6NM6
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6NNF
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7SSM
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![BU of 7ssm by Molmil](/molmil-images/mine/7ssm) | Crystal structure of human STING R232 in complex with compound 11 | Descriptor: | 2-({[(8R)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid, Stimulator of interferon genes protein | Authors: | Sack, J.S, Critton, D.A. | Deposit date: | 2021-11-11 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Discovery of Non-Nucleotide Small-Molecule STING Agonists via Chemotype Hybridization. J.Med.Chem., 65, 2022
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1GNE
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![BU of 1gne by Molmil](/molmil-images/mine/1gne) | THE THREE-DIMENSIONAL STRUCTURE OF GLUTATHIONE S-TRANSFERASE OF SCHISTOSOMA JAPONICUM FUSED WITH A CONSERVED NEUTRALIZING EPITOPE ON GP41 OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 | Descriptor: | GLUTATHIONE, GLUTATHIONE S-TRANSFERASE | Authors: | Lim, K, Ho, J.X, Keeling, K, Gilliland, G.L, Ji, X, Ruker, F, Carter, D.C. | Deposit date: | 1994-06-16 | Release date: | 1994-11-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Three-dimensional structure of Schistosoma japonicum glutathione S-transferase fused with a six-amino acid conserved neutralizing epitope of gp41 from HIV. Protein Sci., 3, 1994
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8JT8
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![BU of 8jt8 by Molmil](/molmil-images/mine/8jt8) | Crystal structure of 5-HT2AR in complex with (R)-IHCH-7179 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(4-fluorophenyl)-4-[(7R)-2,5,11-triazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(15),9,12(16),13-tetraen-5-yl]butan-1-one, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | Authors: | Chen, Z, Fan, L, Wang, S. | Deposit date: | 2023-06-21 | Release date: | 2024-02-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Flexible scaffold-based cheminformatics approach for polypharmacological drug design. Cell, 187, 2024
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7CX4
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![BU of 7cx4 by Molmil](/molmil-images/mine/7cx4) | Cryo-EM structure of the Evatanepag-bound EP2-Gs complex | Descriptor: | 2-[3-[[(4-~{tert}-butylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid, 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: | Qu, C, Mao, C, Xiao, P, Shen, Q, Zhong, Y, Yang, F, Shen, D, Tao, X, Zhang, H, Yan, X, Zhao, R, He, J, Guan, Y, Zhang, C, Hou, G, Zhang, P, Yu, X, Guan, Y, Sun, J, Zhang, Y. | Deposit date: | 2020-09-01 | Release date: | 2021-05-05 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Ligand recognition, unconventional activation, and G protein coupling of the prostaglandin E 2 receptor EP2 subtype. Sci Adv, 7, 2021
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7CX3
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![BU of 7cx3 by Molmil](/molmil-images/mine/7cx3) | Cryo-EM structure of the Taprenepag-bound EP2-Gs complex | Descriptor: | 2-[3-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid, 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: | Qu, C, Mao, C, Xiao, P, Shen, Q, Zhong, Y, Yang, F, Shen, D, Tao, X, Zhang, H, Yan, X, Zhao, R, He, J, Guan, Y, Zhang, C, Hou, G, Zhang, P, Yu, X, Guan, Y, Sun, J, Zhang, Y. | Deposit date: | 2020-09-01 | Release date: | 2021-05-05 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Ligand recognition, unconventional activation, and G protein coupling of the prostaglandin E 2 receptor EP2 subtype. Sci Adv, 7, 2021
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7CX2
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![BU of 7cx2 by Molmil](/molmil-images/mine/7cx2) | Cryo-EM structure of the PGE2-bound EP2-Gs complex | Descriptor: | (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, 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: | Qu, C, Mao, C, Xiao, P, Shen, Q, Zhong, Y, Yang, F, Shen, D, Tao, X, Zhang, H, Yan, X, Zhao, R, He, J, Guan, Y, Zhang, C, Hou, G, Zhang, P, Yu, X, Guan, Y, Sun, J, Zhang, Y. | Deposit date: | 2020-09-01 | Release date: | 2021-05-05 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Ligand recognition, unconventional activation, and G protein coupling of the prostaglandin E 2 receptor EP2 subtype. Sci Adv, 7, 2021
