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
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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
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7U9Y
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1HBV
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1TCX
| HIV TRIPLE MUTANT PROTEASE COMPLEXED WITH INHIBITOR SB203386 | Descriptor: | (2R,4S,5S,1'S)-2-PHENYLMETHYL-4-HYDROXY-5-(TERT-BUTOXYCARBONYL)AMINO-6-PHENYL HEXANOYL-N-(1'-IMIDAZO-2-YL)-2'-METHYLPROPANAMIDE, HIV PROTEASE | Authors: | Hoog, S.S, Abdel-Meguid, S.S. | Deposit date: | 1996-06-05 | Release date: | 1996-12-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Human immunodeficiency virus protease ligand specificity conferred by residues outside of the active site cavity. Biochemistry, 35, 1996
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1TCW
| SIV PROTEASE COMPLEXED WITH INHIBITOR SB203386 | Descriptor: | (2R,4S,5S,1'S)-2-PHENYLMETHYL-4-HYDROXY-5-(TERT-BUTOXYCARBONYL)AMINO-6-PHENYL HEXANOYL-N-(1'-IMIDAZO-2-YL)-2'-METHYLPROPANAMIDE, SIV PROTEASE | Authors: | Hoog, S.S, Abdel-Meguid, S.S. | Deposit date: | 1996-06-05 | Release date: | 1996-12-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Human immunodeficiency virus protease ligand specificity conferred by residues outside of the active site cavity. Biochemistry, 35, 1996
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4E99
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8H77
| Hsp90-AhR-p23-XAP2 complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, AH receptor-interacting protein, Aryl hydrocarbon receptor, ... | Authors: | Wen, Z.L, Zhai, Y.J, Zhu, Y, Sun, F. | Deposit date: | 2022-10-19 | Release date: | 2023-01-04 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structure of the cytosolic AhR complex. Structure, 31, 2023
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8K14
| X-ray crystal structure of 18a in BRD4(1) | Descriptor: | 4-[8-methoxy-2-methyl-1-(1-phenylethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole, Bromodomain-containing protein 4 | Authors: | Xu, H, Shen, H, Zhang, Y, Xu, Y, Li, R. | Deposit date: | 2023-07-10 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Discovery of (R)-4-(8-methoxy-2-methyl-1-(1-phenylethy)-1H-imidazo[4,5-c]quinnolin-7-yl)-3,5-dimethylisoxazole as a potent and selective BET inhibitor for treatment of acute myeloid leukemia (AML) guided by FEP calculation. Eur.J.Med.Chem., 263, 2024
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3NBX
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3Q16
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3N75
| X-ray Crystal Structure of the Escherichia coli Inducible Lysine Decarboxylase LdcI | Descriptor: | GLYCEROL, GUANOSINE-5',3'-TETRAPHOSPHATE, HEXAETHYLENE GLYCOL, ... | Authors: | Kanjee, U, Alexopoulos, E, Pai, E.F, Houry, W.A. | Deposit date: | 2010-05-26 | Release date: | 2011-02-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Linkage between the bacterial acid stress and stringent responses: the structure of the inducible lysine decarboxylase. Embo J., 30, 2011
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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
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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
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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
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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
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7Y04
| Hsp90-AhR-p23 complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Aryl hydrocarbon receptor, BERYLLIUM TRIFLUORIDE ION, ... | Authors: | Wen, Z.L, Zhai, Y.J, Zhu, Y, Sun, F. | Deposit date: | 2022-06-03 | Release date: | 2023-01-04 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM structure of the cytosolic AhR complex. Structure, 31, 2023
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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
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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
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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
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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
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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
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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
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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
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8HPB
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