8W4Q
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![BU of 8w4q by Molmil](/molmil-images/mine/8w4q) | Crystal structure of PDE4D complexed with CX-4945 | Descriptor: | 1,2-ETHANEDIOL, 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, MAGNESIUM ION, ... | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | Deposit date: | 2023-08-24 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors. Eur.J.Med.Chem., 262, 2023
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8W4R
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![BU of 8w4r by Molmil](/molmil-images/mine/8w4r) | Crystal structure of PDE4D complexed with CVT-313 | Descriptor: | 1,2-ETHANEDIOL, 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol), MAGNESIUM ION, ... | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | Deposit date: | 2023-08-24 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors. Eur.J.Med.Chem., 262, 2023
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8W4S
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![BU of 8w4s by Molmil](/molmil-images/mine/8w4s) | Crystal structure of PDE5A in complex with CVT-313 | Descriptor: | 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol), MAGNESIUM ION, ZINC ION, ... | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | Deposit date: | 2023-08-24 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.848 Å) | Cite: | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors. Eur.J.Med.Chem., 262, 2023
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8W4T
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![BU of 8w4t by Molmil](/molmil-images/mine/8w4t) | Crystal structure of PDE5A in complex with a novel inhibitor | Descriptor: | 2-[bis(2-hydroxyethyl)amino]-6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7~{H}-purin-8-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | Deposit date: | 2023-08-24 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.199 Å) | Cite: | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors. Eur.J.Med.Chem., 262, 2023
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8X1N
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![BU of 8x1n by Molmil](/molmil-images/mine/8x1n) | Cryo-EM structure of human alpha-fetoprotein | Descriptor: | Alpha-fetoprotein, PALMITIC ACID, ZINC ION, ... | Authors: | Liu, Z.M, Li, M.S, Wu, C, Liu, K. | Deposit date: | 2023-11-08 | Release date: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.31 Å) | Cite: | Structural characteristics of alpha-fetoprotein, including N-glycosylation, metal ion and fatty acid binding sites. Commun Biol, 7, 2024
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6F9C
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![BU of 6f9c by Molmil](/molmil-images/mine/6f9c) | |
6F9E
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![BU of 6f9e by Molmil](/molmil-images/mine/6f9e) | |
6F9D
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6F9B
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![BU of 6f9b by Molmil](/molmil-images/mine/6f9b) | |
6F8P
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![BU of 6f8p by Molmil](/molmil-images/mine/6f8p) | |
8U0G
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![BU of 8u0g by Molmil](/molmil-images/mine/8u0g) | |
6F9F
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8WE3
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![BU of 8we3 by Molmil](/molmil-images/mine/8we3) | Crystal structure of human FABP4 complexed with C7 | Descriptor: | 2-[(3-chloranyl-2-phenyl-phenyl)amino]-5-fluoranyl-benzoic acid, Fatty acid-binding protein, adipocyte | Authors: | Xie, H, Chen, G.F, Xu, Y.C, Li, M.J. | Deposit date: | 2023-09-16 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structure-based design of potent FABP4 inhibitors with high selectivity against FABP3. Eur.J.Med.Chem., 264, 2023
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6U6P
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6U6R
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![BU of 6u6r by Molmil](/molmil-images/mine/6u6r) | |
6U6S
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![BU of 6u6s by Molmil](/molmil-images/mine/6u6s) | |
6U6Q
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7BV6
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![BU of 7bv6 by Molmil](/molmil-images/mine/7bv6) | Crystal structure of the autophagic STX17/SNAP29/VAMP8 SNARE complex | Descriptor: | Synaptosomal-associated protein 29, Syntaxin-17, Vesicle-associated membrane protein 8 | Authors: | Li, Y, Pan, L.F. | Deposit date: | 2020-04-09 | Release date: | 2020-09-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Decoding three distinct states of the Syntaxin17 SNARE motif in mediating autophagosome-lysosome fusion. Proc.Natl.Acad.Sci.USA, 117, 2020
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7BV4
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![BU of 7bv4 by Molmil](/molmil-images/mine/7bv4) | Crystal structure of STX17 LIR region in complex with GABARAP | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Gamma-aminobutyric acid receptor-associated protein, ... | Authors: | Li, Y, Pan, L.F. | Deposit date: | 2020-04-09 | Release date: | 2020-09-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Decoding three distinct states of the Syntaxin17 SNARE motif in mediating autophagosome-lysosome fusion. Proc.Natl.Acad.Sci.USA, 117, 2020
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2R2O
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![BU of 2r2o by Molmil](/molmil-images/mine/2r2o) | Crystal structure of the effector domain of human Plexin B1 | Descriptor: | Plexin-B1, UNKNOWN ATOM OR ION | Authors: | Tong, Y, Tempel, W, Shen, L, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2007-08-27 | Release date: | 2007-09-04 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Binding of Rac1, Rnd1, and RhoD to a novel Rho GTPase interaction motif destabilizes dimerization of the plexin-B1 effector domain. J.Biol.Chem., 282, 2007
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6LI0
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![BU of 6li0 by Molmil](/molmil-images/mine/6li0) | Crystal structure of GPR52 in complex with agonist c17 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CITRATE ANION, Chimera of G-protein coupled receptor 52 and Flavodoxin, ... | Authors: | Luo, Z.P, Lin, X, Xu, F, Han, G.W. | Deposit date: | 2019-12-10 | Release date: | 2020-02-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of ligand recognition and self-activation of orphan GPR52. Nature, 579, 2020
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5XFJ
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![BU of 5xfj by Molmil](/molmil-images/mine/5xfj) | Crystal structure of LY2874455 in complex of FGFR4 gatekeeper mutation (V550M) | Descriptor: | 2-[4-[E-2-[5-[(1R)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol, Fibroblast growth factor receptor 4 | Authors: | Wu, D, Chen, Y. | Deposit date: | 2017-04-10 | Release date: | 2018-08-08 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | LY2874455 potently inhibits FGFR gatekeeper mutants and overcomes mutation-based resistance. Chem. Commun. (Camb.), 54, 2018
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6LI2
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![BU of 6li2 by Molmil](/molmil-images/mine/6li2) | Crystal structure of GPR52 ligand free form with rubredoxin fusion | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera of G-protein coupled receptor 52 and Rubredoxin, DI(HYDROXYETHYL)ETHER, ... | Authors: | Luo, Z.P, Lin, X, Xu, F, Han, G.W. | Deposit date: | 2019-12-10 | Release date: | 2020-02-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis of ligand recognition and self-activation of orphan GPR52. Nature, 579, 2020
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5XFF
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![BU of 5xff by Molmil](/molmil-images/mine/5xff) | Crystal structure of LY2874455 in complex of FGFR4 gatekeeper mutation (V550L) | Descriptor: | 2-[4-[E-2-[5-[(1R)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol, Fibroblast growth factor receptor 4 | Authors: | Wu, D, Chen, Y. | Deposit date: | 2017-04-10 | Release date: | 2018-09-05 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | LY2874455 potently inhibits FGFR gatekeeper mutants and overcomes mutation-based resistance. Chem. Commun. (Camb.), 54, 2018
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6UVU
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![BU of 6uvu by Molmil](/molmil-images/mine/6uvu) | Crystal structure of the AntR antimony-specific transcriptional repressor | Descriptor: | ArsR family transcriptional regulator | Authors: | Thiruselvam, V, Banumathi, S, Palani, K, Manohar, R, Rosen, B.P. | Deposit date: | 2019-11-04 | Release date: | 2020-11-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Functional and structural characterization of AntR, an Sb(III) responsive transcriptional repressor. Mol.Microbiol., 116, 2021
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