist contacts with the extracellular domain provides a path to prolonged agonism in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7UZP
 | | parathyroid hormone 1 receptor extracellular domain complexed with a peptide ligand containing three beta-amino acids | | Descriptor: | 1,2-ETHANEDIOL, PTHrP[1-36] 24,28,31 XCP, Parathyroid hormone/parathyroid hormone-related peptide receptor, ... | | Authors: | Yu, Z, Bruchs, A.T, Bingman, C.A, Gellman, S.H. | | Deposit date: | 2022-05-09 | | Release date: | 2022-10-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Altered signaling at the PTH receptor via modified agonist contacts with the extracellular domain provides a path to prolonged agonism in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
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4G2L
 | | Human PDE9 in complex with selective compound | | Descriptor: | 1-cyclopentyl-6-{(1R)-1-[3-(pyrimidin-2-yl)azetidin-1-yl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | Authors: | Liu, S. | | Deposit date: | 2012-07-12 | | Release date: | 2013-05-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors.
J.Med.Chem., 55, 2012
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4G2J
 | | Human pde9 in complex with selective compound | | Descriptor: | 1-cyclopentyl-6-[(1R)-1-(3-phenoxyazetidin-1-yl)ethyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | Authors: | Liu, S. | | Deposit date: | 2012-07-12 | | Release date: | 2013-05-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors.
J.Med.Chem., 55, 2012
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5Y6D
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5Y6E
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8IVQ
 | | Cryo-EM structure of mouse BIRC6, Global map | | Descriptor: | Isoform 2 of Baculoviral IAP repeat-containing protein 6 | | Authors: | Liu, S, Jiang, T, Bu, F, Zhao, J, Wang, G, Li, N, Gao, N, Qiu, X. | | Deposit date: | 2023-03-28 | | Release date: | 2024-01-24 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Molecular mechanisms underlying the BIRC6-mediated regulation of apoptosis and autophagy.
Nat Commun, 15, 2024
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7WT9
 | | SARS-CoV-2 Omicron variant spike RBD in complex with Fab 9A8 | | Descriptor: | Heavy chain of Fab 9A8, Light chain of Fab 9A8, Spike glycoprotein | | Authors: | Wang, X, Wang, L. | | Deposit date: | 2022-02-04 | | Release date: | 2023-06-07 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | A broader neutralizing antibody against all the current VOCs and VOIs targets unique epitope of SARS-CoV-2 RBD.
Cell Discov, 8, 2022
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7WT7
 | | SARS-CoV-2 Omicron variant spike in complex with Fab 9A8 (State 1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 9A8, ... | | Authors: | Wang, X, Wang, L. | | Deposit date: | 2022-02-04 | | Release date: | 2023-06-07 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | A broader neutralizing antibody against all the current VOCs and VOIs targets unique epitope of SARS-CoV-2 RBD.
Cell Discov, 8, 2022
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7WT8
 | | SARS-CoV-2 Omicron variant spike in complex with Fab 9A8 (State 2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 9A8, ... | | Authors: | Wang, X, Wang, L. | | Deposit date: | 2022-02-04 | | Release date: | 2023-06-07 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | A broader neutralizing antibody against all the current VOCs and VOIs targets unique epitope of SARS-CoV-2 RBD.
Cell Discov, 8, 2022
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6X3N
 | | Co-structure of BTK kinase domain with L-005085737 inhibitor | | Descriptor: | 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK | | Authors: | Fischmann, T.O. | | Deposit date: | 2020-05-21 | | Release date: | 2020-07-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
Bioorg.Med.Chem.Lett., 30, 2020
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6X3O
 | | Co-structure of BTK kinase domain with L-005191930 inhibitor | | Descriptor: | 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxo-3,5,6,7,8,8a-hexahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK | | Authors: | Fischmann, T.O. | | Deposit date: | 2020-05-21 | | Release date: | 2020-07-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
Bioorg.Med.Chem.Lett., 30, 2020
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2LWF
 | | Structure of N-terminal domain of a plant Grx | | Descriptor: | Monothiol glutaredoxin-S16, chloroplastic | | Authors: | Feng, Y. | | Deposit date: | 2012-07-28 | | Release date: | 2013-05-22 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural insights into the N-terminal GIY-YIG endonuclease activity of Arabidopsis glutaredoxin AtGRXS16 in chloroplasts.
