8XAB
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4EF4
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![BU of 4ef4 by Molmil](/molmil-images/mine/4ef4) | Crystal structure of STING CTD complex with c-di-GMP | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, Transmembrane protein 173 | Authors: | Ouyang, S, Ru, H, Shaw, N, Jiang, Y, Niu, F, Zhu, Y, Qiu, W, Li, Y, Liu, Z.-J. | Deposit date: | 2012-03-29 | Release date: | 2012-05-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.147 Å) | Cite: | Structural analysis of the STING adaptor protein reveals a hydrophobic dimer interface and mode of cyclic di-GMP binding Immunity, 36, 2012
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5GMR
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5H19
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![BU of 5h19 by Molmil](/molmil-images/mine/5h19) | EED in complex with PRC2 allosteric inhibitor EED162 | Descriptor: | 5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | Deposit date: | 2016-10-08 | Release date: | 2017-01-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED PLoS ONE, 12, 2017
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4EF5
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![BU of 4ef5 by Molmil](/molmil-images/mine/4ef5) | Crystal structure of STING CTD | Descriptor: | Transmembrane protein 173 | Authors: | Ouyang, S, Ru, H, Shaw, N, Jiang, Y, Niu, F, Zhu, Y, Qiu, W, Li, Y, Liu, Z.-J. | Deposit date: | 2012-03-29 | Release date: | 2012-05-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural analysis of the STING adaptor protein reveals a hydrophobic dimer interface and mode of cyclic di-GMP binding Immunity, 36, 2012
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4REE
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![BU of 4ree by Molmil](/molmil-images/mine/4ree) | Crystal Structure of TR3 LBD in complex with Molecule 6 | Descriptor: | 1-(2,3,4-trihydroxyphenyl)nonan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | Authors: | Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Yuan, W, Hou, P.P, Wu, Q, Lin, T.W. | Deposit date: | 2014-09-22 | Release date: | 2015-09-09 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity Chem.Biol., 22, 2015
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4REF
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![BU of 4ref by Molmil](/molmil-images/mine/4ref) | Crystal Structure of TR3 LBD_L449W in complex with Molecule 2 | Descriptor: | 1-(3,4,5-trihydroxyphenyl)hexan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | Authors: | Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Yuan, W, Hou, P.P, Wu, Q, Lin, T.W. | Deposit date: | 2014-09-22 | Release date: | 2015-09-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity Chem.Biol., 22, 2015
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7C8V
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![BU of 7c8v by Molmil](/molmil-images/mine/7c8v) | Structure of sybody SR4 in complex with the SARS-CoV-2 S Receptor Binding domain (RBD) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ... | Authors: | Li, T, Yao, H, Cai, H, Qin, W, Li, D. | Deposit date: | 2020-06-03 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection. Nat Commun, 12, 2021
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7C8W
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![BU of 7c8w by Molmil](/molmil-images/mine/7c8w) | Structure of sybody MR17 in complex with the SARS-CoV-2 S receptor-binding domain (RBD) | Descriptor: | GLYCEROL, Spike protein S1, Synthetic nanobody MR17, ... | Authors: | Li, T, Cai, H, Yao, H, Qin, W, Li, D. | Deposit date: | 2020-06-03 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection. Nat Commun, 12, 2021
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4JH0
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![BU of 4jh0 by Molmil](/molmil-images/mine/4jh0) | Crystal structure of dipeptidyl-peptidase 4 (CD26, adenosine deaminase complexing protein 2) (DPP-IV-WT) complex with bms-767778 AKA 2-(3-(aminomethyl)-4-(2,4- dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6h-pyrrolo[3,4- b]pyridin-6-yl)-n,n-dimethylacetamide | Descriptor: | 2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide, Dipeptidyl peptidase 4 | Authors: | Klei, H.E. | Deposit date: | 2013-03-04 | Release date: | 2013-09-04 | Last modified: | 2013-10-09 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Optimization of Activity, Selectivity, and Liability Profiles in 5-Oxopyrrolopyridine DPP4 Inhibitors Leading to Clinical Candidate (Sa)-2-(3-(Aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-N,N-dimethylacetamide (BMS-767778). J.Med.Chem., 56, 2013
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7CAN
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![BU of 7can by Molmil](/molmil-images/mine/7can) | Structure of sybody MR17-K99Y in complex with the SARS-CoV-2 S Receptor-binding domain (RBD) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ... | Authors: | Li, T, Yao, H, Cai, H, Qin, W, Li, D. | Deposit date: | 2020-06-09 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection. Nat Commun, 12, 2021
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5GMS
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![BU of 5gms by Molmil](/molmil-images/mine/5gms) | Crystal structure of the mutant S202W/I203F of the esterase E40 | Descriptor: | Esterase | Authors: | Zhang, Y.-Z, Li, P.-Y. | Deposit date: | 2016-07-15 | Release date: | 2017-07-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Mechanistic Insights into the Improvement of the Halotolerance of a Marine Microbial Esterase by Increasing Intra- and Interdomain Hydrophobic Interactions. Appl. Environ. Microbiol., 83, 2017
