6BGV
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![BU of 6bgv by Molmil](/molmil-images/mine/6bgv) | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(piperidin-1-yl)ethoxy)methyl)-1l2-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N40) | Descriptor: | 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2017-10-29 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.592 Å) | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A. J. Med. Chem., 61, 2018
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6BH5
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![BU of 6bh5 by Molmil](/molmil-images/mine/6bh5) | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(3-(piperidin-1-yl)propoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N48) | Descriptor: | 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[3-(piperidin-1-yl)propoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2017-10-29 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.651 Å) | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A. J. Med. Chem., 61, 2018
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5XUP
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![BU of 5xup by Molmil](/molmil-images/mine/5xup) | Crystal structure of TRF1 and TERB1 | Descriptor: | Telomere repeats-binding bouquet formation protein 1, Telomeric repeat-binding factor 1 | Authors: | Long, J, Huang, C, Wu, J, Lei, M. | Deposit date: | 2017-06-24 | Release date: | 2017-11-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Telomeric TERB1-TRF1 interaction is crucial for male meiosis. Nat. Struct. Mol. Biol., 24, 2017
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6BGY
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![BU of 6bgy by Molmil](/molmil-images/mine/6bgy) | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(1-methylpyrrolidin-2-yl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound 46) | Descriptor: | 1,2-ETHANEDIOL, 2-[(S)-(2-chlorophenyl){2-[(2R)-1-methylpyrrolidin-2-yl]ethoxy}methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2017-10-29 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A. J. Med. Chem., 61, 2018
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6BGZ
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![BU of 6bgz by Molmil](/molmil-images/mine/6bgz) | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(1-methyl-1H-imidazol-2-yl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N47) | Descriptor: | 2-{(S)-(2-chlorophenyl)[2-(1-methyl-1H-imidazol-2-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, Lysine-specific demethylase 5A, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2017-10-29 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.688 Å) | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A. J. Med. Chem., 61, 2018
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6BGU
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![BU of 6bgu by Molmil](/molmil-images/mine/6bgu) | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(propoxy)methyl)-1H-pyrrolo[3,2-b]pyridine (Compound N9) | Descriptor: | 1,2-ETHANEDIOL, 2-[(R)-(2-chlorophenyl)(propoxy)methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2017-10-29 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.684 Å) | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A. J. Med. Chem., 61, 2018
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6BH2
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![BU of 6bh2 by Molmil](/molmil-images/mine/6bh2) | |
6BH1
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![BU of 6bh1 by Molmil](/molmil-images/mine/6bh1) | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR (S)-2-((2-chlorophenyl)(2-(piperidin-1-yl)ethoxy)methyl)-1l2-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N52) | Descriptor: | 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2017-10-29 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.932 Å) | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A. J. Med. Chem., 61, 2018
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4O0J
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![BU of 4o0j by Molmil](/molmil-images/mine/4o0j) | HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid | Descriptor: | (2S)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid, Integrase, SULFATE ION | Authors: | Feng, L, Kvaratskhelia, M. | Deposit date: | 2013-12-13 | Release date: | 2014-07-02 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | A New Class of Multimerization Selective Inhibitors of HIV-1 Integrase. Plos Pathog., 10, 2014
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7VAH
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![BU of 7vah by Molmil](/molmil-images/mine/7vah) | |
7E5X
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![BU of 7e5x by Molmil](/molmil-images/mine/7e5x) | |
7DVP
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![BU of 7dvp by Molmil](/molmil-images/mine/7dvp) | SARS-CoV-2 Mpro mutant (H41A) in complex with nsp4|5 peptidyl substrate | Descriptor: | 3C-like proteinase, nsp4/5 peptidyl substrate | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | Deposit date: | 2021-01-14 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 119, 2022
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7DW0
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![BU of 7dw0 by Molmil](/molmil-images/mine/7dw0) | SARS-CoV-2 Mpro mutant (H41A) in complex with nsp14|15 peptidyl substrate | Descriptor: | 3C-like proteinase, nsp14/15 peptidyl substrate | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | Deposit date: | 2021-01-15 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 119, 2022
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7DW6
