5OR2
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![BU of 5or2 by Molmil](/molmil-images/mine/5or2) | Crystal structures of PYR1/HAB1 in complex with synthetic analogues of Abscisic Acid | Descriptor: | (2~{Z},4~{E})-3-cyclopropyl-5-[(1~{S})-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]penta-2,4-dienoic acid, Abscisic acid receptor PYR1, MANGANESE (II) ION, ... | Authors: | Freigang, J. | Deposit date: | 2017-08-15 | Release date: | 2018-06-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insights into the in Vitro and in Vivo SAR of Abscisic Acid - Exploring Unprecedented Variations of the Side Chain via Cross-Coupling-Mediated Syntheses Eur.J.Org.Chem., 2018
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5ENE
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![BU of 5ene by Molmil](/molmil-images/mine/5ene) | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with 5-Amino-2-benzyl-1,3-oxazole-4-carbonitrile (SGC - Diamond I04-1 fragment screening) | Descriptor: | 5-azanyl-2-(phenylmethyl)-1,3-oxazole-4-carbonitrile, PH-interacting protein | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Amin, J, Szykowska, A, Burgess-Brown, N, Spencer, J, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-09 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
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5DDA
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![BU of 5dda by Molmil](/molmil-images/mine/5dda) | Menin in complex with MI-333 | Descriptor: | 1,2-ETHANEDIOL, 4-{4-[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine, DIMETHYL SULFOXIDE, ... | Authors: | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | Deposit date: | 2015-08-24 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes. J.Med.Chem., 58, 2015
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5DDJ
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![BU of 5ddj by Molmil](/molmil-images/mine/5ddj) | Crystal structure of recombinant foot-and-mouth-disease virus O1M-S2093Y empty capsid | Descriptor: | Foot and mouth disease virus, VP1, VP2, ... | Authors: | Kotecha, A, Seago, J, Scott, K, Burman, A, Loureiro, S, Ren, J, Porta, C, Ginn, H.M, Jackson, T, Perez-Martin, E, Siebert, C.A, Paul, G, Huiskonen, J.T, Jones, I.M, Esnouf, R.M, Fry, E.E, Maree, F.F, Charleston, B, Stuart, D.I. | Deposit date: | 2015-08-25 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structure-based energetics of protein interfaces guides foot-and-mouth disease virus vaccine design. Nat.Struct.Mol.Biol., 22, 2015
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8WD6
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![BU of 8wd6 by Molmil](/molmil-images/mine/8wd6) | Cryo-EM structure of the ABCG25 | Descriptor: | ABC transporter G family member 25 | Authors: | Xin, J, Yan, K.G. | Deposit date: | 2023-09-14 | Release date: | 2023-09-27 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (2.87 Å) | Cite: | Structural insights into AtABCG25, an angiosperm-specific abscisic acid exporter. Plant Commun., 5, 2024
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8WF7
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![BU of 8wf7 by Molmil](/molmil-images/mine/8wf7) | The Crystal Structure of integrase from Biortus | Descriptor: | ACETATE ION, Integrase, SULFATE ION | Authors: | Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J. | Deposit date: | 2023-09-19 | Release date: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The Crystal Structure of integrase from Biortus To Be Published
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3EP0
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![BU of 3ep0 by Molmil](/molmil-images/mine/3ep0) | Methyltransferase domain of human PR domain-containing protein 12 | Descriptor: | PR domain zinc finger protein 12 | Authors: | Amaya, M.F, Zeng, H, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Botchkarev, A, Min, J, Plotnikov, A.N, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-09-29 | Release date: | 2008-11-04 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The crystal structure of methyltransferase domain of human PR
Domain-containing protein 12. To be Published
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8X2S
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![BU of 8x2s by Molmil](/molmil-images/mine/8x2s) | The Crystal Structure of BPGM from Biortus | Descriptor: | 1,2-ETHANEDIOL, Bisphosphoglycerate mutase | Authors: | Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J. | Deposit date: | 2023-11-10 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Crystal Structure of BPGM from Biortus To Be Published
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7ZVI
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![BU of 7zvi by Molmil](/molmil-images/mine/7zvi) | Non-canonical Staphylococcus aureus pathogenicity island repression | Descriptor: | Orf22, Sri | Authors: | Miguel-Romero, L, Alqasmi, M, Bacarizo, J, Marina, A, Penades, J.R. | Deposit date: | 2022-05-16 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.973 Å) | Cite: | Non-canonical Staphylococcus aureus pathogenicity island repression. Nucleic Acids Res., 50, 2022
