3N3T
| Crystal structure of putative diguanylate cyclase/phosphodiesterase complex with cyclic 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), CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Chang, C, Xu, X, Cui, H, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-05-20 | Release date: | 2010-06-16 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural insight into the mechanism of c-di-GMP hydrolysis by EAL domain phosphodiesterases. J.Mol.Biol., 402, 2010
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6GD7
| Cytochrome c in complex with Sulfonato-calix[8]arene, H3 form with PEG | Descriptor: | Cytochrome c iso-1, GLYCEROL, HEME C, ... | Authors: | Rennie, M.L, Fox, G.C, Crowley, P.B. | Deposit date: | 2018-04-23 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Auto-regulated Protein Assembly on a Supramolecular Scaffold. Angew. Chem. Int. Ed. Engl., 57, 2018
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6GD9
| Cytochrome c in complex with Sulfonato-calix[8]arene, P43212 form | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cytochrome c iso-1, HEME C, ... | Authors: | Rennie, M.L, Fox, G.C, Crowley, P.B. | Deposit date: | 2018-04-23 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Auto-regulated Protein Assembly on a Supramolecular Scaffold. Angew. Chem. Int. Ed. Engl., 57, 2018
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6GD6
| Cytochrome c in complex with Sulfonato-calix[8]arene, H3 form with ammonium sulfate | Descriptor: | Cytochrome c iso-1, HEME C, SULFATE ION, ... | Authors: | Rennie, M.L, Fox, G.C, Crowley, P.B. | Deposit date: | 2018-04-23 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Auto-regulated Protein Assembly on a Supramolecular Scaffold. Angew. Chem. Int. Ed. Engl., 57, 2018
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7JNT
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7UJ6
| Outer Surface Protein C Type K | Descriptor: | Outer surface protein C | Authors: | Rudolph, M.J, Mantis, N. | Deposit date: | 2022-03-30 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.951 Å) | Cite: | Structural Elucidation of a Protective B Cell Epitope on Outer Surface Protein C (OspC) of the Lyme Disease Spirochete, Borreliella burgdorferi. Mbio, 14, 2023
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5KYJ
| Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core | Descriptor: | (6~{R})-5-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole, Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta | Authors: | Chen, G, McKeever, B.M. | Deposit date: | 2016-07-21 | Release date: | 2016-09-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core. Bioorg.Med.Chem.Lett., 26, 2016
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7LRG
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1CSY
| SYK TYROSINE KINASE C-TERMINAL SH2 DOMAIN COMPLEXED WITH A PHOSPHOPEPTIDEFROM THE GAMMA CHAIN OF THE HIGH AFFINITY IMMUNOGLOBIN G RECEPTOR, NMR | Descriptor: | ACETYL-THR-PTR-GLU-THR-LEU-NH2, SYK PROTEIN TYROSINE KINASE | Authors: | Narula, S.S, Yuan, R.W, Adams, S.E, Green, O.M, Green, J, Phillips, T.B, Zydowsky, L.D, Botfield, M.C, Hatada, M.H, Laird, E.R, Zoller, M.J, Karas, J.L, Dalgarno, D.C. | Deposit date: | 1995-10-03 | Release date: | 1996-11-08 | Last modified: | 2024-06-05 | Method: | SOLUTION NMR | Cite: | Solution structure of the C-terminal SH2 domain of the human tyrosine kinase Syk complexed with a phosphotyrosine pentapeptide. Structure, 3, 1995
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5KYA
| Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core | Descriptor: | Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta, [2-[(6~{R})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol | Authors: | Chen, G, McKeever, B.M. | Deposit date: | 2016-07-21 | Release date: | 2016-09-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.598 Å) | Cite: | Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core. Bioorg.Med.Chem.Lett., 26, 2016
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5KTF
| Structure of the C-terminal transmembrane domain of scavenger receptor BI (SR-BI) | Descriptor: | Scavenger receptor class B member 1 | Authors: | Chadwick, A.C, Peterson, F.C, Volkman, B.F, Sahoo, D. | Deposit date: | 2016-07-11 | Release date: | 2017-03-08 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR Structure of the C-Terminal Transmembrane Domain of the HDL Receptor, SR-BI, and a Functionally Relevant Leucine Zipper Motif. Structure, 25, 2017
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2XWY
| Structure of MK-3281, a Potent Non-Nucleoside Finger-Loop Inhibitor, in complex with the Hepatitis C Virus NS5B Polymerase | Descriptor: | (7R)-14-cyclohexyl-7-{[2-(dimethylamino)ethyl](methyl)amino}-7,8-dihydro-6H-indolo[1,2-e][1,5]benzoxazocine-11-carboxylic acid, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE | Authors: | Di Marco, S, Baiocco, P. | Deposit date: | 2010-11-06 | Release date: | 2010-12-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Discovery of (7R)-14-Cyclohexyl-7-{[2-(Dimethylamino)Ethyl] (Methyl)Amino}-7,8-Dihydro-6H-Indolo[1,2-E][1,5] Benzoxazocine -11-Carboxylic Acid (Mk-3281), a Potent and Orally Bioavailable Finger-Loop Inhibitor of the Hepatitis C Virus Ns5B Polymerase J.Med.Chem., 54, 2011
