4QR3
 
 | | Brd4 Bromodomain 1 complex with its novel inhibitors | | Descriptor: | Bromodomain-containing protein 4, N-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide | | Authors: | Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C. | | Deposit date: | 2014-06-30 | | Release date: | 2015-07-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.374 Å) | | Cite: | Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
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4QR4
 | | Brd4 Bromodomain 1 complex with its novel inhibitors | | Descriptor: | 2-chloro-N-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide, Bromodomain-containing protein 4 | | Authors: | Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C. | | Deposit date: | 2014-06-30 | | Release date: | 2015-07-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
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8JJ9
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4DU0
 | | Crystal structure of human alpha-defensin 1, HNP1 (G17A mutant) | | Descriptor: | CHLORIDE ION, GLYCEROL, Neutrophil defensin 1 | | Authors: | Wu, X, Lu, W, Pazgier, M. | | Deposit date: | 2012-02-21 | | Release date: | 2012-04-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Invariant gly residue is important for alpha-defensin folding, dimerization, and function: a case study of the human neutrophil alpha-defensin HNP1
J.Biol.Chem., 287, 2012
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3PA4
 | | X-ray crystal structure of compound 2a bound to human CHK1 kinase domain | | Descriptor: | 2-(4-chlorophenyl)-4-[(3S)-piperidin-3-ylamino]thieno[3,2-c]pyridine-7-carboxamide, GLYCEROL, Serine/threonine-protein kinase Chk1 | | Authors: | Fischmann, T.O. | | Deposit date: | 2010-10-18 | | Release date: | 2010-12-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Design, synthesis and SAR of thienopyridines as potent CHK1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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3PA3
 | | X-ray crystal structure of compound 70 bound to human CHK1 kinase domain | | Descriptor: | 2-(4-chlorophenyl)-4-[(3S)-piperidin-3-ylamino]thieno[2,3-d]pyridazine-7-carboxamide, Serine/threonine-protein kinase Chk1 | | Authors: | Fischmann, T.O. | | Deposit date: | 2010-10-18 | | Release date: | 2010-12-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Design, synthesis and SAR of thienopyridines as potent CHK1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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3PA5
 | | X-ray crystal structure of compound 1 bound to human CHK1 kinase domain | | Descriptor: | 2-(carbamoylamino)-5-(4-chlorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide, GLYCEROL, Serine/threonine-protein kinase Chk1 | | Authors: | Fischmann, T.O. | | Deposit date: | 2010-10-18 | | Release date: | 2010-12-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design, synthesis and SAR of thienopyridines as potent CHK1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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8HA0
 | | Molecular recognition of two endogenous hormones by the human parathyroid hormone receptor-1 | | Descriptor: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Zhao, L, Xu, H.E, Yuan, Q. | | Deposit date: | 2022-10-26 | | Release date: | 2022-12-21 | | Last modified: | 2023-05-31 | | Method: | ELECTRON MICROSCOPY (2.62 Å) | | Cite: | Molecular recognition of two endogenous hormones by the human parathyroid hormone receptor-1.
Acta Pharmacol.Sin., 44, 2023
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8HAF
 | | PTHrP-PTH1R-Gs complex | | Descriptor: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Zhao, L, Xu, H.E, Yuan, Q. | | Deposit date: | 2022-10-26 | | Release date: | 2022-12-21 | | Last modified: | 2023-05-31 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Molecular recognition of two endogenous hormones by the human parathyroid hormone receptor-1.
Acta Pharmacol.Sin., 44, 2023
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8HAO
 | | Human parathyroid hormone receptor-1 dimer | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha, ... | | Authors: | Zhao, L, Xu, H.E, Yuan, Q. | | Deposit date: | 2022-10-26 | | Release date: | 2022-12-21 | | Last modified: | 2023-05-31 | | Method: | ELECTRON MICROSCOPY (3.76 Å) | | Cite: | Molecular recognition of two endogenous hormones by the human parathyroid hormone receptor-1.
Acta Pharmacol.Sin., 44, 2023
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4LB1
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4LBB
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4LB7
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4LBF
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8JR9
 | | Small molecule agonist (PCO371) bound to human parathyroid hormone receptor type 1 (PTH1R) | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha-1, ... | | Authors: | Zhao, L, He, Q, Yuan, Q, Gu, Y, He, X, Shan, H, Li, J, Wang, K, Li, Y, Hu, W, Wu, K, Shen, J, Xu, H.E. | | Deposit date: | 2023-06-16 | | Release date: | 2023-08-02 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (2.57 Å) | | Cite: | Conserved class B GPCR activation by a biased intracellular agonist.