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![BU of 7dw6 by Molmil](/molmil-images/mine/7dw6) | SARS-CoV-2 Mpro mutant (H41A) in complex with nsp15|16 peptidyl substrate | Descriptor: | 3C-like proteinase, nsp15/16 peptidyl substrate | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | Deposit date: | 2021-01-15 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 119, 2022
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7DVY
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![BU of 7dvy by Molmil](/molmil-images/mine/7dvy) | SARS-CoV-2 Mpro mutant (H41A) in complex with nsp9|10 peptidyl substrate | Descriptor: | 3C-like proteinase, nsp9/10 peptidyl substrate | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | Deposit date: | 2021-01-15 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 119, 2022
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7DVX
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![BU of 7dvx by Molmil](/molmil-images/mine/7dvx) | SARS-CoV-2 Mpro mutant (H41A) in complex with nsp6|7 peptidyl substrate | Descriptor: | 3C-like proteinase, nsp6/7 peptidyl substrate | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | Deposit date: | 2021-01-15 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 119, 2022
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7DVW
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![BU of 7dvw by Molmil](/molmil-images/mine/7dvw) | SARS-CoV-2 Mpro mutant (H41A) in complex with nsp5|6 peptidyl substrate | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, nsp5/6 peptidyl substrate | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | Deposit date: | 2021-01-15 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 119, 2022
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5Z6P
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![BU of 5z6p by Molmil](/molmil-images/mine/5z6p) | The crystal structure of an agarase, AgWH50C | Descriptor: | B-agarase | Authors: | Mao, X, Zhou, J, Zhang, P, Zhang, L, Zhang, J, Li, Y. | Deposit date: | 2018-01-24 | Release date: | 2019-01-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.061 Å) | Cite: | Structure-based design of agarase AgWH50C from Agarivorans gilvus WH0801 to enhance thermostability. Appl. Microbiol. Biotechnol., 103, 2019
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8HS2
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![BU of 8hs2 by Molmil](/molmil-images/mine/8hs2) | Orphan GPR20 in complex with Fab046 | Descriptor: | Light chain of Fab046, Soluble cytochrome b562,G-protein coupled receptor 20, heavy chain of Fab046 | Authors: | Lin, X, Jiang, S, Xu, F. | Deposit date: | 2022-12-16 | Release date: | 2023-03-08 | Last modified: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | The activation mechanism and antibody binding mode for orphan GPR20. Cell Discov, 9, 2023
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8HS3
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![BU of 8hs3 by Molmil](/molmil-images/mine/8hs3) | Gi bound orphan GPR20 in ligand-free state | Descriptor: | Ggama, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Lin, X, Jiang, S, Xu, F. | Deposit date: | 2022-12-16 | Release date: | 2023-03-08 | Last modified: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | The activation mechanism and antibody binding mode for orphan GPR20. Cell Discov, 9, 2023
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8HSC
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![BU of 8hsc by Molmil](/molmil-images/mine/8hsc) | Gi bound Orphan GPR20 complex with Fab046 in ligand-free state | Descriptor: | 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Lin, X, Jiang, S, Xu, F. | Deposit date: | 2022-12-19 | Release date: | 2023-03-08 | Last modified: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (3.22 Å) | Cite: | The activation mechanism and antibody binding mode for orphan GPR20. Cell Discov, 9, 2023
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7V97
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![BU of 7v97 by Molmil](/molmil-images/mine/7v97) | Arsenic-bound p53 DNA-binding domain mutant V272M | Descriptor: | ARSENIC, Cellular tumor antigen p53, ZINC ION | Authors: | Lu, M, Xing, Y.F, Wang, Z.Y, Ni, Y, Song, H.X. | Deposit date: | 2021-08-24 | Release date: | 2022-08-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Diverse rescue potencies of p53 mutations to ATO are predetermined by intrinsic mutational properties. Sci Transl Med, 15, 2023
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8HJ2
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![BU of 8hj2 by Molmil](/molmil-images/mine/8hj2) | GPR21 wt with G15 complex | Descriptor: | 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Chen, B, Lin, X, Xu, F. | Deposit date: | 2022-11-22 | Release date: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM structures of orphan GPR21 signaling complexes. Nat Commun, 14, 2023
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8HJ0
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![BU of 8hj0 by Molmil](/molmil-images/mine/8hj0) | GPR21(m5) and G15 complex | Descriptor: | 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Chen, B, Lin, X. | Deposit date: | 2022-11-22 | Release date: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (3.12 Å) | Cite: | Cryo-EM structures of orphan GPR21 signaling complexes. Nat Commun, 14, 2023
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8HIX
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![BU of 8hix by Molmil](/molmil-images/mine/8hix) | Cryo-EM structure of GPR21_m5_Gs | Descriptor: | 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Chen, B, Lin, X, Xu, F. | Deposit date: | 2022-11-22 | Release date: | 2023-03-15 | Last modified: | 2023-03-22 | Method: | ELECTRON MICROSCOPY (3.12 Å) | Cite: | Cryo-EM structures of orphan GPR21 signaling complexes. Nat Commun, 14, 2023
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