4WAU
 
 | | Crystal structure of CENP-M solved by native-SAD phasing | | Descriptor: | Centromere protein M | | Authors: | Weinert, T, Basilico, F, Cecatiello, V, Pasqualato, S, Wang, M. | | Deposit date: | 2014-09-01 | | Release date: | 2014-12-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
|
|
6KWX
 | | cryo-EM structure of human PA200 | | Descriptor: | INOSITOL HEXAKISPHOSPHATE, Proteasome activator complex subunit 4, [(1~{S},2~{R},3~{R},4~{S},5~{S},6~{R})-2-[oxidanyl(phosphonooxy)phosphoryl]oxy-3,4,5,6-tetraphosphonooxy-cyclohexyl] phosphono hydrogen phosphate | | Authors: | Ouyang, S, Hongxin, G. | | Deposit date: | 2019-09-09 | | Release date: | 2020-04-01 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.75 Å) | | Cite: | Cryo-EM structures of the human PA200 and PA200-20S complex reveal regulation of proteasome gate opening and two PA200 apertures.
Plos Biol., 18, 2020
|
|
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
|
|
6L4S
 | |
4WBQ
 | | Crystal structure of the exonuclease domain of QIP (QDE-2 interacting protein) solved by native-SAD phasing. | | Descriptor: | CALCIUM ION, QDE-2-interacting protein | | Authors: | Boland, A, Weinert, T, Weichenrieder, O, Wang, M. | | Deposit date: | 2014-09-03 | | Release date: | 2014-12-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.693 Å) | | Cite: | Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
|
|
6RJ3
 | | Crystal structure of PHGDH in complex with compound 15 | | Descriptor: | 4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid, D-3-phosphoglycerate dehydrogenase, SULFATE ION | | Authors: | Bader, G, Wolkerstorfer, B, Zoephel, A. | | Deposit date: | 2019-04-26 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
|
|
6RJ6
 | | Crystal structure of PHGDH in complex with BI-4924 | | Descriptor: | 2-[4-[(1~{S})-1-[[4,5-bis(chloranyl)-1,6-dimethyl-indol-2-yl]carbonylamino]-2-oxidanyl-ethyl]phenyl]sulfonylethanoic acid, D-3-phosphoglycerate dehydrogenase | | Authors: | Bader, G, Wolkerstorfer, B, Zoephel, A. | | Deposit date: | 2019-04-26 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.984 Å) | | Cite: | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
|
|
6RJ5
 | | Crystal structure of PHGDH in complex with compound 39 | | Descriptor: | 2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide, D-3-phosphoglycerate dehydrogenase, SULFATE ION | | Authors: | Bader, G, Wolkerstorfer, B, Zoephel, A. | | Deposit date: | 2019-04-26 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
|
|
6RIH
 | | Crystal structure of PHGDH in complex with compound 9 | | Descriptor: | D-3-phosphoglycerate dehydrogenase, SULFATE ION, ~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide | | Authors: | Bader, G, Wolkerstorfer, B, Zoephel, A. | | Deposit date: | 2019-04-24 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
|
|
6RJ2
 | | Crystal structure of PHGDH in complex with compound 40 | | Descriptor: | D-3-phosphoglycerate dehydrogenase, SULFATE ION, ~{N}-[(1~{R})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide | | Authors: | Bader, G, Wolkerstorfer, B, Zoephel, A. | | Deposit date: | 2019-04-26 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
|
|
6L1U
 | | Cryo-EM structure of phosphorylated Tyr39 alpha-synuclein amyloid fibril | | Descriptor: | Alpha-synuclein | | Authors: | Liu, C, Li, Y.M, Zhao, K, Lim, Y.J, Liu, Z.Y. | | Deposit date: | 2019-09-30 | | Release date: | 2020-08-12 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | Parkinson's disease-related phosphorylation at Tyr39 rearranges alpha-synuclein amyloid fibril structure revealed by cryo-EM.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6WMW
 | | GFRAL receptor bound with two antibody Fabs (3P10, 25M22) | | Descriptor: | FAB25M22 heavy chain fragment, FAB25M22 light chain, FAB3P10 heavy chain fragment, ... | | Authors: | White, A, Lakshminarasimhan, D, Olland, A, Suto, R.K. | | Deposit date: | 2020-04-21 | | Release date: | 2020-07-15 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Antibody-mediated inhibition of GDF15-GFRAL activity reverses cancer cachexia in mice.
