2YKI
 
 | | Tricyclic series of Hsp90 inhibitors | | Descriptor: | 1-H-PYRROLO[2,3-B]PYRIDINE-4-CARBOXYLIC ACID [4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-9H-FLUOREN-9-YL]-AMIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA | | Authors: | Dupuy, A, Vallee, F. | | Deposit date: | 2011-05-27 | | Release date: | 2011-10-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 54, 2011
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1W3Y
 | | Crystal structure of S. pneumoniae hyaluronate lyase in complex with palmitoyl-vitamin C | | Descriptor: | (2E,4R,5S)-2,3,4,5-TETRAHYDROXY-6-(PALMITOYLOXY)HEX-2-ENOIC ACID, HYALURONATE LYASE, SULFATE ION, ... | | Authors: | Rigden, D.J, Jedrzejas, M.J. | | Deposit date: | 2004-07-21 | | Release date: | 2004-08-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | L-Ascorbic Acid 6-Hexadecanoate, a Potent Hyaluronidase Inhibitor: X-Ray Structure and Molecular Modeling of Enzyme-Inhibitor Complexes
J.Biol.Chem., 279, 2004
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4FCB
 | | Potent and Selective Phosphodiesterase 10A Inhibitors | | Descriptor: | 3,4-dimethyl-1-propyl-7-(quinolin-2-ylmethoxy)imidazo[1,5-a]quinoxaline, MAGNESIUM ION, ZINC ION, ... | | Authors: | Parris, K.D. | | Deposit date: | 2012-05-24 | | Release date: | 2012-09-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Novel triazines as potent and selective phosphodiesterase 10A inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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4FCD
 | | Potent and Selective Phosphodiesterase 10A Inhibitors | | Descriptor: | 1-(2-chlorophenyl)-6,8-dimethoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine, MAGNESIUM ION, ZINC ION, ... | | Authors: | Parris, K.D. | | Deposit date: | 2012-05-24 | | Release date: | 2012-09-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Novel triazines as potent and selective phosphodiesterase 10A inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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1BZW
 | | PEANUT LECTIN COMPLEXED WITH C-LACTOSE | | Descriptor: | CALCIUM ION, MANGANESE (II) ION, PROTEIN (PEANUT LECTIN), ... | | Authors: | Ravishankar, R, Surolia, A, Vijayan, M, Lim, S, Kishi, Y. | | Deposit date: | 1998-11-05 | | Release date: | 1998-11-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Preferred Conformation of C-Lactose at the Free and Peanut Lectin Bound States
J.Am.Chem.Soc., 120, 1998
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7U9S
 | | Crystal structure of human D-amino acid oxidase in complex with inhibitor | | Descriptor: | 5-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,4-dihydropyrazine-2,3-dione, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Skene, R.J, Bell, J.A. | | Deposit date: | 2022-03-11 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of a Novel Class of d-Amino Acid Oxidase Inhibitors Using the Schrodinger Computational Platform.
J.Med.Chem., 65, 2022
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7U9U
 | | Crystal structure of human D-amino acid oxidase in complex with inhibitor | | Descriptor: | (3R)-3-(5,6-dioxo-1,4,5,6-tetrahydropyrazin-2-yl)-2,3-dihydro-1,4-benzoxathiine-7-carbonitrile, BENZOIC ACID, D-amino-acid oxidase, ... | | Authors: | Skene, R.J, Bell, J.A. | | Deposit date: | 2022-03-11 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Discovery of a Novel Class of d-Amino Acid Oxidase Inhibitors Using the Schrodinger Computational Platform.
J.Med.Chem., 65, 2022
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8RCT
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8RCM
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8RCS
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8RCL
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5GMJ
 | | Crystal Structure of GRASP55 GRASP domain in complex with JAM-B C-terminus | | Descriptor: | Golgi reassembly-stacking protein 2, Junctional adhesion molecule B | | Authors: | Shi, N, Shi, X, Morelli, X, Betzi, S, Huang, X. | | Deposit date: | 2016-07-14 | | Release date: | 2017-05-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.986 Å) | | Cite: | Genetic, structural, and chemical insights into the dual function of GRASP55 in germ cell Golgi remodeling and JAM-C polarized localization during spermatogenesis
PLoS Genet., 13, 2017
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5GMI
 | | Crystal Structure of GRASP55 GRASP domain in complex with JAM-C C-terminus | | Descriptor: | Golgi reassembly-stacking protein 2, Junctional adhesion molecule C | | Authors: | Shi, N, Shi, X, Morelli, X, Betzi, S, Huang, X. | | Deposit date: | 2016-07-14 | | Release date: | 2017-05-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Genetic, structural, and chemical insights into the dual function of GRASP55 in germ cell Golgi remodeling and JAM-C polarized localization during spermatogenesis
PLoS Genet., 13, 2017
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6N0Q
 | | BRAF in complex with N-(4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)phenyl)-3-(trifluoromethyl)benzamide. | | Descriptor: | N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf | | Authors: | Mamo, M, Appleton, B.A. | | Deposit date: | 2018-11-07 | | Release date: | 2019-10-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic.
