4I0R
 
 | | Crystal structure of spleen tyrosine kinase complexed with 2-(3,4,5-Trimethoxy-phenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide | | Descriptor: | N-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase SYK | | Authors: | Kuglstatter, A, Villasenor, A.G. | | Deposit date: | 2012-11-19 | | Release date: | 2013-10-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013
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4I0T
 | | Crystal structure of spleen tyrosine kinase complexed with 2-(5,6,7,8-Tetrahydro-imidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid tert-butylamide | | Descriptor: | N-tert-butyl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase SYK | | Authors: | Kuglstatter, A, Slade, M. | | Deposit date: | 2012-11-19 | | Release date: | 2013-10-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013
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8HTR
 | | Crystal structure of Bcl2 in complex with S-9c | | Descriptor: | 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | | Authors: | Liu, J, Xu, M, Feng, Y, Liu, Y. | | Deposit date: | 2022-12-21 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
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8HTS
 | | Crystal structure of Bcl2 in complex with S-10r | | Descriptor: | 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | | Authors: | Liu, J, Xu, M, Feng, Y, Liu, Y. | | Deposit date: | 2022-12-21 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
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8G05
 | | Cryo-EM structure of an orphan GPCR-Gi protein signaling complex | | Descriptor: | 6-(octylamino)pyrimidine-2,4(3H,5H)-dione, CHOLESTEROL, G-protein coupled receptor 84, ... | | Authors: | Zhang, X, Wang, Y.J, Li, X, Liu, G.B, Gong, W.M, Zhang, C. | | Deposit date: | 2023-01-31 | | Release date: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Pro-phagocytic function and structural basis of GPR84 signaling.
Nat Commun, 14, 2023
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2EU1
 | | Crystal structure of the chaperonin GroEL-E461K | | Descriptor: | GROEL | | Authors: | Cabo-Bilbao, A, Spinelli, S, Sot, B, Agirre, J, Mechaly, A.E, Muga, A, Guerin, D.M.A. | | Deposit date: | 2005-10-28 | | Release date: | 2006-08-29 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.29 Å) | | Cite: | Crystal structure of the temperature-sensitive and allosteric-defective chaperonin GroEL(E461K).
J.Struct.Biol., 155, 2006
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8W31
 | | Crystal structure of parkin (R0RB):2pUb with activator compound | | Descriptor: | (S)-1-(6-benzyl-3-(4-(1,2,3,4-tetrahydroquinoline-1-carbonyl)phenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl)ethan-1-one, E3 ubiquitin-protein ligase parkin, GLYCEROL, ... | | Authors: | Sauve, V, Gehring, K. | | Deposit date: | 2024-02-21 | | Release date: | 2024-08-21 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Activation of parkin by a molecular glue.
Nat Commun, 15, 2024
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8I2N
 | | The RIPK1 kinase domain in complex with QY7-2B compound | | Descriptor: | Receptor-interacting serine/threonine-protein kinase 1, ~{N}-methyl-1-[4-[[[1-methyl-5-(phenylmethyl)pyrazol-3-yl]carbonylamino]methyl]phenyl]benzimidazole-5-carboxamide | | Authors: | Gong, X.Y, Li, Y, Meng, H.Y, Pan, L.F. | | Deposit date: | 2023-01-14 | | Release date: | 2024-01-31 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Structure-based development of potent and selective type-II kinase inhibitors of RIPK1.
Acta Pharm Sin B, 14, 2024
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6AAW
 | | Mdm2 in complex with a D amino Acid Containing Stapled Peptide | | Descriptor: | ACE-LEU-THR-PHE-STQ-GLU-TYR-DTR-GLN-LEU-CBA-MK8-SER-ALA-ALA, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Brown, C.J, Partridge, A.W. | | Deposit date: | 2018-07-19 | | Release date: | 2019-07-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Model System to Explore Macrocyclic Peptide Structural and Chirality Relationships: Tolerance of helix-breaking residues within the context of a stapled peptide.