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8W78
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![BU of 8w78 by Molmil](/molmil-images/mine/8w78) | Structure of Drosophila melanogaster L-2-hydroxyglutarate dehydrogenase in complex with FAD and 2-oxoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, DODECYL-BETA-D-MALTOSIDE, FI05204p, ... | Authors: | Yang, J, Chen, X, Jin, S, Ding, J. | Deposit date: | 2023-08-30 | Release date: | 2023-11-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Structure and biochemical characterization of l-2-hydroxyglutarate dehydrogenase and its role in the pathogenesis of l-2-hydroxyglutaric aciduria. J.Biol.Chem., 300, 2023
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8W75
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![BU of 8w75 by Molmil](/molmil-images/mine/8w75) | Structure of Drosophila melanogaster L-2-hydroxyglutarate dehydrogenase | Descriptor: | DODECYL-BETA-D-MALTOSIDE, FI05204p, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Yang, J, Chen, X, Jin, S, Ding, J. | Deposit date: | 2023-08-30 | Release date: | 2023-11-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure and biochemical characterization of l-2-hydroxyglutarate dehydrogenase and its role in the pathogenesis of l-2-hydroxyglutaric aciduria. J.Biol.Chem., 300, 2023
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5DDF
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![BU of 5ddf by Molmil](/molmil-images/mine/5ddf) | Menin in complex with MI-273 | Descriptor: | 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(pentafluoroethyl)thieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | Deposit date: | 2015-08-24 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes. J.Med.Chem., 58, 2015
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5DDS
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![BU of 5dds by Molmil](/molmil-images/mine/5dds) | Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with PLP | Descriptor: | ACETIC ACID, CrmG, GLYCEROL, ... | Authors: | Xu, J, Feng, Z, Liu, J. | Deposit date: | 2015-08-25 | Release date: | 2016-08-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Biochemical and Structural Insights into the Aminotransferase CrmG in Caerulomycin Biosynthesis Acs Chem.Biol., 11, 2016
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8W7F
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![BU of 8w7f by Molmil](/molmil-images/mine/8w7f) | Structure of Drosophila melanogaster L-2-hydroxyglutarate dehydrogenase bound with FAD and a sulfate ion | Descriptor: | DODECYL-BETA-D-MALTOSIDE, FI05204p, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Yang, J, Chen, X, Jin, S, Ding, J. | Deposit date: | 2023-08-30 | Release date: | 2023-11-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.299 Å) | Cite: | Structure and biochemical characterization of l-2-hydroxyglutarate dehydrogenase and its role in the pathogenesis of l-2-hydroxyglutaric aciduria. J.Biol.Chem., 300, 2023
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7ZGO
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![BU of 7zgo by Molmil](/molmil-images/mine/7zgo) | Cryo-EM structure of human NKCC1 (TM domain) | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CHLORIDE ION, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Nissen, P, Fenton, R, Neumann, C, Lindtoft Rosenbaek, L, Kock Flygaard, R, Habeck, M, Lykkegaard Karlsen, J, Wang, Y, Lindorff-Larsen, K, Gad, H, Hartmann, R, Lyons, J. | Deposit date: | 2022-04-04 | Release date: | 2022-10-05 | Last modified: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (2.55 Å) | Cite: | Cryo-EM structure of the human NKCC1 transporter reveals mechanisms of ion coupling and specificity. Embo J., 41, 2022
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8WF4
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![BU of 8wf4 by Molmil](/molmil-images/mine/8wf4) | The Crystal Structure of RSK1 from Biortus. | Descriptor: | 1,2-ETHANEDIOL, Ribosomal protein S6 kinase alpha-1 | Authors: | Wang, F, Cheng, W, Lv, Z, Qi, J, Li, J. | Deposit date: | 2023-09-19 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | The Crystal Structure of RSK1 from Biortus. To Be Published
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8WFY
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![BU of 8wfy by Molmil](/molmil-images/mine/8wfy) | The Crystal Structure of SHP2 from Biortus. | Descriptor: | 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J. | Deposit date: | 2023-09-20 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Crystal Structure of SHP2 from Biortus. To Be Published
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5DID