Nature, 621, 2023
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7XX4
 | | designed glycosyltransferase | | Descriptor: | Oleandomycin glycosyltransferase, URIDINE-5'-DIPHOSPHATE-GLUCOSE | | Authors: | Lu, M, Wu, X. | | Deposit date: | 2022-05-28 | | Release date: | 2023-06-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Design of a chimeric glycosyltransferase OleD for the site-specific O-monoglycosylation of 3-hydroxypyridine in nosiheptide.
Microb Biotechnol, 16, 2023
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3U3S
 | | The S-SAD phased crystal structure of the ecto-domain of Death Receptor 6 (DR6) | | Descriptor: | Tumor necrosis factor receptor superfamily member 21 | | Authors: | Ru, H, Zhao, L.X, Ding, W, Jiao, L.Y, Shaw, N, Zhang, L.G, Hung, L.W, Matsugaki, N, Wakatsuki, S, Liu, Z.J. | | Deposit date: | 2011-10-06 | | Release date: | 2012-05-02 | | Last modified: | 2013-07-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | S-SAD phasing study of death receptor 6 and its solution conformation revealed by SAXS.
Acta Crystallogr.,Sect.D, 68, 2012
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3U3P
 | | The S-SAD phased crystal structure of the ecto-domain of Death Receptor 6 (DR6) | | Descriptor: | Tumor necrosis factor receptor superfamily member 21 | | Authors: | Ru, H, Zhao, L.X, Ding, W, Jiao, L.Y, Shaw, N, Zhang, L.G, Hung, L.W, Matsugaki, N, Wakatsuki, S, Liu, Z.J. | | Deposit date: | 2011-10-06 | | Release date: | 2012-05-02 | | Last modified: | 2013-07-10 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | S-SAD phasing study of death receptor 6 and its solution conformation revealed by SAXS
Acta Crystallogr.,Sect.D, 68, 2012
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3KE1
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4XFQ
 | | Crystal Structure Basis for PEDV 3C Like Protease | | Descriptor: | PEDV main protease | | Authors: | Ye, G, Fu, Z.F, Peng, G.Q. | | Deposit date: | 2014-12-28 | | Release date: | 2016-01-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural basis for the dimerization and substrate recognition specificity of porcine epidemic diarrhea virus 3C-like protease.
Virology, 494, 2016
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8UVL
 | | Crystal structure of selective IRE1a inhibitor 29 at the enzyme active site | | Descriptor: | 1,2-ETHANEDIOL, 1-phenyl-N-(2,3,6-trifluoro-4-{[(3M)-3-(2-{[(3R,5R)-5-fluoropiperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)methanesulfonamide, Serine/threonine-protein kinase/endoribonuclease IRE1 | | Authors: | Kiefer, J.R, Wallweber, H.A, Braun, M.-G, Wei, W, Jiang, F, Wang, W, Rudolph, J, Ashkenazi, A. | | Deposit date: | 2023-11-03 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Discovery of Potent, Selective, and Orally Available IRE1 alpha Inhibitors Demonstrating Comparable PD Modulation to IRE1 Knockdown in a Multiple Myeloma Model.
J.Med.Chem., 2024
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7V35
 | | Cryo-EM structure of the GIPR/GLP-1R/GCGR triagonist peptide 20-bound human GCGR-Gs complex | | Descriptor: | Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Zhao, F.h, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W. | | Deposit date: | 2021-08-10 | | Release date: | 2022-03-02 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
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6DRM
 | | OTU domain of Fam105A | | Descriptor: | Inactive ubiquitin thioesterase FAM105A | | Authors: | Ceccarelli, D.F, Sicheri, F, Cordes, S. | | Deposit date: | 2018-06-12 | | Release date: | 2019-05-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | FAM105A/OTULINL Is a Pseudodeubiquitinase of the OTU-Class that Localizes to the ER Membrane.
Structure, 27, 2019
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6DMM
 | | Crystal structure of the G23A mutant of human alpha defensin HNP4. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Neutrophil defensin 4, SULFATE ION | | Authors: | Gohain, N, Tolbert, W.D, Pazgier, M. | | Deposit date: | 2018-06-05 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Systematic mutational analysis of human neutrophil alpha-defensin HNP4.
Biochim Biophys Acta Biomembr, 1861, 2019
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8W4V
 | | Crystal structure of human HSP90 in complex with compound 4 | | Descriptor: | 4-[2-[(dimethylamino)methyl]phenyl]sulfanylbenzene-1,3-diol, Heat shock protein HSP 90-alpha, MAGNESIUM ION | | Authors: | Xu, C, Zhang, X.L, Bai, F. | | Deposit date: | 2023-08-25 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Accurate Characterization of Binding Kinetics and Allosteric Mechanisms for the HSP90 Chaperone Inhibitors Using AI-Augmented Integrative Biophysical Studies.
Jacs Au, 4, 2024
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