7W4Y
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![BU of 7w4y by Molmil](/molmil-images/mine/7w4y) | Crystal structure of PDE4D catalytic domain complexed with 33a | Descriptor: | (2R,4S)-6-ethyl-2-(2-hydroxyethyl)-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Huang, Y.-Y, Luo, H.-B. | Deposit date: | 2021-11-29 | Release date: | 2022-03-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.10002947 Å) | Cite: | Discovery and Structural Optimization of Toddacoumalone Derivatives as Novel PDE4 Inhibitors for the Topical Treatment of Psoriasis. J.Med.Chem., 65, 2022
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7W4X
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![BU of 7w4x by Molmil](/molmil-images/mine/7w4x) | Crystal structure of PDE4D catalytic domain complexed with 17 | Descriptor: | (2R,4S)-2-(2-hydroxyethyl)-2,6-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Huang, Y.-Y, Luo, H.-B. | Deposit date: | 2021-11-29 | Release date: | 2022-03-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.20007324 Å) | Cite: | Discovery and Structural Optimization of Toddacoumalone Derivatives as Novel PDE4 Inhibitors for the Topical Treatment of Psoriasis. J.Med.Chem., 65, 2022
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6JDG
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![BU of 6jdg by Molmil](/molmil-images/mine/6jdg) | Complexed crystal structure of PaSSB with ssDNA dT20 at 2.39 angstrom resolution | Descriptor: | DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), Single-stranded DNA-binding protein | Authors: | Huang, Y.H, Huang, C.Y. | Deposit date: | 2019-02-01 | Release date: | 2019-12-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.388 Å) | Cite: | Complexed crystal structure of SSB reveals a novel single-stranded DNA binding mode (SSB)3:1: Phe60 is not crucial for defining binding paths. Biochem.Biophys.Res.Commun., 520, 2019
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7F2L
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![BU of 7f2l by Molmil](/molmil-images/mine/7f2l) | Crystal structure of PDE4D catalytic domain complexed with compound 18a | Descriptor: | (~{E})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ... | Authors: | Huang, Y.-Y, He, X, Luo, H.-B. | Deposit date: | 2021-06-11 | Release date: | 2021-10-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.10111427 Å) | Cite: | Mangostanin Derivatives as Novel and Orally Active Phosphodiesterase 4 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis with Improved Safety. J.Med.Chem., 64, 2021
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7F2M
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![BU of 7f2m by Molmil](/molmil-images/mine/7f2m) | Crystal structure of PDE4D catalytic domain complexed with compound 18d | Descriptor: | (~{Z})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ... | Authors: | Huang, Y.-Y, He, X, Luo, H.-B. | Deposit date: | 2021-06-11 | Release date: | 2021-10-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.20004153 Å) | Cite: | Mangostanin Derivatives as Novel and Orally Active Phosphodiesterase 4 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis with Improved Safety. J.Med.Chem., 64, 2021
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7F2K
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![BU of 7f2k by Molmil](/molmil-images/mine/7f2k) | Crystal structure of PDE4D catalytic domain complexed with compound 17a | Descriptor: | (~{E})-4-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ... | Authors: | Huang, Y.-Y, He, X, Luo, H.-B. | Deposit date: | 2021-06-11 | Release date: | 2021-10-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.10001969 Å) | Cite: | Mangostanin Derivatives as Novel and Orally Active Phosphodiesterase 4 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis with Improved Safety. J.Med.Chem., 64, 2021
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5YNZ
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![BU of 5ynz by Molmil](/molmil-images/mine/5ynz) | Crystal structure of the dihydroorotase domain (K1556A) of human CAD | Descriptor: | CAD protein, ZINC ION | Authors: | Huang, Y.H, Chen, K.L, Cheng, J.H, Huang, C.Y. | Deposit date: | 2017-10-26 | Release date: | 2018-10-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.774 Å) | Cite: | Crystal structures of monometallic dihydropyrimidinase and the human dihydroorotase domain K1556A mutant reveal no lysine carbamylation within the active site Biochem. Biophys. Res. Commun., 505, 2018
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7XBB