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![BU of 5did by Molmil](/molmil-images/mine/5did) | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a difluoro-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-5-(2,3-difluoro-4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol | Descriptor: | (1S,3aR,5S,7aS)-5-(2,3-difluoro-4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-08-31 | Release date: | 2016-05-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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8A2K
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![BU of 8a2k by Molmil](/molmil-images/mine/8a2k) | human STING in complex with 2'-3'-cyclic-GMP-7-deaza(4-[(2-naphthyloxy)methyl]phenyl)-AMP | Descriptor: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-[4-(naphthalen-1-yloxymethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one, Stimulator of interferon genes protein | Authors: | Vavrina, Z, Brynda, J, Rezacova, P. | Deposit date: | 2022-06-03 | Release date: | 2022-10-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Design, Synthesis, and Biochemical and Biological Evaluation of Novel 7-Deazapurine Cyclic Dinucleotide Analogues as STING Receptor Agonists. J.Med.Chem., 65, 2022
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8A2H
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![BU of 8a2h by Molmil](/molmil-images/mine/8a2h) | human STING in complex with 2',3'-cyclic-GMP-7-deazaphenyl-AMP | Descriptor: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-(4-azanyl-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, Stimulator of interferon genes protein | Authors: | Smola, M, Vavrina, Z, Boura, E, Brynda, J. | Deposit date: | 2022-06-03 | Release date: | 2022-10-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Design, Synthesis, and Biochemical and Biological Evaluation of Novel 7-Deazapurine Cyclic Dinucleotide Analogues as STING Receptor Agonists. J.Med.Chem., 65, 2022
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5DQT
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![BU of 5dqt by Molmil](/molmil-images/mine/5dqt) | Crystal Structure of Cas-DNA-22 complex | Descriptor: | CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (33-MER), ... | Authors: | Wang, J, Li, J, Zhao, H, Sheng, G, Wang, M, Yin, M, Wang, Y. | Deposit date: | 2015-09-15 | Release date: | 2015-11-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural and Mechanistic Basis of PAM-Dependent Spacer Acquisition in CRISPR-Cas Systems. Cell, 163, 2015
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8A2J
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![BU of 8a2j by Molmil](/molmil-images/mine/8a2j) | human STING in complex with 2'-3'-cyclic-GMP-7-deaza(4-biphenylyl)-AMP | Descriptor: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, Stimulator of interferon genes protein | Authors: | Vavrina, Z, Brynda, J, Rezacova, P. | Deposit date: | 2022-06-03 | Release date: | 2022-10-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Design, Synthesis, and Biochemical and Biological Evaluation of Novel 7-Deazapurine Cyclic Dinucleotide Analogues as STING Receptor Agonists. J.Med.Chem., 65, 2022
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5DUH
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![BU of 5duh by Molmil](/molmil-images/mine/5duh) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Sulfoxide-bridged Oxabicyclic Heptene Sulfonate (SOBHS)-3 analog phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-3-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide | Descriptor: | Estrogen receptor, Nuclear receptor coactivator 2, phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-3-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-18 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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8A2I
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![BU of 8a2i by Molmil](/molmil-images/mine/8a2i) | human STING in complex with 2'-3'-cyclic-GMP-7-deaza(4-(2-naphthyl)phenyl)-AMP | Descriptor: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-naphthalen-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one, Stimulator of interferon genes protein | Authors: | Vavrina, Z, Brynda, J, Rezacova, P. | Deposit date: | 2022-06-03 | Release date: | 2022-10-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Design, Synthesis, and Biochemical and Biological Evaluation of Novel 7-Deazapurine Cyclic Dinucleotide Analogues as STING Receptor Agonists. J.Med.Chem., 65, 2022
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5DUG
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![BU of 5dug by Molmil](/molmil-images/mine/5dug) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Sulfoxide-bridged Oxabicyclic Heptene Sulfonate (SOBHS)-2 analog phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide | Descriptor: | Estrogen receptor, Nuclear receptor coactivator 2, phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-18 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.252 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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