To Be Published
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7X6L
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7X6O
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7Y09
 | | Cryo-EM structure of human IgM-Fc in complex with the J chain and the DBL domain of DBLMSP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin J chain, ... | | Authors: | Shen, H, Ji, C, Xiao, J. | | Deposit date: | 2022-06-03 | | Release date: | 2023-03-29 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.71 Å) | | Cite: | Plasmodium falciparum has evolved multiple mechanisms to hijack human immunoglobulin M.
Nat Commun, 14, 2023
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7YG2
 | | Cryo-EM structure of human IgM-Fc in complex with the J chain and the DBL domain of DBLMSP2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DBLMSP2, ... | | Authors: | Shen, H, Ji, C, Xiao, J. | | Deposit date: | 2022-07-09 | | Release date: | 2023-03-29 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.32 Å) | | Cite: | Plasmodium falciparum has evolved multiple mechanisms to hijack human immunoglobulin M.
Nat Commun, 14, 2023
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7Y0H
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7Y0J
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7Y4H
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1HT3
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7E3O
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6IIV
 | | Crystal structure of the human thromboxane A2 receptor bound to daltroban | | Descriptor: | 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]ethanoic acid, CHOLESTEROL, GLYCEROL, ... | | Authors: | Fan, H, Zhao, Q, Wu, B. | | Deposit date: | 2018-10-07 | | Release date: | 2018-12-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis for ligand recognition of the human thromboxane A2receptor.
Nat. Chem. Biol., 15, 2019
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6KTC
 | | Crystal structure of YBX1 CSD with m5C RNA | | Descriptor: | Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*GP*(5MC)P*CP*U)-3') | | Authors: | Zou, F, Li, S. | | Deposit date: | 2019-08-27 | | Release date: | 2020-02-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.008 Å) | | Cite: | DrosophilaYBX1 homolog YPS promotes ovarian germ line stem cell development by preferentially recognizing 5-methylcytosine RNAs.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7X2D
 | | Cryo-EM structure of the tavapadon-bound D1 dopamine receptor and mini-Gs complex | | Descriptor: | 1,5-dimethyl-6-[2-methyl-4-[3-(trifluoromethyl)pyridin-2-yl]oxy-phenyl]pyrimidine-2,4-dione, CHOLESTEROL, D(1A) dopamine receptor, ... | | Authors: | Teng, X, Zheng, S. | | Deposit date: | 2022-02-25 | | Release date: | 2022-06-15 | | Last modified: | 2022-10-12 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Ligand recognition and biased agonism of the D1 dopamine receptor.
Nat Commun, 13, 2022
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7X2F
 | | Cryo-EM structure of the dopamine and LY3154207-bound D1 dopamine receptor and mini-Gs complex | | Descriptor: | 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, D(1A) dopamine receptor, ... | | Authors: | Teng, X, Zheng, S. | | Deposit date: | 2022-02-25 | | Release date: | 2022-06-15 | | Last modified: | 2022-06-22 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Ligand recognition and biased agonism of the D1 dopamine receptor.
Nat Commun, 13, 2022
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7X2C
 | | Cryo-EM structure of the fenoldopam-bound D1 dopamine receptor and mini-Gs complex | | Descriptor: | (1R)-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, CHOLESTEROL, D(1A) dopamine receptor, ... | | Authors: | Teng, X, Zheng, S. | | Deposit date: | 2022-02-25 | | Release date: | 2022-06-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Ligand recognition and biased agonism of the D1 dopamine receptor.
Nat Commun, 13, 2022
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6IIU
 | | Crystal structure of the human thromboxane A2 receptor bound to ramatroban | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid, CHOLESTEROL, ... | | Authors: | Fan, H, Zhao, Q, Wu, B. | | Deposit date: | 2018-10-07 | | Release date: | 2018-12-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for ligand recognition of the human thromboxane A2receptor.
Nat. Chem. Biol., 15, 2019
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6KUG
 | | Crystal structure of YBX1 CSD with RNA | | Descriptor: | Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*GP*CP*CP*U)-3') | | Authors: | Zou, F, Li, S. | | Deposit date: | 2019-09-02 | | Release date: | 2020-02-05 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | DrosophilaYBX1 homolog YPS promotes ovarian germ line stem cell development by preferentially recognizing 5-methylcytosine RNAs.
Proc.Natl.Acad.Sci.USA, 117, 2020
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