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![BU of 7xbb by Molmil](/molmil-images/mine/7xbb) | Crystal structure of PDE4D catalytic domain complexed with compound 23a | Descriptor: | (2~{R},4~{S})-6-ethyl-2-[(2~{E})-2-hydroxyiminoethyl]-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ... | Authors: | Huang, Y.-Y, Luo, H.-B. | Deposit date: | 2022-03-21 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.100009 Å) | Cite: | Structure-based optimization of Toddacoumalone as highly potent and selective PDE4 inhibitors with anti-inflammatory effects. Biochem Pharmacol, 202, 2022
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5Y82
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![BU of 5y82 by Molmil](/molmil-images/mine/5y82) | |
6IRQ
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![BU of 6irq by Molmil](/molmil-images/mine/6irq) | |
1I4O
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![BU of 1i4o by Molmil](/molmil-images/mine/1i4o) | CRYSTAL STRUCTURE OF THE XIAP/CASPASE-7 COMPLEX | Descriptor: | BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 4, CASPASE-7 | Authors: | Huang, Y, Park, Y.C, Rich, R.L, Segal, D, Myszka, D.G, Wu, H. | Deposit date: | 2001-02-22 | Release date: | 2001-03-21 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis of caspase inhibition by XIAP: differential roles of the linker versus the BIR domain. Cell(Cambridge,Mass.), 104, 2001
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5YUO
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![BU of 5yuo by Molmil](/molmil-images/mine/5yuo) | |
1D2H
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![BU of 1d2h by Molmil](/molmil-images/mine/1d2h) | CRYSTAL STRUCTURE OF R175K MUTANT GLYCINE N-METHYLTRANSFERASE COMPLEXED WITH S-ADENOSYLHOMOCYSTEINE | Descriptor: | GLYCINE N-METHYLTRANSFERASE, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Huang, Y, Komoto, J, Takusagawa, F, Konishi, K, Takata, Y. | Deposit date: | 1999-10-11 | Release date: | 1999-10-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Mechanisms for auto-inhibition and forced product release in glycine N-methyltransferase: crystal structures of wild-type, mutant R175K and S-adenosylhomocysteine-bound R175K enzymes. J.Mol.Biol., 298, 2000
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6KLK
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![BU of 6klk by Molmil](/molmil-images/mine/6klk) | |
6KO0
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![BU of 6ko0 by Molmil](/molmil-images/mine/6ko0) | The crystal structue of PDE10A complexed with 1i | Descriptor: | 3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Huang, Y.-Y, Yu, Y.F, Zhang, C, Guo, L, Wu, D, Luo, H.-B. | Deposit date: | 2019-08-07 | Release date: | 2020-04-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.600029 Å) | Cite: | Discovery and Optimization of Chromone Derivatives as Novel Selective Phosphodiesterase 10 Inhibitors. Acs Chem Neurosci, 11, 2020
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6KO1
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![BU of 6ko1 by Molmil](/molmil-images/mine/6ko1) | The crystal structue of PDE10A complexed with 2d | Descriptor: | 6-chloranyl-3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Huang, Y.-Y, Yu, Y.F, Zhang, C, Guo, L, Wu, D, Luo, H.-B. | Deposit date: | 2019-08-07 | Release date: | 2020-04-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery and Optimization of Chromone Derivatives as Novel Selective Phosphodiesterase 10 Inhibitors. Acs Chem Neurosci, 11, 2020
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7YM1
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![BU of 7ym1 by Molmil](/molmil-images/mine/7ym1) | Structure of SsbA protein in complex with the anticancer drug 5-fluorouracil | Descriptor: | 5-FLUOROURACIL, GLYCEROL, Single-stranded DNA-binding protein | Authors: | Huang, Y.H, Yang, P.C, Chiang, W.Y, Lin, E.S, Huang, C.Y. | Deposit date: | 2022-07-27 | Release date: | 2023-08-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Crystal Structure of DNA Replication Protein SsbA Complexed with the Anticancer Drug 5-Fluorouracil. Int J Mol Sci, 24, 2023
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6IJI
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![BU of 6iji by Molmil](/molmil-images/mine/6iji) | Crystal structure of PDE10 in complex with inhibitor 2b | Descriptor: | 2-{2-[5-methyl-1-(pyridin-4-yl)-1H-benzimidazol-2-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione, MAGNESIUM ION, ZINC ION, ... | Authors: | Huang, Y.Y, Yu, Y.F, Zhang, C, Wu, D, Wu, Y, Luo, H.B. | Deposit date: | 2018-10-10 | Release date: | 2019-04-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Validation of Phosphodiesterase-10 as a Novel Target for Pulmonary Arterial Hypertension via Highly Selective and Subnanomolar Inhibitors. J. Med. Chem., 62, 2019