J.Med.Chem., 63, 2020
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6N0P
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8TBP
 | | HLA-DRB1*15:01 in complex with smith antigen | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DR alpha chain, ... | | Authors: | Ting, Y.T, Broury, A, Ooi, J. | | Deposit date: | 2023-06-29 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.12621117 Å) | | Cite: | Smith-specific regulatory T cells halt the progression of lupus nephritis.
Nat Commun, 15, 2024
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4GDN
 | | Structure of FmtA-like protein | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Protein flp | | Authors: | Cougnoux, A, Gibold, L, Delmas, J, Robin, F, Dalmasso, G, Bonnet, R. | | Deposit date: | 2012-08-01 | | Release date: | 2012-10-03 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Analysis of Structure-Function Relationships in the Colibactin-Maturating Enzyme ClbP.
J.Mol.Biol., 424, 2012
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5HIU
 | | Structure of the TSC2 N-terminus | | Descriptor: | GTPase activator-like protein | | Authors: | Zech, R, Kiontke, S, Kummel, D. | | Deposit date: | 2016-01-12 | | Release date: | 2016-08-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the Tuberous Sclerosis Complex 2 (TSC2) N Terminus Provides Insight into Complex Assembly and Tuberous Sclerosis Pathogenesis.
J.Biol.Chem., 291, 2016
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8OG5
 | | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 1 | | Descriptor: | 1,2-ETHANEDIOL, 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, ACETATE ION, ... | | Authors: | Schroeder, M, Vulpetti, A, Renatus, M. | | Deposit date: | 2023-03-19 | | Release date: | 2023-06-14 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
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8OG6
 | | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 1 | | Descriptor: | 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, ACETATE ION, DDB1- and CUL4-associated factor 1 | | Authors: | Schroeder, M, Vulpetti, A, Renatus, M. | | Deposit date: | 2023-03-19 | | Release date: | 2023-06-14 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.245 Å) | | Cite: | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
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8OG8
 | | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 3 | | Descriptor: | 1,2-ETHANEDIOL, 5-(2-methyl-1-phenyl-propan-2-yl)imidazo[2,1-a]isoquinoline, ACETATE ION, ... | | Authors: | Schroeder, M, Vulpetti, A, Renatus, M. | | Deposit date: | 2023-03-19 | | Release date: | 2023-06-14 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
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8OGC
 | | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 11 | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclopentyl]quinazolin-7-yl]piperazin-1-yl]ethanone, ACETATE ION, ... | | Authors: | Schroeder, M, Vulpetti, A, Renatus, M. | | Deposit date: | 2023-03-19 | | Release date: | 2023-06-14 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
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8OG7
 | | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 2 | | Descriptor: | (4~{R})-4-[3-(4-chloranylphenoxy)phenyl]pyrrolidin-2-imine, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Schroeder, M, Vulpetti, A, Renatus, M. | | Deposit date: | 2023-03-19 | | Release date: | 2023-06-14 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
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8OG9
 | | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 4 | | Descriptor: | 5-[1-(4-chlorophenyl)cyclopropyl]imidazo[2,1-a]isoquinoline, DDB1- and CUL4-associated factor 1 | | Authors: | Schroeder, M, Vulpetti, A, Renatus, M. | | Deposit date: | 2023-03-19 | | Release date: | 2023-06-14 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.945 Å) | | Cite: | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
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8OGA
 | | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 6 | | Descriptor: | 1,2-ETHANEDIOL, 5-[1-(4-methoxyphenyl)cyclopropyl]-8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline, DDB1- and CUL4-associated factor 1, ... | | Authors: | Schroeder, M, Vulpetti, A, Renatus, M. | | Deposit date: | 2023-03-19 | | Release date: | 2023-06-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
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