6V9C
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![BU of 6v9c by Molmil](/molmil-images/mine/6v9c) | Crystal structure of FGFR4 kinase domain in complex with covalent inhibitor | Descriptor: | Fibroblast growth factor receptor 4, N-[(3R,4S)-4-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}oxolan-3-yl]prop-2-enamide, SULFATE ION | Authors: | Liu, J, Liu, H. | Deposit date: | 2019-12-13 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Selective, Covalent FGFR4 Inhibitors with Antitumor Activity in Models of Hepatocellular Carcinoma. Acs Med.Chem.Lett., 11, 2020
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6O1O
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4YJ5
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![BU of 4yj5 by Molmil](/molmil-images/mine/4yj5) | Crystal structure of PKM2 mutant | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, PYRUVIC ACID, ... | Authors: | Liu, J.-S, Wu, C.-W, Wang, W.-C. | Deposit date: | 2015-03-03 | Release date: | 2016-03-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Mutations in the PKM2 exon-10 region are associated with reduced allostery and increased nuclear translocation Commun Biol, 2, 2019
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5OWV
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3ZP3
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![BU of 3zp3 by Molmil](/molmil-images/mine/3zp3) | INFLUENZA VIRUS (VN1194) H5 HA A138V mutant with LSTc | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HAEMAGGLUTININ, N-acetyl-alpha-neuraminic acid, ... | Authors: | Liu, J, Stevens, D.J, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2013-02-26 | Release date: | 2013-10-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Changes in the Hemagglutinin of H5N1 Viruses During Human Infection - Influence on Receptor Binding. Virology, 447, 2013
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3ZP1
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![BU of 3zp1 by Molmil](/molmil-images/mine/3zp1) | INFLUENZA VIRUS (VN1194) H5 HA with LSTc | Descriptor: | HAEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-2)-beta-D-galactopyranose | Authors: | Liu, J, Stevens, D.J, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2013-02-26 | Release date: | 2013-10-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Changes in the Hemagglutinin of H5N1 Viruses During Human Infection - Influence on Receptor Binding. Virology, 447, 2013
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3ZP2
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![BU of 3zp2 by Molmil](/molmil-images/mine/3zp2) | INFLUENZA VIRUS (VN1194) H5 HA A138V mutant with LSTa | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HAEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose | Authors: | Liu, J, Stevens, D.J, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2013-02-26 | Release date: | 2013-10-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Changes in the Hemagglutinin of H5N1 Viruses During Human Infection - Influence on Receptor Binding. Virology, 447, 2013
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3ZP6
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![BU of 3zp6 by Molmil](/molmil-images/mine/3zp6) | INFLUENZA VIRUS (VN1194) H5 E190D mutant HA with LSTc | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HAEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose | Authors: | Liu, J, Stevens, D.J, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2013-02-26 | Release date: | 2013-10-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Changes in the Hemagglutinin of H5N1 Viruses During Human Infection - Influence on Receptor Binding. Virology, 447, 2013
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3ZP0
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![BU of 3zp0 by Molmil](/molmil-images/mine/3zp0) | INFLUENZA VIRUS (VN1194) H5 HA with LSTa | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose | Authors: | Liu, J, Stevens, D.J, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2013-02-26 | Release date: | 2013-10-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Changes in the Hemagglutinin of H5N1 Viruses During Human Infection - Influence on Receptor Binding. Virology, 447, 2013
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6U3T
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![BU of 6u3t by Molmil](/molmil-images/mine/6u3t) | Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus | Descriptor: | Alpha-hemolysin, SULFATE ION, fos-choline-14 | Authors: | Liu, J, Kozhaya, L, Torres, V.J, Unutmaz, D, Lu, M. | Deposit date: | 2019-08-22 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structure-based discovery of a small-molecule inhibitor of methicillin-resistantStaphylococcus aureusvirulence. J.Biol.Chem., 295, 2020
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5OXF
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3ZPA
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![BU of 3zpa by Molmil](/molmil-images/mine/3zpa) | INFLUENZA VIRUS (VN1194) H5 I155F mutant HA | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ | Authors: | Liu, J, Chen, Z, Stevens, D.J, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2013-02-27 | Release date: | 2013-10-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Changes in the Hemagglutinin of H5N1 Viruses During Human Infection - Influence on Receptor Binding. Virology, 447, 2013
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3ZPB
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![BU of 3zpb by Molmil](/molmil-images/mine/3zpb) | INFLUENZA VIRUS (VN1194) H5 E190D mutant HA with LSTa | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HAEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Liu, J, Stevens, D.J, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2013-02-27 | Release date: | 2013-10-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Changes in the Hemagglutinin of H5N1 Viruses During Human Infection - Influence on Receptor Binding. Virology, 447, 2013
