8DTL
| Cryo-EM structure of insulin receptor (IR) bound with S597 peptide | Descriptor: | Insulin mimetic peptide S597, Insulin receptor | Authors: | Park, J, Li, J, Mayer, J.P, Ball, K.A, Wu, J.Y, Hall, C, Accili, D, Stowell, M.H.B, Bai, X.C, Choi, E. | Deposit date: | 2022-07-25 | Release date: | 2022-09-07 | Last modified: | 2022-10-12 | Method: | ELECTRON MICROSCOPY (5.4 Å) | Cite: | Activation of the insulin receptor by an insulin mimetic peptide. Nat Commun, 13, 2022
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3CF8
| Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with quercetin | Descriptor: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 3,5,7,3',4'-PENTAHYDROXYFLAVONE, BENZAMIDINE, ... | Authors: | Zhang, L, Wu, D, Liu, W, Shen, X, Jiang, H. | Deposit date: | 2008-03-03 | Release date: | 2008-12-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Three flavonoids targeting the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: crystal structure characterization with enzymatic inhibition assay Protein Sci., 17, 2008
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8EYX
| Cryo-EM structure of 4 insulins bound full-length mouse IR mutant with physically decoupled alpha CTs (C684S/C685S/C687S; denoted as IR-3CS) Asymmetric conformation 1 | Descriptor: | Insulin, Insulin receptor | Authors: | Li, J, Wu, J.Y, Hall, C, Bai, X.C, Choi, E. | Deposit date: | 2022-10-29 | Release date: | 2022-11-09 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Molecular basis for the role of disulfide-linked alpha CTs in the activation of insulin-like growth factor 1 receptor and insulin receptor. Elife, 11, 2022
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8EYY
| Cryo-EM structure of 4 insulins bound full-length mouse IR mutant with physically decoupled alpha CTs (C684S/C685S/C687S, denoted as IR-3CS) Asymmetric conformation 2 | Descriptor: | Insulin, Insulin receptor | Authors: | Li, J, Wu, J.Y, Hall, C, Bai, X.C, Choi, E. | Deposit date: | 2022-10-29 | Release date: | 2022-11-09 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | Molecular basis for the role of disulfide-linked alpha CTs in the activation of insulin-like growth factor 1 receptor and insulin receptor. Elife, 11, 2022
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8EYR
| Cryo-EM structure of two IGF1 bound full-length mouse IGF1R mutant (four glycine residues inserted in the alpha-CT; IGF1R-P674G4): symmetric conformation | Descriptor: | Insulin-like growth factor 1 receptor, Insulin-like growth factor I | Authors: | Li, J, Wu, J.Y, Hall, C, Bai, X.C, Choi, E. | Deposit date: | 2022-10-28 | Release date: | 2022-11-09 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Molecular basis for the role of disulfide-linked alpha CTs in the activation of insulin-like growth factor 1 receptor and insulin receptor. Elife, 11, 2022
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8EZ0
| Cryo-EM structure of 4 insulins bound full-length mouse IR mutant with physically decoupled alpha CTs (C684S/C685S/C687S; denoted as IR-3CS) Symmetric conformation | Descriptor: | Insulin, Insulin receptor | Authors: | Li, J, Wu, J.Y, Hall, C, Bai, X.C, Choi, E. | Deposit date: | 2022-10-29 | Release date: | 2022-11-09 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Molecular basis for the role of disulfide-linked alpha CTs in the activation of insulin-like growth factor 1 receptor and insulin receptor. Elife, 11, 2022
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2PE2
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6HHO
| Crystal structure of RIP1 kinase in complex with GSK547 | Descriptor: | 6-[4-[(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile, Receptor-interacting serine/threonine-protein kinase 1 | Authors: | Thorpe, J.H, Harris, P.A. | Deposit date: | 2018-08-28 | Release date: | 2018-12-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.49 Å) | Cite: | RIP1 Kinase Drives Macrophage-Mediated Adaptive Immune Tolerance in Pancreatic Cancer. Cancer Cell, 34, 2018
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6IYF
| Structure of pSTING complex | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, SULFATE ION, Stimulator of interferon genes protein | Authors: | Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C. | Deposit date: | 2018-12-15 | Release date: | 2019-06-19 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.764 Å) | Cite: | Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins. J.Biol.Chem., 294, 2019
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2PE0
| CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) 5-Hydroxy-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-1,3-dihydro-indol-2-one COMPLEX | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 5-HYDROXY-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-2-ONE, GLYCEROL, ... | Authors: | Whitlow, M, Adler, M. | Deposit date: | 2007-04-01 | Release date: | 2007-06-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: Design, synthesis and biological activity. Bioorg.Med.Chem.Lett., 17, 2007
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2PE1
| CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) {2-Oxo-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-2,3-dihydro-1H-indol-5-yl}-urea {BX-517} COMPLEX | Descriptor: | 1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-5-YL}UREA, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ... | Authors: | Whitlow, M, Adler, M. | Deposit date: | 2007-04-01 | Release date: | 2007-06-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: Design, synthesis and biological activity. Bioorg.Med.Chem.Lett., 17, 2007
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4XOI
| Structure of hsAnillin bound with RhoA(Q63L) at 2.1 Angstroms resolution | Descriptor: | Actin-binding protein anillin, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Sun, L, Guan, R, Lee, I.-J, Liu, Y, Chen, M, Wang, J, Wu, J, Chen, Z. | Deposit date: | 2015-01-16 | Release date: | 2015-07-15 | Last modified: | 2022-03-23 | Method: | X-RAY DIFFRACTION (2.092 Å) | Cite: | Mechanistic insights into the anchorage of the contractile ring by anillin and mid1 Dev.Cell, 33, 2015
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4YHC
| Crystal structure of the WD40 domain of SCAP from fission yeast | Descriptor: | CITRIC ACID, Sterol regulatory element-binding protein cleavage-activating protein | Authors: | Gong, X, Li, J.X, Wu, J.P, Yan, C.Y, Yan, N. | Deposit date: | 2015-02-27 | Release date: | 2015-04-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure of the WD40 domain of SCAP from fission yeast reveals the molecular basis for SREBP recognition. Cell Res., 25, 2015
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7LF6
| Structure of lysosomal membrane protein | Descriptor: | Endosomal/lysosomal potassium channel TMEM175 | Authors: | Shen, C, Fu, T.M, Wang, L.F, Rawson, S, Wu, H. | Deposit date: | 2021-01-15 | Release date: | 2022-01-26 | Last modified: | 2023-08-09 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | pH regulates potassium conductance and drives a constitutive proton current in human TMEM175. Sci Adv, 8, 2022
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8U2E
| Bruton's tyrosine kinase in complex with N-[(2R)-1-[(3R)-3-(methylcarbamoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide | Descriptor: | (2S)-6-fluoro-5-[(3S)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-(4-methylpiperazine-1-carbonyl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Gajewski, S, Clifton, M.C. | Deposit date: | 2023-09-05 | Release date: | 2024-01-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and Preclinical Pharmacology of NX-2127, an Orally Bioavailable Degrader of Bruton's Tyrosine Kinase with Immunomodulatory Activity for the Treatment of Patients with B Cell Malignancies. J.Med.Chem., 67, 2024
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8U2D
| Bruton's tyrosine kinase in complex with N-[(2R)-1-[(3R)-3-(methylcarbamoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide | Descriptor: | (3R)-2-[N-(1H-indazole-5-carbonyl)-3-methyl-D-phenylalanyl]-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Gajewski, S, Clifton, M.C. | Deposit date: | 2023-09-05 | Release date: | 2024-01-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery and Preclinical Pharmacology of NX-2127, an Orally Bioavailable Degrader of Bruton's Tyrosine Kinase with Immunomodulatory Activity for the Treatment of Patients with B Cell Malignancies. J.Med.Chem., 67, 2024
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3CF9
| Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with apigenin | Descriptor: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, BENZAMIDINE, ... | Authors: | Zhang, L, Wu, D, Liu, W, Shen, X, Jiang, H. | Deposit date: | 2008-03-03 | Release date: | 2008-12-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Three flavonoids targeting the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: crystal structure characterization with enzymatic inhibition assay Protein Sci., 17, 2008