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5TOU
| STRUCTURE OF C-PHYCOCYANIN FROM ARCTIC PSEUDANABAENA SP. LW0831 | Descriptor: | PHYCOCYANOBILIN, Phycocyanin alpha-1 subunit, Phycocyanin beta-1 subunit | Authors: | Wang, Q.M, Li, C.Y, Su, H.N, Zhang, Y.Z, Xie, B.B. | Deposit date: | 2016-10-18 | Release date: | 2017-03-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural insights into the cold adaptation of the photosynthetic pigment-protein C-phycocyanin from an Arctic cyanobacterium Biochim. Biophys. Acta, 1858, 2017
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5TZG
| Structure of the BldD CTD(D116A)-(c-di-GMP)2, form 2 | 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), DNA-binding protein, ZINC ION | Authors: | Schumacher, M.A. | Deposit date: | 2016-11-21 | Release date: | 2017-04-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Streptomyces master regulator BldD binds c-di-GMP sequentially to create a functional BldD2-(c-di-GMP)4 complex. Nucleic Acids Res., 45, 2017
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5TZD
| Structure of the WT S. venezulae BldD-(CTD-c-di-GMP)2 assembly intermediate | 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), DNA-binding protein | Authors: | Schumacher, M. | Deposit date: | 2016-11-21 | Release date: | 2017-04-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.749 Å) | Cite: | The Streptomyces master regulator BldD binds c-di-GMP sequentially to create a functional BldD2-(c-di-GMP)4 complex. Nucleic Acids Res., 45, 2017
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6FM6
| Crystal structure of the class C beta-lactamase TRU-1 from Aeromonas enteropelogenes | Descriptor: | Beta-lactamase, SULFATE ION, TRIETHYLENE GLYCOL | Authors: | Pozzi, C, De Luca, F, Di Pisa, F, Benvenuti, M, Docquier, J.D, Mangani, S. | Deposit date: | 2018-01-30 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Atomic-Resolution Structure of a Class C beta-Lactamase and Its Complex with Avibactam. ChemMedChem, 13, 2018
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4ZMM
| GGDEF domain of Dcsbis complexed 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), diguanylate cyclase | Authors: | Chen, Y, Liu, C, Liu, S, Chi, K, Gu, L. | Deposit date: | 2015-05-04 | Release date: | 2016-05-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.503 Å) | Cite: | Crystal structure of Dcsbis GGDEF domain complexed with c-di-GMP To Be Published
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7WMQ
| Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13157 | Descriptor: | 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, FORMIC ACID, GLYCEROL, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-16 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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6THL
| Crystal structure of the complex between RTT106 and BCD1 | Descriptor: | Box C/D snoRNA protein 1, Rtt106p | Authors: | Charron, C, Bragantini, B, Manival, X, Charpentier, B. | Deposit date: | 2019-11-20 | Release date: | 2020-12-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The box C/D snoRNP assembly factor Bcd1 interacts with the histone chaperone Rtt106 and controls its transcription dependent activity. Nat Commun, 12, 2021
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4ZO5
| PDE10 complexed with 4-isopropoxy-2-(2-(3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)ethyl)isoindoline-1,3-dione | Descriptor: | 2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-4-(propan-2-yloxy)-1H-isoindole-1,3(2H)-dione, 3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione, MAGNESIUM ION, ... | Authors: | Yan, Y. | Deposit date: | 2015-05-06 | Release date: | 2015-08-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of [(11)C]MK-8193 as a PET tracer to measure target engagement of phosphodiesterase 10A (PDE10A) inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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6BQK
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1CK1
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2VIF
| Crystal structure of SOCS6 SH2 domain in complex with a c-KIT phosphopeptide | Descriptor: | 1,2-ETHANEDIOL, MAST/STEM CELL GROWTH FACTOR RECEPTOR, SUPPRESSOR OF CYTOKINE SIGNALLING 6 | Authors: | Bullock, A, Pike, A.C.W, Savitsky, P, Keates, T, Pilka, E.S, von Delft, F, Edwards, A, Weigelt, J, Arrowsmith, C.H, Knapp, S. | Deposit date: | 2007-11-30 | Release date: | 2007-12-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural Basis for C-Kit Inhibition by the Suppressor of Cytokine Signaling 6 (Socs6) Ubiquitin Ligase. J.Biol.Chem., 286, 2011
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5W4S
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100D
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