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5G06
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![BU of 5g06 by Molmil](/molmil-images/mine/5g06) | Cryo-EM structure of yeast cytoplasmic exosome | Descriptor: | EXOSOME COMPLEX COMPONENT CSL4, EXOSOME COMPLEX COMPONENT MTR3, EXOSOME COMPLEX COMPONENT RRP4, ... | Authors: | Liu, J.J, Niu, C.Y, Wu, Y, Tan, D, Wang, Y, Ye, M.D, Liu, Y, Zhao, W.W, Zhou, K, Liu, Q.S, Dai, J.B, Yang, X.R, Dong, M.Q, Huang, N, Wang, H.W. | Deposit date: | 2016-03-17 | Release date: | 2016-06-15 | Last modified: | 2017-08-02 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Cryoem Structure of Yeast Cytoplasmic Exosome Complex. Cell Res., 26, 2016
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6U2S
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![BU of 6u2s by Molmil](/molmil-images/mine/6u2s) | Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus | Descriptor: | Bi-component leukocidin LukED subunit D, fos-choline-14 | Authors: | Liu, J, Kozhaya, L, Torres, V.J, Unutmaz, D, Lu, M. | Deposit date: | 2019-08-20 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-based discovery of a small-molecule inhibitor of methicillin-resistantStaphylococcus aureusvirulence. J.Biol.Chem., 295, 2020
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6U33
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![BU of 6u33 by Molmil](/molmil-images/mine/6u33) | Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus | Descriptor: | Bi-component leukocidin LukED subunit D, NICKEL (II) ION | Authors: | Liu, J, Kozhaya, L, Torres, V.J, Unutmaz, D, Lu, M. | Deposit date: | 2019-08-21 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure-based discovery of a small-molecule inhibitor of methicillin-resistantStaphylococcus aureusvirulence. J.Biol.Chem., 295, 2020
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6U3F
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![BU of 6u3f by Molmil](/molmil-images/mine/6u3f) | Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus | Descriptor: | Panton-Valentine Leucocidin F, SULFATE ION, fos-choline-14 | Authors: | Liu, J, Kozhaya, L, Torres, V.J, Unutmaz, D, Lu, M. | Deposit date: | 2019-08-21 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structure-based discovery of a small-molecule inhibitor of methicillin-resistantStaphylococcus aureusvirulence. J.Biol.Chem., 295, 2020
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6U4P
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![BU of 6u4p by Molmil](/molmil-images/mine/6u4p) | Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus | Descriptor: | Alpha-hemolysin, SULFATE ION, fos-choline-14 | Authors: | Liu, J, Kozhaya, L, Torres, V.J, Unutmaz, D, Lu, M. | Deposit date: | 2019-08-26 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structure-based discovery of a small-molecule inhibitor of methicillin-resistantStaphylococcus aureusvirulence. J.Biol.Chem., 295, 2020
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6U3Y
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![BU of 6u3y by Molmil](/molmil-images/mine/6u3y) | Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus | Descriptor: | ACETATE ION, Gamma-hemolysin subunit A, Panton-Valentine Leucocidin F, ... | Authors: | Liu, J, Kozhaya, L, Torres, V.J, Unutmaz, D, Lu, M. | Deposit date: | 2019-08-22 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structure-based discovery of a small-molecule inhibitor of methicillin-resistantStaphylococcus aureusvirulence. J.Biol.Chem., 295, 2020
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6U49
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![BU of 6u49 by Molmil](/molmil-images/mine/6u49) | Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus | Descriptor: | Alpha-hemolysin, SULFATE ION, fos-choline-14 | Authors: | Liu, J, Kozhaya, L, Torres, V.J, Unutmaz, D, Lu, M. | Deposit date: | 2019-08-23 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure-based discovery of a small-molecule inhibitor of methicillin-resistantStaphylococcus aureusvirulence. J.Biol.Chem., 295, 2020
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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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6PW1
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![BU of 6pw1 by Molmil](/molmil-images/mine/6pw1) | Cytochrome c Oxidase delta 16 | Descriptor: | (2S,3R)-heptane-1,2,3-triol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, ... | Authors: | Liu, J, Ferguson-Miller, S. | Deposit date: | 2019-07-21 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural changes at the surface of cytochrome c oxidase alter the proton-pumping stoichiometry. Biochim Biophys Acta Bioenerg, 1861, 2019
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6PW0
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![BU of 6pw0 by Molmil](/molmil-images/mine/6pw0) | Cytochrome C oxidase delta 6 mutant | Descriptor: | (2S,3R)-heptane-1,2,3-triol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, ... | Authors: | Liu, J, Ferguson-Miller, S. | Deposit date: | 2019-07-21 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural changes at the surface of cytochrome c oxidase alter the proton-pumping stoichiometry. Biochim Biophys Acta Bioenerg, 1861, 2019
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1P2A
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![BU of 1p2a by Molmil](/molmil-images/mine/1p2a) | The structure of cyclin dependent kinase 2 (CKD2) with a trisubstituted naphthostyril inhibitor | Descriptor: | 5-[(2-AMINOETHYL)AMINO]-6-FLUORO-3-(1H-PYRROL-2-YL)BENZO[CD]INDOL-2(1H)-ONE, Cell division protein kinase 2 | Authors: | Liu, J.-J, Dermatakis, A, Lukacs, C.M, Konzelmann, F, Chen, Y, Kammlott, U, Depinto, W, Yang, H, Yin, X, Chen, Y, Schutt, A, Simcox, M.E, Luk, K.-C. | Deposit date: | 2003-04-15 | Release date: | 2003-07-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 3,5,6-Trisubstituted Naphthostyrils as CDK2 Inhibitors BIOORG.MED.CHEM., 13, 2003
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