3MVR
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7MSA
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![BU of 7msa by Molmil](/molmil-images/mine/7msa) | GDC-9545 in complex with estrogen receptor alpha | Descriptor: | (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, 3-[(1R,3R)-1-(2,6-difluoro-4-{[1-(3-fluoropropyl)azetidin-3-yl]amino}phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol, Estrogen receptor | Authors: | Kiefer, J.R, Vinogradova, M, Liang, J, Zbieg, J.R, Wang, X, Ortwine, D.F. | Deposit date: | 2021-05-10 | Release date: | 2021-06-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | GDC-9545 (Giredestrant): A Potent and Orally Bioavailable Selective Estrogen Receptor Antagonist and Degrader with an Exceptional Preclinical Profile for ER+ Breast Cancer. J.Med.Chem., 64, 2021
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5TCP
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![BU of 5tcp by Molmil](/molmil-images/mine/5tcp) | Near-atomic resolution cryo-EM structure of the periplasmic domains of PrgH and PrgK | Descriptor: | Lipoprotein PrgK, Protein PrgH | Authors: | Worrall, L.J, Hong, C, Vuckovic, M, Bergeron, J.R.C, Huang, R.K, Yu, Z, Strynadka, N.C.J. | Deposit date: | 2016-09-15 | Release date: | 2016-12-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Near-atomic-resolution cryo-EM analysis of the Salmonella T3S injectisome basal body. Nature, 540, 2016
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1DLR
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![BU of 1dlr by Molmil](/molmil-images/mine/1dlr) | METHOTREXATE-RESISTANT VARIANTS OF HUMAN DIHYDROFOLATE REDUCTASE WITH SUBSTITUTION OF LEUCINE 22: KINETICS, CRYSTALLOGRAPHY AND POTENTIAL AS SELECTABLE MARKERS | Descriptor: | 6-(2,5-DIMETHOXY-BENZYL)-5-METHYL-PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W. | Deposit date: | 1995-01-25 | Release date: | 1995-04-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Methotrexate-resistant variants of human dihydrofolate reductase with substitutions of leucine 22. Kinetics, crystallography, and potential as selectable markers. J.Biol.Chem., 270, 1995
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1DLS
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![BU of 1dls by Molmil](/molmil-images/mine/1dls) | METHOTREXATE-RESISTANT VARIANTS OF HUMAN DIHYDROFOLATE REDUCTASE WITH SUBSTITUTION OF LEUCINE 22: KINETICS, CRYSTALLOGRAPHY AND POTENTIAL AS SELECTABLE MARKERS | Descriptor: | DIHYDROFOLATE REDUCTASE, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W. | Deposit date: | 1995-01-25 | Release date: | 1995-04-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Methotrexate-resistant variants of human dihydrofolate reductase with substitutions of leucine 22. Kinetics, crystallography, and potential as selectable markers. J.Biol.Chem., 270, 1995
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5TCQ
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![BU of 5tcq by Molmil](/molmil-images/mine/5tcq) | Near-atomic resolution cryo-EM structure of the Salmonella SPI-1 type III secretion injectisome secretin InvG | Descriptor: | Protein InvG | Authors: | Worrall, L.J, Hong, C, Vuckovic, M, Bergeron, J.R.C, Huang, R.K, Yu, Z, Strynadka, N.C.J. | Deposit date: | 2016-09-15 | Release date: | 2016-12-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Near-atomic-resolution cryo-EM analysis of the Salmonella T3S injectisome basal body. Nature, 540, 2016
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5UGY
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![BU of 5ugy by Molmil](/molmil-images/mine/5ugy) | Influenza hemagglutinin in complex with a neutralizing antibody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CH65 heavy chain, ... | Authors: | Whittle, J.R.R, Jenni, S, Harrison, S.C. | Deposit date: | 2017-01-10 | Release date: | 2017-01-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | Broadly neutralizing human antibody that recognizes the receptor-binding pocket of influenza virus hemagglutinin. Proc. Natl. Acad. Sci. U.S.A., 108, 2011
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5C0R
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![BU of 5c0r by Molmil](/molmil-images/mine/5c0r) | Crystal Structure of a Generation 3 Influenza Hemagglutinin Stabilized Stem Complexed with the Broadly Neutralizing Antibody C179 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C179 Fab heavy chain, ... | Authors: | Boyington, J.C, kwong, P.D, Nabel, G.J, Mascola, J.R. | Deposit date: | 2015-06-12 | Release date: | 2015-09-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.188 Å) | Cite: | Hemagglutinin-stem nanoparticles generate heterosubtypic influenza protection. Nat. Med., 21, 2015
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5TCR
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![BU of 5tcr by Molmil](/molmil-images/mine/5tcr) | Atomic model of the Salmonella SPI-1 type III secretion injectisome basal body proteins InvG, PrgH, and PrgK | Descriptor: | Lipoprotein PrgK, Protein InvG, Protein PrgH | Authors: | Worrall, L.J, Hong, C, Vuckovic, M, Bergeron, J.R.C, Huang, R.K, Yu, Z, Strynadka, N.C.J. | Deposit date: | 2016-09-15 | Release date: | 2016-12-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (6.3 Å) | Cite: | Near-atomic-resolution cryo-EM analysis of the Salmonella T3S injectisome basal body. Nature, 540, 2016
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5C0S
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![BU of 5c0s by Molmil](/molmil-images/mine/5c0s) | Crystal structure of a generation 4 influenza hemagglutinin stabilized stem in complex with the broadly neutralizing antibody CR6261 | Descriptor: | CR6261 antibody heavy chain, CR6261 antibody light chain, Hemagglutinin, ... | Authors: | Boyington, J.C, Kwong, P.D, Nabel, G.J, Mascola, J.R. | Deposit date: | 2015-06-12 | Release date: | 2015-09-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (4.3 Å) | Cite: | Hemagglutinin-stem nanoparticles generate heterosubtypic influenza protection. Nat. Med., 21, 2015
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5ISL
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5IVV
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5IVE