Proc.Natl.Acad.Sci.USA, 110, 2013
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6WQ1
 | | Eukaryotic LanCL2 protein | | Descriptor: | LanC-like protein 2, ZINC ION | | Authors: | Nair, S.K, Garg, N. | | Deposit date: | 2020-04-28 | | Release date: | 2021-05-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.295 Å) | | Cite: | LanCLs add glutathione to dehydroamino acids generated at phosphorylated sites in the proteome.
Cell, 184, 2021
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8XUR
 | | BA.2.86 Spike Trimer in complex with heparan sulfate | | Descriptor: | 2-O-sulfo-beta-L-altropyranuronic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yue, C, Liu, P. | | Deposit date: | 2024-01-14 | | Release date: | 2024-07-03 | | Last modified: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (3.85 Å) | | Cite: | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity.
Natl Sci Rev, 11, 2024
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8XUT
 | | XBB.1.5 Spike Trimer in complex with heparan sulfate | | Descriptor: | 2-O-sulfo-beta-L-altropyranuronic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Yue, C, Liu, P, Mao, X. | | Deposit date: | 2024-01-14 | | Release date: | 2024-07-03 | | Last modified: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity.
Natl Sci Rev, 11, 2024
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8XUU
 | | BA.2.86-T356K Spike Trimer in complex with heparan sulfate (Local refinement) | | Descriptor: | 2-O-sulfo-beta-L-altropyranuronic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Yue, C, Liu, P. | | Deposit date: | 2024-01-14 | | Release date: | 2024-07-03 | | Last modified: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (3.69 Å) | | Cite: | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity.
Natl Sci Rev, 11, 2024
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8XUS
 | | JN.1 Spike Trimer in complex with heparan sulfate | | Descriptor: | 2-O-sulfo-beta-L-altropyranuronic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Yue, C, Liu, P. | | Deposit date: | 2024-01-14 | | Release date: | 2024-07-03 | | Last modified: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (3.18 Å) | | Cite: | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity.
Natl Sci Rev, 11, 2024
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8T9F
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8THU
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4WIV
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a novel inhibitor UMB32 (N-TERT-BUTYL-2-[4-(3,5-DIMETHYL-1,2-OXAZOL-4-YL) PHENYL]IMIDAZO[1,2-A]PYRAZIN-3-AMINE) | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ... | | Authors: | Xu, X, Blacklow, S. | | Deposit date: | 2014-09-26 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Biased multicomponent reactions to develop novel bromodomain inhibitors.
J.Med.Chem., 57, 2014
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8XQP
 | | Structure of human class T GPCR TAS2R14-Gustducin complex with Aristolochic acid A. | | Descriptor: | 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid, CHOLESTEROL, Exo-alpha-sialidase,Taste receptor type 2 member 14,LgBiT, ... | | Authors: | Hu, X.L, Wu, L.J, Hua, T, Liu, Z.J. | | Deposit date: | 2024-01-05 | | Release date: | 2024-07-10 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 631, 2024
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8XQS
 | | Structure of human class T GPCR TAS2R14-DNGi complex with Flufenamic acid. | | Descriptor: | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID, CHOLESTEROL, Exo-alpha-sialidase,Taste receptor type 2 member 14,LgBiT, ... | | Authors: | Hu, X.L, Wu, L.J, Hua, T, Liu, Z.J. | | Deposit date: | 2024-01-05 | | Release date: | 2024-07-10 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 631, 2024
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8XQN
 | | Structure of human class T GPCR TAS2R14-DNGi complex with Aristolochic acid A. | | Descriptor: | 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid, CHOLESTEROL, Exo-alpha-sialidase,Taste receptor type 2 member 14,LgBiT, ... | | Authors: | Hu, X.L, Wu, L.J, Hua, T, Liu, Z.J. | | Deposit date: | 2024-01-05 | | Release date: | 2024-07-10 | | Last modified: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 631, 2024
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8XQL
 | | Structure of human class T GPCR TAS2R14-miniGs/gust complex with Aristolochic acid A. | | Descriptor: | 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid, CHOLESTEROL, Exo-alpha-sialidase,Taste receptor type 2 member 14,LgBiT, ... | | Authors: | Hu, X.L, Wu, L.J, Hua, T, Liu, Z.J. | | Deposit date: | 2024-01-05 | | Release date: | 2024-07-10 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.99 Å) | | Cite: | Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 631, 2024
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