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4F5D
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![BU of 4f5d by Molmil](/molmil-images/mine/4f5d) | ERIS/STING in complex with ligand | 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), MAGNESIUM ION, Transmembrane protein 173 | Authors: | Huang, Y.H, Liu, X.Y, Su, X.D. | Deposit date: | 2012-05-13 | Release date: | 2012-06-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The structural basis for the sensing and binding of cyclic di-GMP by STING Nat.Struct.Mol.Biol., 19, 2012
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6IJH
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![BU of 6ijh by Molmil](/molmil-images/mine/6ijh) | Crystal structure of PDE10 in complex with inhibitor AF-399/14387019 | Descriptor: | 2-[2-(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione, MAGNESIUM ION, ZINC ION, ... | Authors: | Huang, Y.Y, Yu, Y.F, Zhang, C, Wu, D, Wu, Y, Luo, H.B. | Deposit date: | 2018-10-10 | Release date: | 2019-04-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Validation of Phosphodiesterase-10 as a Novel Target for Pulmonary Arterial Hypertension via Highly Selective and Subnanomolar Inhibitors. J. Med. Chem., 62, 2019
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4F5E
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![BU of 4f5e by Molmil](/molmil-images/mine/4f5e) | Crystal structure of ERIS/STING | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Transmembrane protein 173 | Authors: | Huang, Y.H, Liu, X.Y, Su, X.D. | Deposit date: | 2012-05-13 | Release date: | 2012-06-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | The structural basis for the sensing and binding of cyclic di-GMP by STING Nat.Struct.Mol.Biol., 19, 2012
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7SZ7
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![BU of 7sz7 by Molmil](/molmil-images/mine/7sz7) | Cryo-EM structure of the extracellular module of the full-length EGFR bound to TGF-alpha. "tips-juxtaposed" conformation | Descriptor: | Epidermal growth factor receptor, Transforming growth factor alpha | Authors: | Huang, Y, Ognjenovic, J, Karandur, D, Miller, K, Merk, A, Subramaniam, S, Kuriyan, J. | Deposit date: | 2021-11-25 | Release date: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | A molecular mechanism for the generation of ligand-dependent differential outputs by the epidermal growth factor receptor. Elife, 10, 2021
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7SZ1
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![BU of 7sz1 by Molmil](/molmil-images/mine/7sz1) | Cryo-EM structure of the extracellular module of the full-length EGFR L834R bound to EGF. "tips-separated" conformation | Descriptor: | Epidermal growth factor, Epidermal growth factor receptor | Authors: | Huang, Y, Ognjenovic, J, Karandur, D, Miller, K, Merk, A, Subramaniam, S, Kuriyan, J. | Deposit date: | 2021-11-25 | Release date: | 2021-12-22 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | A molecular mechanism for the generation of ligand-dependent differential outputs by the epidermal growth factor receptor. Elife, 10, 2021
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7SYD
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![BU of 7syd by Molmil](/molmil-images/mine/7syd) | Cryo-EM structure of the extracellular module of the full-length EGFR bound to EGF "tips-juxtaposed" conformation | Descriptor: | Epidermal growth factor, Epidermal growth factor receptor | Authors: | Huang, Y, Ognjenovic, J, Karandur, D, Miller, K, Merk, A, Subramaniam, S, Kuriyan, J. | Deposit date: | 2021-11-24 | Release date: | 2021-12-22 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | A molecular mechanism for the generation of ligand-dependent differential outputs by the epidermal growth factor receptor. Elife, 10, 2021
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7SZ5
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![BU of 7sz5 by Molmil](/molmil-images/mine/7sz5) | Cryo-EM structure of the extracellular module of the full-length EGFR bound to TGF-alpha "tips-separated" conformation | Descriptor: | Epidermal growth factor receptor, Transforming growth factor alpha | Authors: | Huang, Y, Ognjenovic, J, Karandur, D, Miller, K, Merk, A, Subramaniam, S, Kuriyan, J. | Deposit date: | 2021-11-25 | Release date: | 2021-12-22 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | A molecular mechanism for the generation of ligand-dependent differential outputs by the epidermal growth factor receptor. Elife, 10, 2021
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