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8HK7
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![BU of 8hk7 by Molmil](/molmil-images/mine/8hk7) | Structure of PKD2-F604P (Polycystin-2, TRPP2) with ML-SA1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethyl}-1H-isoindole-1,3(2H)-dione, CALCIUM ION, ... | Authors: | Chen, M.Y, Su, Q, Wang, Z.F, Yu, Y. | Deposit date: | 2022-11-25 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Molecular and structural basis of the dual regulation of the polycystin-2 ion channel by small-molecule ligands. Proc.Natl.Acad.Sci.USA, 121, 2024
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4OAS
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![BU of 4oas by Molmil](/molmil-images/mine/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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7MLM
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![BU of 7mlm by Molmil](/molmil-images/mine/7mlm) | Crystal structure of mouse TLR4/MD-2 in complex with sulfatides | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Su, L, Beutler, B. | Deposit date: | 2021-04-28 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.104 Å) | Cite: | Sulfatides are endogenous ligands for the TLR4-MD-2 complex. Proc.Natl.Acad.Sci.USA, 118, 2021
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4Z8M
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![BU of 4z8m by Molmil](/molmil-images/mine/4z8m) | Crystal structure of the MAVS-TRAF6 complex | Descriptor: | Peptide from Mitochondrial antiviral-signaling protein, TNF receptor-associated factor 6 | Authors: | Shi, Z.B, Zhou, Z. | Deposit date: | 2015-04-09 | Release date: | 2015-09-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural Insights into Mitochondrial Antiviral Signaling Protein (MAVS)-Tumor Necrosis Factor Receptor-associated Factor 6 (TRAF6) Signaling J.Biol.Chem., 290, 2015
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3TH8
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![BU of 3th8 by Molmil](/molmil-images/mine/3th8) | Structure of E. coli undecaprenyl diphosphate synthase complexed with BPH-1063 | Descriptor: | (2Z)-4-({3-[3-(hexyloxy)phenyl]propyl}amino)-2-hydroxy-4-oxobut-2-enoic acid, Undecaprenyl pyrophosphate synthase | Authors: | Cao, R, Zhu, W, Zhang, Y, Oldfield, E. | Deposit date: | 2011-08-18 | Release date: | 2012-07-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.114 Å) | Cite: | HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis. ACS Med Chem Lett, 3, 2012
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4N6J
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![BU of 4n6j by Molmil](/molmil-images/mine/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: | 2019-12-25 | 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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4NLD
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![BU of 4nld by Molmil](/molmil-images/mine/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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8XV2
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![BU of 8xv2 by Molmil](/molmil-images/mine/8xv2) | Thiamine-bound human SLC19A3 | Descriptor: | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, Soluble cytochrome b562,Thiamine transporter 2 | Authors: | Dang, Y, Wang, G.P, Zhang, Z. | Deposit date: | 2024-01-14 | Release date: | 2024-03-27 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Substrate and drug recognition mechanisms of SLC19A3. Cell Res., 34, 2024
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8XV5
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![BU of 8xv5 by Molmil](/molmil-images/mine/8xv5) | Pyridoxamine-bound human SLC19A3 | Descriptor: | 4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-2-METHYLPYRIDIN-3-OL, Soluble cytochrome b562,Thiamine transporter 2 | Authors: | Dang, Y, Wang, G.P, Zhang, Z. | Deposit date: | 2024-01-14 | Release date: | 2024-03-27 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Substrate and drug recognition mechanisms of SLC19A3. Cell Res., 34, 2024
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7E39
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![BU of 7e39 by Molmil](/molmil-images/mine/7e39) | SARS-CoV-2 spike in complex with the Ab4 neutralizing antibody (State 3) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of Ab4, Light Chain of Ab4, ... | Authors: | Liu, C. | Deposit date: | 2021-02-08 | Release date: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Three epitope-distinct human antibodies from RenMab mice neutralize SARS-CoV-2 and cooperatively minimize the escape of mutants. Cell Discov, 7, 2021
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7E3B
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7E3C
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7EG4
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![BU of 7eg4 by Molmil](/molmil-images/mine/7eg4) | Cryo-EM structure of nauclefine-induced PDE3A-SLFN12 complex | Descriptor: | MAGNESIUM ION, Parvine, Schlafen family member 12, ... | Authors: | Liu, N, Chen, J, Wang, X.D, Wang, H.W. | Deposit date: | 2021-03-24 | Release date: | 2021-09-29 | Last modified: | 2022-05-25 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure of PDE3A-SLFN12 complex and structure-based design for a potent apoptosis inducer of tumor cells. Nat Commun, 12, 2021
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