8V8V
 
 | | PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 7). | | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, 2-[[(1~{R})-1-(7-methyl-4-oxidanylidene-2-piperidin-1-yl-3~{H}-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | Authors: | Gunn, R.J, Lawson, J.D. | | Deposit date: | 2023-12-06 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024
|
|
8V8I
 | | PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket (compound 5). | | Descriptor: | (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide, CHLORIDE ION, N-{(3S)-3-(2-methylphenyl)-6-[(oxetan-3-yl)amino]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-1-benzothiophene-3-carboxamide, ... | | Authors: | Gunn, R.J, Lawson, J.D. | | Deposit date: | 2023-12-05 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024
|
|
8V8U
 | | PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 12). | | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, (3S)-9-[(1R)-1-(2-carboxyanilino)ethyl]-3-cyano-7-methyl-4-oxo-2-(piperidin-1-yl)-3,4-dihydropyrido[1,2-a]pyrimidin-5-ium, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | Authors: | Gunn, R.J, Lawson, J.D. | | Deposit date: | 2023-12-06 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024
|
|
3Q16
 | |
6MCW
 | | Crystal structure of the P450 domain of the CYP51-ferredoxin fusion protein from Methylococcus capsulatus, complex with the detergent Anapoe-X-114 | | Descriptor: | 23-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-3,6,9,12,15,18,21-heptaoxatricosan-1-ol, Cytochrome P450 51, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Hargrove, T, Wawrzak, Z, Lamb, D.C, Lepesheva, G.I. | | Deposit date: | 2018-09-02 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Concerning P450 evolution: Structural Analyses Support Bacterial Origin of Sterol 14 alpha-Demethylases.
Mol.Biol.Evol., 2020
|
|
6MI0
 | | Crystal structure of the P450 domain of the CYP51-ferredoxin fusion protein from Methylococcus capsulatus, ligand-free state | | Descriptor: | Cytochrome P450 51, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Hargrove, T, Wawrzak, Z, Lamb, D.C, Lepesheva, G.I. | | Deposit date: | 2018-09-18 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Concerning P450 evolution: Structural Analyses Support Bacterial Origin of Sterol 14 alpha-Demethylases.
Mol.Biol.Evol., 2020
|
|
4E99
 | |
4JZR
 | | Structure of Prolyl Hydroxylase Domain-containing Protein (PHD) with Inhibitors | | Descriptor: | 1,2-ETHANEDIOL, 2-(biphenyl-4-yl)-8-[(1-methyl-1H-imidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one, Egl nine homolog 1, ... | | Authors: | Ma, Y, Yang, L. | | Deposit date: | 2013-04-03 | | Release date: | 2013-10-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Novel complex crystal structure of prolyl hydroxylase domain-containing protein 2 (PHD2): 2,8-Diazaspiro[4.5]decan-1-ones as potent, orally bioavailable PHD2 inhibitors
Bioorg.Med.Chem., 21, 2013
|
|
8HPB
 | |
8HQB
 | | NMR Structure of OsCIE1-Ubox | | Descriptor: | U-box domain-containing protein 12 | | Authors: | Zhang, Y, Yu, C.Z, Lan, W.X. | | Deposit date: | 2022-12-13 | | Release date: | 2023-12-20 | | Last modified: | 2024-06-12 | | Method: | SOLUTION NMR | | Cite: | Release of a ubiquitin brake activates OsCERK1-triggered immunity in rice.
Nature, 629, 2024
|
|
4K7F
 | | Newly identified epitope V60 from HBV core protein complexed with HLA-A*0201 | | Descriptor: | Beta-2-microglobulin, Core protein, HLA class I histocompatibility antigen, ... | | Authors: | Meng, S.D, Zhang, Y, Wu, Y, Qi, J.X. | | Deposit date: | 2013-04-17 | | Release date: | 2013-06-05 | | Last modified: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The L60V variation in hepatitis B virus core protein elicits new epitope-specific cytotoxic T lymphocytes and enhances viral replication.
J.Virol., 87, 2013
|
|
7XED
 | | Crystal Structure of OsCIE1-Ubox and OsUBC8 complex | | Descriptor: | U-box domain-containing protein 12, UBC core domain-containing protein | | Authors: | Zhang, Y, Yu, C.Z. | | Deposit date: | 2022-03-30 | | Release date: | 2023-10-04 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Release of a ubiquitin brake activates OsCERK1-triggered immunity in rice.
Nature, 629, 2024
|
|
7Y1T
 | | Complex of integrin alphaV/beta8 and L-TGF-beta1 at a ratio of 1:2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Duan, Z, Zhang, Z. | | Deposit date: | 2022-06-08 | | Release date: | 2022-08-31 | | Last modified: | 2022-09-07 | | Method: | ELECTRON MICROSCOPY (3.24 Å) | | Cite: | Specificity of TGF-beta 1 signal designated by LRRC33 and integrin alpha V beta 8.
Nat Commun, 13, 2022
|
|
7Y1R
 | | Human L-TGF-beta1 in complex with the anchor protein LRRC33 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Duan, Z, Zhang, Z. | | Deposit date: | 2022-06-08 | | Release date: | 2022-08-31 | | Last modified: | 2022-09-07 | | Method: | ELECTRON MICROSCOPY (4.01 Å) | | Cite: | Specificity of TGF-beta 1 signal designated by LRRC33 and integrin alpha V beta 8.