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6LZZ
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![BU of 6lzz by Molmil](/molmil-images/mine/6lzz) | Crystal structure of the PDE9 catalytic domain in complex with inhibitor 4a | Descriptor: | 1-cyclopentyl-6-[[(2R)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxidanylidene-propan-2-yl]amino]-5H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | Authors: | Huang, Y.Y, Wu, Y, Luo, H.B. | Deposit date: | 2020-02-19 | Release date: | 2021-02-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.40003753 Å) | Cite: | Identification of phosphodiesterase-9 as a novel target for pulmonary arterial hypertension by using highly selective and orally bioavailable inhibitors To Be Published
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8BSK
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![BU of 8bsk by Molmil](/molmil-images/mine/8bsk) | Human GLS in complex with compound 3 | Descriptor: | Glutaminase kidney isoform, mitochondrial 65 kDa chain, N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide), ... | Authors: | Debreczeni, J.E. | Deposit date: | 2022-11-25 | Release date: | 2023-01-18 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models. J Med Chem, 62, 2019
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8BSM
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![BU of 8bsm by Molmil](/molmil-images/mine/8bsm) | Human GLS in complex with compound 18 | Descriptor: | 2-phenyl-~{N}-[5-[[(3~{R})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial 65 kDa chain, ... | Authors: | Debreczeni, J.E. | Deposit date: | 2022-11-25 | Release date: | 2023-01-18 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.782 Å) | Cite: | Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models. J Med Chem, 62, 2019
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8BSN
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![BU of 8bsn by Molmil](/molmil-images/mine/8bsn) | Human GLS in complex with compound 27 | Descriptor: | (2~{S})-2-methoxy-2-phenyl-~{N}-[5-[[(3~{R})-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial 65 kDa chain, ... | Authors: | Debreczeni, J.E. | Deposit date: | 2022-11-25 | Release date: | 2023-01-18 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.494 Å) | Cite: | Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models. J Med Chem, 62, 2019
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7YI3
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![BU of 7yi3 by Molmil](/molmil-images/mine/7yi3) | Cryo-EM structure of Rpd3S in close-state Rpd3S-NCP complex | Descriptor: | Chromatin modification-related protein EAF3, Histone deacetylase RPD3, Transcriptional regulatory protein RCO1, ... | Authors: | Li, H.T, Yan, C.Y, Guan, H.P, Wang, P. | Deposit date: | 2022-07-14 | Release date: | 2023-06-14 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S. Nature, 620, 2023
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7YI2
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![BU of 7yi2 by Molmil](/molmil-images/mine/7yi2) | Cryo-EM structure of Rpd3S in loose-state Rpd3S-NCP complex | Descriptor: | Chromatin modification-related protein EAF3, Histone deacetylase RPD3, Transcriptional regulatory protein RCO1, ... | Authors: | Li, H.T, Yan, C.Y, Guan, H.P, Wang, P. | Deposit date: | 2022-07-14 | Release date: | 2023-06-14 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S. Nature, 620, 2023
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7YI1
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![BU of 7yi1 by Molmil](/molmil-images/mine/7yi1) | Cryo-EM structure of Eaf3 CHD bound to H3K36me3 nucleosome | Descriptor: | Chromatin modification-related protein EAF3, Histone H2A, Histone H2B 1.1, ... | Authors: | Li, H.T, Yan, C.Y, Guan, H.P, Wang, P. | Deposit date: | 2022-07-14 | Release date: | 2023-06-14 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S. Nature, 620, 2023
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7YI0
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![BU of 7yi0 by Molmil](/molmil-images/mine/7yi0) | Cryo-EM structure of Rpd3S complex | Descriptor: | Chromatin modification-related protein EAF3, Histone deacetylase RPD3, Transcriptional regulatory protein RCO1, ... | Authors: | Li, H.T, Yan, C.Y, Guan, H.P, Wang, P. | Deposit date: | 2022-07-14 | Release date: | 2023-06-14 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S. Nature, 620, 2023