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![BU of 5ive by Molmil](/molmil-images/mine/5ive) | Linked KDM5A Jmj Domain Bound to the Inhibitor N8 ( 5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile) | Descriptor: | 5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Lysine-specific demethylase 5A, MANGANESE (II) ION | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2016-03-20 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.783 Å) | Cite: | Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds. Cell Chem Biol, 23, 2016
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5IW0
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5IVC
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![BU of 5ivc by Molmil](/molmil-images/mine/5ivc) | Linked KDM5A Jmj Domain Bound to the Inhibitor N3 (4'-[(2-phenylethyl)carbamoyl][2,2'-bipyridine]-4-carboxylic acid) | Descriptor: | 1,2-ETHANEDIOL, 4'-[(2-phenylethyl)carbamoyl][2,2'-bipyridine]-4-carboxylic acid, GLYCEROL, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2016-03-20 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.573 Å) | Cite: | Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds. Cell Chem Biol, 23, 2016
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5IWF
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5IVB
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5IVF
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![BU of 5ivf by Molmil](/molmil-images/mine/5ivf) | Linked KDM5A Jmj Domain Bound to the Inhibitor N10 8-(1-methyl-1H-imidazol-4-yl)-2-(4,4,4-trifluorobutoxy)pyrido[3,4-d]pyrimidin-4-ol | Descriptor: | 8-(1-methyl-1H-imidazol-4-yl)-2-(4,4,4-trifluorobutoxy)pyrido[3,4-d]pyrimidin-4-ol, Lysine-specific demethylase 5A, MANGANESE (II) ION | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2016-03-20 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.683 Å) | Cite: | Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds. Cell Chem Biol, 23, 2016
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3G5N
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![BU of 3g5n by Molmil](/molmil-images/mine/3g5n) | Triple ligand occupancy crystal structure of cytochrome P450 2B4 in complex with the inhibitor 1-biphenyl-4-methyl-1H-imidazole | Descriptor: | 1-(biphenyl-4-ylmethyl)-1H-imidazole, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ... | Authors: | Gay, S.C, Sun, L, Maekawa, K, Halpert, J.R, Stout, C.D. | Deposit date: | 2009-02-05 | Release date: | 2009-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of cytochrome P450 2B4 in complex with the inhibitor 1-biphenyl-4-methyl-1H-imidazole: ligand-induced structural response through alpha-helical repositioning. Biochemistry, 48, 2009
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3G93
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![BU of 3g93 by Molmil](/molmil-images/mine/3g93) | Single ligand occupancy crystal structure of cytochrome P450 2B4 in complex with the inhibitor 1-biphenyl-4-methyl-1H-imidazole | Descriptor: | 1-(biphenyl-4-ylmethyl)-1H-imidazole, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Gay, S.C, Sun, L, Maekawa, K, Halpert, J.R, Stout, C.D. | Deposit date: | 2009-02-12 | Release date: | 2009-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structures of cytochrome P450 2B4 in complex with the inhibitor 1-biphenyl-4-methyl-1H-imidazole: ligand-induced structural response through alpha-helical repositioning. Biochemistry, 48, 2009
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5IVJ
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![BU of 5ivj by Molmil](/molmil-images/mine/5ivj) | Linked KDM5A Jmj Domain Bound to the Inhibitor N11 [3-({1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-fluoro-1H-indazol-3-yl}amino)pyridine-4-carboxylic acid] | Descriptor: | 3-({1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-fluoro-1H-indazol-3-yl}amino)pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2016-03-21 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.569 Å) | Cite: | Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds. Cell Chem Biol, 23, 2016
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5IVY
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3UAS
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![BU of 3uas by Molmil](/molmil-images/mine/3uas) | Cytochrome P450 2B4 covalently bound to the mechanism-based inactivator 9-ethynylphenanthrene | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Gay, S.C, Zhang, H, Shah, M.B, Stout, C.D, Halpert, J.R, Hollenberg, P.F. | Deposit date: | 2011-10-21 | Release date: | 2013-01-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.939 Å) | Cite: | Potent Mechanism-Based Inactivation of Cytochrome P450 2B4 by 9-Ethynylphenanthrene: Implications for Allosteric Modulation of Cytochrome P450 Catalysis. Biochemistry, 52, 2013
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3TK3
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![BU of 3tk3 by Molmil](/molmil-images/mine/3tk3) | Cytochrome P450 2B4 mutant L437A in complex with 4-(4-chlorophenyl)imidazole | Descriptor: | 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Gay, S.C, Jang, H.H, Wilderman, P.R, Zhang, Q, Stout, C.D, Halpert, J.R. | Deposit date: | 2011-08-25 | Release date: | 2011-11-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8001 Å) | Cite: | Investigation by site-directed mutagenesis of the role of cytochrome P450 2B4 non-active-site residues in protein-ligand interactions based on crystal structures of the ligand-bound enzyme. Febs J., 279, 2012
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3R1B
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![BU of 3r1b by Molmil](/molmil-images/mine/3r1b) | Open crystal structure of cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene | Descriptor: | (4-tert-butylphenyl)acetaldehyde, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ... | Authors: | Gay, S.C, Zhang, H, Stout, C.D, Hollenberg, P.F, Halpert, J.R. | Deposit date: | 2011-03-09 | Release date: | 2011-05-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Analysis of Mammalian Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator tert-Butylphenylacetylene: Insight into Partial Enzymatic Activity. Biochemistry, 50, 2011
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