6IMR
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![BU of 6imr by Molmil](/molmil-images/mine/6imr) | Crystal structure of PDE4D complexed with a novel inhibitor | Descriptor: | (1S)-1-[3-(1H-indol-3-yl)propyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | Deposit date: | 2018-10-23 | Release date: | 2019-10-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.503 Å) | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J.Med.Chem., 62, 2019
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7Y42
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6KX3
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![BU of 6kx3 by Molmil](/molmil-images/mine/6kx3) | Crystal structure of RhoA protein with covalent inhibitor DC-Rhoin | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA, prop-2-enyl (3R)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate | Authors: | Zhang, H, Luo, C. | Deposit date: | 2019-09-09 | Release date: | 2020-08-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.981 Å) | Cite: | Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion. Adv Sci, 7, 2020
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6KX2
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![BU of 6kx2 by Molmil](/molmil-images/mine/6kx2) | Crystal structure of GDP bound RhoA protein | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA | Authors: | Zhang, H, Luo, C. | Deposit date: | 2019-09-09 | Release date: | 2020-08-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.454 Å) | Cite: | Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion. Adv Sci, 7, 2020
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3OCI
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![BU of 3oci by Molmil](/molmil-images/mine/3oci) | Crystal structure of TBP (TATA box binding protein) | Descriptor: | 1,2-ETHANEDIOL, TRANSCRIPTION INITIATION FACTOR TFIID (TFIID-1) | Authors: | Cui, S, Wollmann, P, Moldt, M, Hopfner, K.-P. | Deposit date: | 2010-08-10 | Release date: | 2011-07-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | Structure and mechanism of the Swi2/Snf2 remodeller Mot1 in complex with its substrate TBP. Nature, 475, 2011
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1FE8
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![BU of 1fe8 by Molmil](/molmil-images/mine/1fe8) | CRYSTAL STRUCTURE OF THE VON WILLEBRAND FACTOR A3 DOMAIN IN COMPLEX WITH A FAB FRAGMENT OF IGG RU5 THAT INHIBITS COLLAGEN BINDING | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CACODYLATE ION, IMMUNOGLOBULIN IGG RU5, ... | Authors: | Bouma, B, Huizinga, E.G, Schiphorst, M.E, Sixma, J.J, Kroon, J, Gros, P. | Deposit date: | 2000-07-21 | Release date: | 2001-04-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Identification of the collagen-binding site of the von Willebrand factor A3-domain. J.Biol.Chem., 276, 2001
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4JDI
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1QA0
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![BU of 1qa0 by Molmil](/molmil-images/mine/1qa0) | BOVINE TRYPSIN 2-AMINOBENZIMIDAZOLE COMPLEX | Descriptor: | 2H-BENZOIMIDAZOL-2-YLAMINE, CALCIUM ION, TRYPSIN | Authors: | Whitlow, M. | Deposit date: | 1999-04-09 | Release date: | 2000-04-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin. Acta Crystallogr.,Sect.D, 55, 1999
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7UHB
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7UHC
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4KIQ
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4KS8
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![BU of 4ks8 by Molmil](/molmil-images/mine/4ks8) | PAK6 kinase domain in complex with sunitinib | Descriptor: | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide, Serine/threonine-protein kinase PAK 6 | Authors: | Gao, J, Boggon, T.J. | Deposit date: | 2013-05-17 | Release date: | 2013-09-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Substrate and Inhibitor Specificity of the Type II p21-Activated Kinase, PAK6. Plos One, 8, 2013
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4KIP
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6IDX
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![BU of 6idx by Molmil](/molmil-images/mine/6idx) | Crystal Structure of BAI1/ELMO2 complex | Descriptor: | Adhesion G protein-coupled receptor B1, Engulfment and cell motility protein 2 | Authors: | Weng, Z.F, Lin, L, Zhu, J.W, Zhang, R.G. | Deposit date: | 2018-09-11 | Release date: | 2019-01-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | Structure of BAI1/ELMO2 complex reveals an action mechanism of adhesion GPCRs via ELMO family scaffolds Nat Commun, 10, 2019
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4JDH
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6IE1
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![BU of 6ie1 by Molmil](/molmil-images/mine/6ie1) | Crystal Structure of ELMO2(Engulfment and cell motility protein 2) | Descriptor: | Engulfment and cell motility protein 2, GLYCEROL | Authors: | Weng, Z.F, Lin, L, Zhang, R.G, Zhu, J.W. | Deposit date: | 2018-09-12 | Release date: | 2019-01-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structure of BAI1/ELMO2 complex reveals an action mechanism of adhesion GPCRs via ELMO family scaffolds Nat Commun, 10, 2019
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4JDJ
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4JDK
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7K6O
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![BU of 7k6o by Molmil](/molmil-images/mine/7k6o) | Crystal structure of PI3Kalpha inhibitor 10-5429 | Descriptor: | (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylpyrrolidine-1-sulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | Deposit date: | 2020-09-21 | Release date: | 2021-01-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.738 Å) | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195). J.Med.Chem., 64, 2021
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7K71
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![BU of 7k71 by Molmil](/molmil-images/mine/7k71) | Crystal structure of PI3Kalpha inhibitor 4-0686 | Descriptor: | 2-(morpholin-4-yl)[4,5'-bipyrimidin]-2'-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | Deposit date: | 2020-09-21 | Release date: | 2021-01-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195). J.Med.Chem., 64, 2021
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7K6N
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![BU of 7k6n by Molmil](/molmil-images/mine/7k6n) | Crystal structure of PI3Kalpha selective Inhibitor 11-1575 | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, tert-butyl (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | Deposit date: | 2020-09-21 | Release date: | 2021-01-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195). J.Med.Chem., 64, 2021
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7KNA
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![BU of 7kna by Molmil](/molmil-images/mine/7kna) | Localized reconstruction of the H1 A/Michigan/45/2015 ectodomain displayed at the surface of I53_dn5 nanoparticle | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin,I53_dn5 | Authors: | Acton, O.J, Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2020-11-04 | Release date: | 2021-03-31 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Quadrivalent influenza nanoparticle vaccines induce broad protection. Nature, 592, 2021
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7K6M
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![BU of 7k6m by Molmil](/molmil-images/mine/7k6m) | Crystal structure of PI3Kalpha selective Inhibitor PF-06843195 | Descriptor: | 2,2-difluoroethyl (3S)-3-{[2'-amino-5-fluoro-2-(morpholin-4-yl)[4,5'-bipyrimidin]-6-yl]amino}-3-(hydroxymethyl)pyrrolidine-1-carboxylate, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | Deposit date: | 2020-09-21 | Release date: | 2021-01-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.413 Å) | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195). J.Med.Chem., 64, 2021
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7LYG
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7LYF
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