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7LAD
| Clobetasol propionate bound to CYP3A5 | Descriptor: | Clobetasol propionate, Cytochrome P450 3A5, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Buchman, C.D, Miller, D, Wang, J, Jayaraman, S, Chen, T. | Deposit date: | 2021-01-06 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Unraveling the Structural Basis of Selective Inhibition of Human Cytochrome P450 3A5. J.Am.Chem.Soc., 143, 2021
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3D04
| Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with sakuranetin | Descriptor: | (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one, (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, ... | Authors: | Zhang, L, Kong, Y, Wu, D, Shen, X, Jiang, H. | Deposit date: | 2008-05-01 | Release date: | 2008-12-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Three flavonoids targeting the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: crystal structure characterization with enzymatic inhibition assay Protein Sci., 17, 2008
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7M2N
| Crystal structure of Human Lactate Dehydrogenase A with Inhibitor Compound 15 | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1H-1,2,3-triazole-4-carboxylic acid, ... | Authors: | Gumpena, R, Ding, J, Powell, D.A, Lowther, W.T. | Deposit date: | 2021-03-17 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Dual Glycolate Oxidase/Lactate Dehydrogenase A Inhibitors for Primary Hyperoxaluria ACS Medicinal Chemistry Letters, 12, 2021
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7M2O
| Crystal structure of Human Glycolate Oxidase with Inhibitor Compound 15 | Descriptor: | 1,2-ETHANEDIOL, 5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1H-1,2,3-triazole-4-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | Authors: | Gumpena, R, Ding, J, Powell, D.A, Lowther, W.T. | Deposit date: | 2021-03-17 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Dual Glycolate Oxidase/Lactate Dehydrogenase A Inhibitors for Primary Hyperoxaluria ACS Medicinal Chemistry Letters, 12, 2021
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4XU5
| Crystal structure of MvINS bound to a bromine-derived 14C Diacylglycerol (DAG) at 2.1A resolution | Descriptor: | (2S)-1-[(13-bromotridecanoyl)oxy]-3-hydroxypropan-2-yl tetradecanoate, DECANE, Uncharacterized protein, ... | Authors: | Ren, R.B, Wu, J.P, Yan, C.Y, He, Y, Yan, N. | Deposit date: | 2015-01-25 | Release date: | 2015-10-14 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | PROTEIN STRUCTURE. Crystal structure of a mycobacterial Insig homolog provides insight into how these sensors monitor sterol levels Science, 349, 2015
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4XU4
| Crystal structure of a mycobacterial Insig homolog MvINS from Mycobacterium vanbaalenii at 1.9A resolution | Descriptor: | DECYLAMINE-N,N-DIMETHYL-N-OXIDE, Uncharacterized protein, nonyl beta-D-glucopyranoside | Authors: | Ren, R.B, Wu, J.P, Yan, C.Y, He, Y, Yan, N. | Deposit date: | 2015-01-25 | Release date: | 2015-10-14 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | PROTEIN STRUCTURE. Crystal structure of a mycobacterial Insig homolog provides insight into how these sensors monitor sterol levels Science, 349, 2015
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4XU6
| Crystal structure of cross-linked MvINS R77C trimer at 1.9A resolution | Descriptor: | N-TRIDECANOIC ACID, Uncharacterized protein, octyl beta-D-glucopyranoside | Authors: | Ren, R.B, Wu, J.P, Yan, C.Y, He, Y, Yan, N. | Deposit date: | 2015-01-25 | Release date: | 2015-10-14 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | PROTEIN STRUCTURE. Crystal structure of a mycobacterial Insig homolog provides insight into how these sensors monitor sterol levels Science, 349, 2015
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6IWI
| Crystal structure of PDE5A in complex with a novel inhibitor | Descriptor: | MAGNESIUM ION, N-[3-(4,5-diethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-4-propoxyphenyl]-2-(4-methylpiperazin-1-yl)acetamide, ZINC ION, ... | Authors: | Zhang, X.L, Xu, Y.C. | Deposit date: | 2018-12-05 | Release date: | 2019-12-11 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.155 Å) | Cite: | Pharmacokinetics-Driven Optimization of 4(3 H)-Pyrimidinones as Phosphodiesterase Type 5 Inhibitors Leading to TPN171, a Clinical Candidate for the Treatment of Pulmonary Arterial Hypertension. J.Med.Chem., 62, 2019
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