8Y33
| A near-infrared fluorescent protein of de novo backbone design | Descriptor: | 3-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, near-infrared fluorescent protein | Authors: | Hu, X, Xu, Y. | Deposit date: | 2024-01-28 | Release date: | 2024-02-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Using Protein Design and Directed Evolution to Monomerize a Bright Near-Infrared Fluorescent Protein. Acs Synth Biol, 13, 2024
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6C7R
| BRD4 BD1 in complex with compound CF53 | Descriptor: | Bromodomain-containing protein 4, N-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2018-01-23 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor. J. Med. Chem., 61, 2018
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3DPC
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5UOO
| BRD4 bromodomain 2 in complex with CD161 | Descriptor: | 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido[4,5-b]indole, Bromodomain-containing protein 4 | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2017-02-01 | Release date: | 2017-05-17 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structure-Based Discovery of 4-(6-Methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethylisoxazole (CD161) as a Potent and Orally Bioavailable BET Bromodomain Inhibitor. J. Med. Chem., 60, 2017
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4MNG
| Structure of the DP10.7 TCR with CD1d-sulfatide | Descriptor: | (15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ... | Authors: | Luoma, A.M, Adams, E.J. | Deposit date: | 2013-09-10 | Release date: | 2013-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.0058 Å) | Cite: | Crystal Structure of V delta 1 T Cell Receptor in Complex with CD1d-Sulfatide Shows MHC-like Recognition of a Self-Lipid by Human gamma delta T Cells. Immunity, 39, 2013
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4MQ7
| Structure of human CD1d-sulfatide | Descriptor: | (15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d, ... | Authors: | Luoma, A.M, Adams, E.J. | Deposit date: | 2013-09-15 | Release date: | 2013-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6032 Å) | Cite: | Crystal Structure of V delta 1 T Cell Receptor in Complex with CD1d-Sulfatide Shows MHC-like Recognition of a Self-Lipid by Human gamma delta T Cells. Immunity, 39, 2013
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4MNH
| Structure of the DP10.7 TCR | Descriptor: | Human nkt tcr alpha chain, T-cell receptor gamma chain V region PT-gamma-1/2, Human nkt tcr beta chain | Authors: | Luoma, A.M, Adams, E.J. | Deposit date: | 2013-09-10 | Release date: | 2013-12-18 | Last modified: | 2017-06-14 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal Structure of V delta 1 T Cell Receptor in Complex with CD1d-Sulfatide Shows MHC-like Recognition of a Self-Lipid by Human gamma delta T Cells. Immunity, 39, 2013
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4NDM
| Structure of the AB18.1 TCR | Descriptor: | Human nkt tcr alpha chain, T-cell gamma protein,T-cell receptor beta-2 chain C region | Authors: | Luoma, A.M, Adams, E.J. | Deposit date: | 2013-10-27 | Release date: | 2013-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.0065 Å) | Cite: | Crystal Structure of V delta 1 T Cell Receptor in Complex with CD1d-Sulfatide Shows MHC-like Recognition of a Self-Lipid by Human gamma delta T Cells. Immunity, 39, 2013
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7F70
| Crystal structure of Rv3094c | Descriptor: | Rv3094c | Authors: | Wang, Z.X, Ouyang, S.Y, Zhang, H.T. | Deposit date: | 2021-06-26 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Omics analysis of Mycobacterium tuberculosis isolates uncovers Rv3094c, an ethionamide metabolism-associated gene. Commun Biol, 6, 2023
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7F74
| Rv3094c in complex with FMN. | Descriptor: | FLAVIN MONONUCLEOTIDE, Rv3094c | Authors: | Wang, Z.X, Ouyang, S.Y. | Deposit date: | 2021-06-27 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Omics analysis of Mycobacterium tuberculosis isolates uncovers Rv3094c, an ethionamide metabolism-associated gene. Commun Biol, 6, 2023
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7F72
| Rv3094c in complex with FAD and ETH. | Descriptor: | 2-ethylpyridine-4-carboximidothioic acid, FLAVIN MONONUCLEOTIDE, Rv3094c | Authors: | Wang, Z.X, Ouyang, S.Y. | Deposit date: | 2021-06-27 | Release date: | 2022-07-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Omics analysis of Mycobacterium tuberculosis isolates uncovers Rv3094c, an ethionamide metabolism-associated gene. Commun Biol, 6, 2023
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7S05
| Cryo-EM structure of human GlcNAc-1-phosphotransferase A2B2 subcomplex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Li, H, Li, H. | Deposit date: | 2021-08-30 | Release date: | 2022-03-30 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structure of the human GlcNAc-1-phosphotransferase alpha beta subunits reveals regulatory mechanism for lysosomal enzyme glycan phosphorylation. Nat.Struct.Mol.Biol., 29, 2022