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6OKO
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7YI4
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![BU of 7yi4 by Molmil](/molmil-images/mine/7yi4) | Cryo-EM structure of Rpd3S complex bound to H3K36me3 nucleosome in close state | Descriptor: | Chromatin modification-related protein EAF3, Histone H2A, Histone H2B 1.1, ... | Authors: | Li, H.T, Yan, C.Y, Guan, H.P, Wang, P. | Deposit date: | 2022-07-14 | Release date: | 2023-06-14 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (3.96 Å) | Cite: | Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S. Nature, 620, 2023
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7YI5
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![BU of 7yi5 by Molmil](/molmil-images/mine/7yi5) | Cryo-EM structure of Rpd3S complex bound to H3K36me3 nucleosome in loose state | Descriptor: | Chromatin modification-related protein EAF3, Histone H2A, Histone H2B 1.1, ... | Authors: | Li, H.T, Yan, C.Y, Guan, H.P, Wang, P. | Deposit date: | 2022-07-14 | Release date: | 2023-06-14 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (3.96 Å) | Cite: | Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S. Nature, 620, 2023
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7MJU
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![BU of 7mju by Molmil](/molmil-images/mine/7mju) | |
6VA3
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![BU of 6va3 by Molmil](/molmil-images/mine/6va3) | Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element Bound to MQC | Descriptor: | 4-[(3-methoxyphenyl)amino]-2-methylquinoline-6-carboximidamide, RNA (5'-R(*CP*AP*CP*AP*CP*GP*UP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*GP*CP*AP*GP*UP*GP*UP*G)-3') | Authors: | Chen, J.L, Fountain, M.A, Disney, M.D. | Deposit date: | 2019-12-16 | Release date: | 2020-05-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing. J.Am.Chem.Soc., 142, 2020
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6VA2
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![BU of 6va2 by Molmil](/molmil-images/mine/6va2) | Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element Bound to MH5 | Descriptor: | (2E,2'E)-2,2'-{dibenzo[b,d]thiene-2,8-diyldi[(1E)eth-1-yl-1-ylidene]}bis(N-methylhydrazine-1-carboximidamide), RNA (5'-R(*CP*AP*CP*AP*CP*GP*UP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*GP*CP*AP*GP*UP*GP*UP*G)-3') | Authors: | Chen, J.L, Fountain, M.A, Disney, M.D. | Deposit date: | 2019-12-16 | Release date: | 2020-05-20 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing. J.Am.Chem.Soc., 142, 2020
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6VA1
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![BU of 6va1 by Molmil](/molmil-images/mine/6va1) | Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element | Descriptor: | RNA (5'-R(*CP*AP*CP*AP*CP*GP*UP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*GP*CP*AP*GP*UP*GP*UP*G)-3') | Authors: | Chen, J.L, Fountain, M.A, Disney, M.D. | Deposit date: | 2019-12-16 | Release date: | 2020-05-20 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing. J.Am.Chem.Soc., 142, 2020
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6VA4
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![BU of 6va4 by Molmil](/molmil-images/mine/6va4) | Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element Bound to MIP | Descriptor: | N-[3-(8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propyl]-N-methylcyclohexanaminium, RNA (5'-R(*CP*AP*CP*AP*CP*GP*UP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*GP*CP*AP*GP*UP*GP*UP*G)-3') | Authors: | Chen, J.L, Fountain, M.A, Disney, M.D. | Deposit date: | 2019-12-16 | Release date: | 2020-05-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing. J.Am.Chem.Soc., 142, 2020
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7FJM
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![BU of 7fjm by Molmil](/molmil-images/mine/7fjm) | Cryo EM structure of lysosomal ATPase | Descriptor: | Polyamine-transporting ATPase 13A2 | Authors: | Zhang, S.S. | Deposit date: | 2021-08-04 | Release date: | 2023-03-08 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structures and transport mechanism of human P5B type ATPase ATP13A2. Cell Discov, 7, 2021
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