Nat Commun, 13, 2022
|
|
8VLY
 | | Cryo-EM structure of human HGSNAT in transition state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heparan-alpha-glucosaminide N-acetyltransferase | | Authors: | Li, F, Zhao, B. | | Deposit date: | 2024-01-12 | | Release date: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.61 Å) | | Cite: | Structural and mechanistic insights into a lysosomal membrane enzyme HGSNAT involved in Sanfilippo syndrome
To Be Published
|
|
8VKJ
 | | Cryo-EM structure of human HGSNAT bound with Acetyl-CoA | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYL COENZYME *A, ... | | Authors: | Li, F, Zhao, B. | | Deposit date: | 2024-01-09 | | Release date: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.92 Å) | | Cite: | Structural and mechanistic insights into a lysosomal membrane enzyme HGSNAT involved in Sanfilippo syndrome
To Be Published
|
|
8VLI
 | | Cryo-EM structure of human HGSNAT bound with CoA and product analog | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-acetamido-2-deoxy-beta-D-glucopyranoside, ... | | Authors: | Li, F, Zhao, B. | | Deposit date: | 2024-01-11 | | Release date: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural and mechanistic insights into a lysosomal membrane enzyme HGSNAT involved in Sanfilippo syndrome
To Be Published
|
|
8VLG
 | | Cryo-EM structure of human HGSNAT bound with Acetyl-CoA and substrate analog | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-amino-2-deoxy-beta-D-glucopyranoside, ... | | Authors: | Li, F, Zhao, B. | | Deposit date: | 2024-01-11 | | Release date: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | Structural and mechanistic insights into a lysosomal membrane enzyme HGSNAT involved in Sanfilippo syndrome
To Be Published
|
|
8VLU
 | | Cryo-EM structure of human HGSNAT bound with CoA | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COENZYME A, Heparan-alpha-glucosaminide N-acetyltransferase | | Authors: | Li, F, Zhao, B. | | Deposit date: | 2024-01-12 | | Release date: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Structural and mechanistic insights into a lysosomal membrane enzyme HGSNAT involved in Sanfilippo syndrome
To Be Published
|
|
3L15
 | | Human Tead2 transcriptional factor | | Descriptor: | GLYCEROL, Transcriptional enhancer factor TEF-4 | | Authors: | Tomchick, D.R, Luo, X, Tian, W. | | Deposit date: | 2009-12-10 | | Release date: | 2010-04-07 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and functional analysis of the YAP-binding domain of human TEAD2.
Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
1SNB
 | | STRUCTURE OF SCORPION NEUROTOXIN BMK M8 | | Descriptor: | NEUROTOXIN BMK M8 | | Authors: | Wang, D.C, Zeng, Z.H, Li, H.M. | | Deposit date: | 1997-03-12 | | Release date: | 1997-05-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of an acidic neurotoxin from scorpion Buthus martensii Karsch at 1.85 A resolution.
J.Mol.Biol., 261, 1996
|
|
1SN4
 | | STRUCTURE OF SCORPION NEUROTOXIN BMK M4 | | Descriptor: | ACETATE ION, PROTEIN (NEUROTOXIN BMK M4) | | Authors: | He, X.L, Li, H.M, Liu, X.Q, Zeng, Z.H, Wang, D.C. | | Deposit date: | 1998-11-11 | | Release date: | 1999-11-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structures of two alpha-like scorpion toxins: non-proline cis peptide bonds and implications for new binding site selectivity on the sodium channel.
J.Mol.Biol., 292, 1999
|
|
1SN1
 | | STRUCTURE OF SCORPION NEUROTOXIN BMK M1 | | Descriptor: | PROTEIN (NEUROTOXIN BMK M1) | | Authors: | He, X.L, Li, H.M, Liu, X.Q, Zeng, Z.H, Wang, D.C. | | Deposit date: | 1998-11-12 | | Release date: | 1999-11-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of two alpha-like scorpion toxins: non-proline cis peptide bonds and implications for new binding site selectivity on the sodium channel.
J.Mol.Biol., 292, 1999
|
|
7UKS
 | | Crystal structure of SOS1 with phthalazine inhibitor bound (compound 15) | | Descriptor: | 4-methyl-N-{(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}-7-(piperazin-1-yl)phthalazin-1-amine, Son of sevenless homolog 1 | | Authors: | Gunn, R.J, Lawson, J.D, Ketcham, J.M, Marx, M.A. | | Deposit date: | 2022-04-01 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Design and Discovery of MRTX0902, a Potent, Selective, Brain-Penetrant, and Orally Bioavailable Inhibitor of the SOS1:KRAS Protein-Protein Interaction.
J.Med.Chem., 65, 2022
|
|
7UKR
 | | Crystal Structure of SOS1 with MRTX0902, a Potent and Selective Inhibitor of the SOS1:KRAS Protein-Protein Interaction | | Descriptor: | 2-methyl-3-[(1R)-1-{[4-methyl-7-(morpholin-4-yl)pyrido[3,4-d]pyridazin-1-yl]amino}ethyl]benzonitrile, Son of sevenless homolog 1 | | Authors: | Gunn, R.J, Lawson, J.D, Ketcham, J.M, Marx, M.A. | | Deposit date: | 2022-04-01 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Design and Discovery of MRTX0902, a Potent, Selective, Brain-Penetrant, and Orally Bioavailable Inhibitor of the SOS1:KRAS Protein-Protein Interaction.
J.Med.Chem., 65, 2022
|
|