Nat Med, 26, 2020
|
|
6LNQ
 | | The co-crystal structure of SARS-CoV 3C Like Protease with aldehyde inhibitor M7 | | Descriptor: | N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-1H-indole-2-carboxamide, Severe Acute Respiratory Syndrome Coronavirus 3c Like Protease | | Authors: | Wang, H, Shang, L.Q. | | Deposit date: | 2020-01-01 | | Release date: | 2020-05-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.244 Å) | | Cite: | Comprehensive Insights into the Catalytic Mechanism of Middle East Respiratory Syndrome 3C-Like Protease and Severe Acute Respiratory Syndrome 3C-Like Protease.
Acs Catalysis, 10, 2020
|
|
6LO0
 | |
7FGD
 | | A naturally-occurring neuraminidase-inhibitors-resistant NA from asiatic toad influenza B-like virus | | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, toad NA (OSE) | | Authors: | Chai, Y, Wu, Y, Gao, F. | | Deposit date: | 2021-07-26 | | Release date: | 2022-08-03 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and inhibitor sensitivity analysis of influenza B-like viral neuraminidases derived from Asiatic toad and spiny eel.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7FGC
 | |
7FGB
 | | A naturally-occurring neuraminidase-inhibitors-resistant NA from asiatic toad influenza B-like virus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, SULFATE ION, ... | | Authors: | Chai, Y, Wu, Y, Gao, F. | | Deposit date: | 2021-07-26 | | Release date: | 2022-08-03 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and inhibitor sensitivity analysis of influenza B-like viral neuraminidases derived from Asiatic toad and spiny eel.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7FGE
 | |
7Q1K
 | | Crystal structure of the native AA9A LPMO from Thermoascus aurantiacus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, GLYCEROL, ... | | Authors: | Yu, W, Mohsin, I, Li, D.C, Papageorgiou, A.C. | | Deposit date: | 2021-10-20 | | Release date: | 2022-08-31 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Purification and Structural Characterization of the Auxiliary Activity 9 Native Lytic Polysaccharide Monooxygenase from Thermoascus aurantiacus and Identification of Its C1- and C4-Oxidized Reaction Products
Catalysts, 12, 2022
|
|
9KAP
 | | Cryo-EM structure of glycopeptide fibril | | Descriptor: | TYR-TYR-CYS-TYR-TYR, beta-D-glucopyranuronic acid | | Authors: | Xia, W.C, Liu, C. | | Deposit date: | 2024-10-29 | | Release date: | 2025-06-11 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Design and Structural Elucidation of Glycopeptide Fibrils: Emulating Glycosaminoglycan Functions for Biomedical Applications.
J.Am.Chem.Soc., 147, 2025
|
|
7EQ2
 | | Crystal structure of GDP-bound Rab1a-T75D | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, COBALT HEXAMMINE(III), ... | | Authors: | Cao, Y.L, Gu, D.D, Gao, S. | | Deposit date: | 2021-04-28 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.55090284 Å) | | Cite: | Aurora kinase A-mediated phosphorylation triggers structural alteration of Rab1A to enhance ER complexity during mitosis
Nat.Struct.Mol.Biol., 2024
|
|
7T9U
 | | Crystal structure of hSTING with an agonist (SHR169224) | | Descriptor: | (3S,4S)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4-(prop-2-en-1-yl)-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide, CALCIUM ION, Stimulator of interferon genes protein | | Authors: | Chowdhury, R, Miller, M. | | Deposit date: | 2021-12-20 | | Release date: | 2022-12-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis.
Sci Rep, 12, 2022
|
|
7T9V
 | | Crystal structure of hSTING with the agonist, SHR171032 | | Descriptor: | (3S,4S)-4-(3-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazol-1-yl}propyl)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide, CALCIUM ION, Stimulator of interferon genes protein | | Authors: | Chowdhury, R, Miller, M. | | Deposit date: | 2021-12-20 | | Release date: | 2022-12-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis.
Sci Rep, 12, 2022
|
|
6CWA
 | |
4NWK
 | | Crystal structure of hepatis c virus protease (ns3) complexed with bms-605339 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-n-((1r,2s)-1-((cyclopropylsulfonyl)carba moyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)ox y)-l-prolinamide | | Descriptor: | GLYCEROL, HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-L-prolinamide, ... | | Authors: | Muckelbauer, J.K, Klei, H.E. | | Deposit date: | 2013-12-06 | | Release date: | 2014-03-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
|
|
