4HXN
 
 | | Brd4 Bromodomain 1 complex with 4-(2-FLUOROPHENYL)-1,3-THIAZOL-2(3H)-ONE inhibitor | | Descriptor: | 4-(2-fluorophenyl)-1,3-thiazol-2(3H)-one, Bromodomain-containing protein 4 | | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | | Deposit date: | 2012-11-12 | | Release date: | 2013-04-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
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6M7T
 | | Human DNA polymerase eta in a non-productive ternary complex with Ca2+ and dTTP oppositing cdA | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DNA (5'-D(*AP*GP*TP*GP*TP*GP*AP*G)-3'), ... | | Authors: | Weng, P, Gao, Y, Yang, W. | | Deposit date: | 2018-08-21 | | Release date: | 2018-09-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Bypassing a 8,5'-cyclo-2'-deoxyadenosine lesion by human DNA polymerase eta at atomic resolution.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4HXP
 | | Brd4 Bromodomain 1 complex with 4-(2-OXO-1,3-OXAZOLIDIN-3-YL)BENZAMIDE inhibitor | | Descriptor: | 4-(2-oxo-1,3-oxazolidin-3-yl)benzamide, Bromodomain-containing protein 4 | | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | | Deposit date: | 2012-11-12 | | Release date: | 2013-04-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
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6M7U
 | | Human DNA polymerase eta in a non-productive ternary complex with Mg2+ and dTMPNPP oppositing cdA | | Descriptor: | 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, CHLORIDE ION, DNA (5'-D(*AP*GP*TP*GP*TP*GP*AP*G)-3'), ... | | Authors: | Weng, P, Gao, Y, Yang, W. | | Deposit date: | 2018-08-21 | | Release date: | 2018-09-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Bypassing a 8,5'-cyclo-2'-deoxyadenosine lesion by human DNA polymerase eta at atomic resolution.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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3OJI
 | | X-ray crystal structure of the Py13 -pyrabactin complex | | Descriptor: | 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL3, SULFATE ION | | Authors: | Zhang, X, Zhang, Q, Wang, G, Chen, Z. | | Deposit date: | 2010-08-23 | | Release date: | 2011-08-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Complex Structures of the Abscisic Acid Receptor PYL3/RCAR13 Reveal a Unique Regulatory Mechanism
Structure, 20, 2012
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4HXS
 | | Brd4 Bromodomain 1 complex with N-[3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)PHENYL]-1-PHENYLMETHANESULFONAMIDE inhibitor | | Descriptor: | Bromodomain-containing protein 4, N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]-1-phenylmethanesulfonamide | | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | | Deposit date: | 2012-11-12 | | Release date: | 2013-04-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
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4F6V
 | | Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1034, mg2+ and fmp. | | Descriptor: | (2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate, 2,4-dioxo-4-{[3-(3-phenoxyphenyl)propyl]amino}butanoic acid, Dehydrosqualene synthase, ... | | Authors: | Lin, F.-Y, Zhang, Y, Liu, Y.-L, Oldfield, E. | | Deposit date: | 2012-05-15 | | Release date: | 2012-06-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis.
ACS Med Chem Lett, 3, 2012
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8WGW
 | | Local refinement of RBD-ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Wei, X, Zhang, Z. | | Deposit date: | 2023-09-22 | | Release date: | 2024-02-28 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | The receptor binding domain of SARS-CoV-2 Omicron subvariants targets Siglec-9 to decrease its immunogenicity by preventing macrophage phagocytosis.
Nat.Immunol., 25, 2024
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8WGV
 | | BA.2(S375) Spike (S6P)/hACE2 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Wei, X, Zhang, Z. | | Deposit date: | 2023-09-22 | | Release date: | 2024-02-28 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (2.92 Å) | | Cite: | The receptor binding domain of SARS-CoV-2 Omicron subvariants targets Siglec-9 to decrease its immunogenicity by preventing macrophage phagocytosis.
Nat.Immunol., 25, 2024
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9J4X
 | | CryoEM structure of human XPR1 in apo state | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Solute carrier family 53 member 1 | | Authors: | Zhang, W.H, Chen, Y.K, Guan, Z.Y, Liu, Z. | | Deposit date: | 2024-08-10 | | Release date: | 2024-12-04 | | Last modified: | 2025-01-15 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural insights into the mechanism of phosphate recognition and transport by XPR1.
Nat Commun, 16, 2025
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4HXL
 | | Brd4 Bromodomain 1 complex with 3-CYCLOHEXYL-N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}PROPANAMIDE inhibitor | | Descriptor: | 3-cyclohexyl-N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}propanamide, Bromodomain-containing protein 4 | | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | | Deposit date: | 2012-11-12 | | Release date: | 2013-04-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
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4HXM
 | | Brd4 Bromodomain 1 complex with N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}BUTANAMIDE inhibitor | | Descriptor: | Bromodomain-containing protein 4, N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}butanamide | | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | | Deposit date: | 2012-11-12 | | Release date: | 2013-04-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
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5EPO
 | | The three-dimensional structure of Clostridium absonum 7alpha-hydroxysteroid dehydrogenase | | Descriptor: | 7-alpha-hydroxysteroid deydrogenase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Lou, D, Wang, B, Wang, F. | | Deposit date: | 2015-11-12 | | Release date: | 2016-03-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The three-dimensional structure of Clostridium absonum 7 alpha-hydroxysteroid dehydrogenase: new insights into the conserved arginines for NADP(H) recognition
Sci Rep, 6, 2016
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9J52
 | | CryoEM structure of human XPR1 in complex with phosphate in state B | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, PHOSPHATE ION, Solute carrier family 53 member 1 | | Authors: | Zhang, W.H, Chen, Y.K, Guan, Z.Y, Liu, Z. | | Deposit date: | 2024-08-11 | | Release date: | 2025-01-15 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into the mechanism of phosphate recognition and transport by XPR1.