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7S06
| Cryo-EM structure of human GlcNAc-1-phosphotransferase A2B2 subcomplex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetylglucosamine-1-phosphotransferase subunits alpha/beta | Authors: | Li, H, Li, H. | Deposit date: | 2021-08-30 | Release date: | 2022-03-30 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure of the human GlcNAc-1-phosphotransferase alpha beta subunits reveals regulatory mechanism for lysosomal enzyme glycan phosphorylation. Nat.Struct.Mol.Biol., 29, 2022
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5KWA
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8HN9
| Human SIRT3 Recognizing CCNE2K348la peptide | Descriptor: | CCNE2 peptide, IMIDAZOLE, NAD-dependent protein deacetylase sirtuin-3, ... | Authors: | Wang, Y, Ding, W. | Deposit date: | 2022-12-07 | Release date: | 2023-05-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | SIRT3-dependent delactylation of cyclin E2 prevents hepatocellular carcinoma growth. Embo Rep., 24, 2023
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8J1X
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8J1W
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3SP7
| Crystal Structure of Bcl-xL bound to BM903 | Descriptor: | 5-(4-chlorophenyl)-4-{3-[4-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]amino}phenyl)piperazin-1-yl]phenyl}-1,2-dimethyl-1H-pyrrole-3-carboxylic acid, ACETATE ION, Bcl-2-like protein 1, ... | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2011-07-01 | Release date: | 2012-07-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure-based design of a new class of potent Bcl-2/Bcl-xL inhibitors To be Published
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3SPF
| Crystal Structure of Bcl-xL bound to BM501 | Descriptor: | 4-(4-chlorophenyl)-1-[(3S)-3,4-dihydroxybutyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1H-pyrrole-2-carboxamide, Bcl-2-like protein 1, GLYCEROL | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2011-07-01 | Release date: | 2012-06-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design of Bcl-2 and Bcl-xL Inhibitors with Subnanomolar Binding Affinities Based upon a New Scaffold. J.Med.Chem., 55, 2012
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6C7Q
| BRD4 BD2 in complex with compound CE277 | Descriptor: | 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methyl-1H-indazol-3-yl)-9H-pyrimido[4,5-b]indol-4-amine, Bromodomain-containing protein 4 | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2018-01-23 | Release date: | 2018-08-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor. J. Med. Chem., 61, 2018
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5TCC
| Complement Factor D inhibited with JH4 | Descriptor: | (2S)-N-(6-bromopyridin-2-yl)-3-[(1H-indazol-1-yl)acetyl]-1,3-thiazolidine-2-carboxamide, Complement factor D | Authors: | Stuckey, J.A. | Deposit date: | 2016-09-14 | Release date: | 2016-10-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.37 Å) | Cite: | Buried Hydrogen Bond Interactions Contribute to the High Potency of Complement Factor D Inhibitors. ACS Med Chem Lett, 7, 2016
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5TCA
| Complement Factor D inhibited with JH3 | Descriptor: | 1-(2-{(2S)-2-[(6-bromopyridin-2-yl)carbamoyl]-1,3-thiazolidin-3-yl}-2-oxoethyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide, Complement factor D | Authors: | Stuckey, J.A. | Deposit date: | 2016-09-14 | Release date: | 2016-10-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Buried Hydrogen Bond Interactions Contribute to the High Potency of Complement Factor D Inhibitors. ACS Med Chem Lett, 7, 2016
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5U8S
| Structure of eukaryotic CMG helicase at a replication fork | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 45, DNA (26-MER), ... | Authors: | Li, H, Li, B, Georgescu, R, Yuan, Z, Santos, R, Sun, J, Zhang, D, Yurieva, O, O'Donnell, M.E. | Deposit date: | 2016-12-14 | Release date: | 2017-01-25 | Last modified: | 2020-01-01 | Method: | ELECTRON MICROSCOPY (6.101 Å) | Cite: | Structure of eukaryotic CMG helicase at a replication fork and implications to replisome architecture and origin initiation. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5D4T
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5U8T
| Structure of Eukaryotic CMG Helicase at a Replication Fork and Implications | Descriptor: | Cell division control protein 45, DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA replication complex GINS protein PSF1, ... | Authors: | Li, B, Georgescu, R, Yuan, Z, Santos, R, Sun, J, Zhang, D, Yurieva, O, Li, H, O'Donnell, M.E. | Deposit date: | 2016-12-15 | Release date: | 2017-02-08 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | Structure of eukaryotic CMG helicase at a replication fork and implications to replisome architecture and origin initiation. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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