Nat Commun, 16, 2025
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9J53
 | | CryoEM structure of human XPR1 in complex with phosphate in state C | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, PHOSPHATE ION, Solute carrier family 53 member 1 | | Authors: | Zhang, W.H, Chen, Y.K, Guan, Z.Y, Liu, Z. | | Deposit date: | 2024-08-11 | | Release date: | 2025-01-15 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural insights into the mechanism of phosphate recognition and transport by XPR1.
Nat Commun, 16, 2025
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9J51
 | | CryoEM structure of human XPR1 in complex with phosphate in state A | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, PHOSPHATE ION, Solute carrier family 53 member 1 | | Authors: | Zhang, W.H, Chen, Y.K, Guan, Z.Y, Liu, Z. | | Deposit date: | 2024-08-11 | | Release date: | 2025-01-15 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into the mechanism of phosphate recognition and transport by XPR1.
Nat Commun, 16, 2025
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4NLD
 | | Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with BMS-791325 also known as (1aR,12bS)-8-cyclohexyl-n-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide and 2-(4-fluorophenyl)-n-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide | | Descriptor: | (1aR,12bS)-8-cyclohexyl-N-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide, 2-(4-fluorophenyl)-N-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide, RNA-directed RNA polymerase, ... | | Authors: | Sheriff, S. | | Deposit date: | 2013-11-14 | | Release date: | 2014-03-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Discovery and Preclinical Characterization of the Cyclopropylindolobenzazepine BMS-791325, A Potent Allosteric Inhibitor of the Hepatitis C Virus NS5B Polymerase.
J.Med.Chem., 57, 2014
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4N6J
 | | Crystal structure of human Striatin-3 coiled coil domain | | Descriptor: | Striatin-3 | | Authors: | Chen, C, Shi, Z, Zhou, Z. | | Deposit date: | 2013-10-13 | | Release date: | 2014-02-26 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Striatins contain a noncanonical coiled coil that binds protein phosphatase 2A A subunit to form a 2:2 heterotetrameric core of striatin-interacting phosphatase and kinase (STRIPAK) complex.
J.Biol.Chem., 289, 2014
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8WW2
 | | GPR3/Gs complex | | Descriptor: | CHOLESTEROL HEMISUCCINATE, G-protein coupled receptor 3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | He, Y, Xiong, Y. | | Deposit date: | 2023-10-24 | | Release date: | 2024-02-14 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (2.79 Å) | | Cite: | Identification of oleic acid as an endogenous ligand of GPR3.
Cell Res., 34, 2024
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4OAS
 | | co-crystal structure of MDM2 (17-111) in complex with compound 25 | | Descriptor: | E3 ubiquitin-protein ligase Mdm2, SULFATE ION, [(3R,5R,6S)-1-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid | | Authors: | Huang, X. | | Deposit date: | 2014-01-06 | | Release date: | 2014-02-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of AMG 232, a Potent, Selective, and Orally Bioavailable MDM2-p53 Inhibitor in Clinical Development.
J.Med.Chem., 57, 2014
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7YHK
 | | Cryo-EM structure of the HA trimer of A/Beijing/262/1995(H1N1) in complex with neutralizing antibody 12H5 | | Descriptor: | 12H5 heavy chain, 12H5 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zheng, Q, Li, S, Li, T, Xue, W, Sun, H. | | Deposit date: | 2022-07-13 | | Release date: | 2022-08-17 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses.
Nat Commun, 13, 2022
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9JWG
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9JW1
 | | Cryo-EM structure of Human RNF213 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Ring finger protein 213 | | Authors: | Zhang, H. | | Deposit date: | 2024-10-09 | | Release date: | 2025-05-07 | | Method: | ELECTRON MICROSCOPY (3.46 Å) | | Cite: | Shigella effector IpaH1.4 subverts host E3 ligase RNF213 to evade antibacterial immunity.
Nat Commun, 16, 2025
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4F6X
 | | Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1112 | | Descriptor: | 1-[3-(hexyloxy)benzyl]-4-hydroxy-2-oxo-1,2-dihydropyridine-3-carboxylic acid, D(-)-TARTARIC ACID, Dehydrosqualene synthase, ... | | Authors: | Lin, F.-Y, Zhang, Y, Liu, Y.-L, Oldfield, E. | | Deposit date: | 2012-05-15 | | Release date: | 2012-06-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis.
ACS Med Chem Lett, 3, 2012
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3PDV
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