7WEE
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6MT0
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![BU of 6mt0 by Molmil](/molmil-images/mine/6mt0) | Crystal structure of human Pim-1 kinase in complex with a quinazolinone-pyrrolodihydropyrrolone inhibitor | Descriptor: | 3-(1-methylcyclopropyl)-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one, GLYCEROL, Serine/threonine-protein kinase pim-1 | Authors: | Mohr, C. | Deposit date: | 2018-10-18 | Release date: | 2019-01-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of ( R)-8-(6-Methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4- b]pyrrol-2-yl)-3-(1-methylcyclopropyl)-2-((1-methylcyclopropyl)amino)quinazolin-4(3 H)-one, a Potent and Selective Pim-1/2 Kinase Inhibitor for Hematological Malignancies. J. Med. Chem., 62, 2019
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3JAE
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![BU of 3jae by Molmil](/molmil-images/mine/3jae) | Structure of alpha-1 glycine receptor by single particle electron cryo-microscopy, glycine-bound state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycine receptor subunit alphaZ1 | Authors: | Du, J, Lu, W, Wu, S.P, Cheng, Y.F, Gouaux, E. | Deposit date: | 2015-06-08 | Release date: | 2015-09-09 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Glycine receptor mechanism elucidated by electron cryo-microscopy. Nature, 526, 2015
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3JAF
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![BU of 3jaf by Molmil](/molmil-images/mine/3jaf) | Structure of alpha-1 glycine receptor by single particle electron cryo-microscopy, glycine/ivermectin-bound state | Descriptor: | (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycine receptor subunit alphaZ1 | Authors: | Du, J, Lu, W, Wu, S.P, Cheng, Y.F, Gouaux, E. | Deposit date: | 2015-06-08 | Release date: | 2015-09-09 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.801 Å) | Cite: | Glycine receptor mechanism elucidated by electron cryo-microscopy. Nature, 526, 2015
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5DZO
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5ZFZ
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![BU of 5zfz by Molmil](/molmil-images/mine/5zfz) | Crystal structure of human DUX4 homeodomains bound to A12T DNA mutant | Descriptor: | DNA (5'-D(*CP*CP*AP*CP*TP*AP*AP*CP*CP*TP*AP*TP*TP*CP*AP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*TP*GP*AP*AP*TP*AP*GP*GP*TP*TP*AP*GP*TP*GP*G)-3'), Double homeobox protein 4-like protein 4 | Authors: | Li, Y.Y, Wu, B.X, Gan, J.H. | Deposit date: | 2018-03-07 | Release date: | 2018-10-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for multiple gene regulation by human DUX4. Biochem. Biophys. Res. Commun., 505, 2018
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6D2L
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![BU of 6d2l by Molmil](/molmil-images/mine/6d2l) | Crystal structure of human CARM1 with (S)-SKI-72 | Descriptor: | (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide, GLYCEROL, Histone-arginine methyltransferase CARM1, ... | Authors: | DONG, A, ZENG, H, WALKER, J.R, Hutchinson, A, Seitova, A, LUO, M, CAI, X.C, KE, W, WANG, J, SHI, C, ZHENG, W, LEE, J.P, IBANEZ, G, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2018-04-13 | Release date: | 2018-05-23 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion. Elife, 8, 2019
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3JAD
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![BU of 3jad by Molmil](/molmil-images/mine/3jad) | Structure of alpha-1 glycine receptor by single particle electron cryo-microscopy, strychnine-bound state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycine receptor subunit alphaZ1, STRYCHNINE | Authors: | Du, J, Lu, W, Wu, S.P, Cheng, Y.F, Gouaux, E. | Deposit date: | 2015-06-08 | Release date: | 2015-09-09 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Glycine receptor mechanism elucidated by electron cryo-microscopy. Nature, 526, 2015
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5DZN
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![BU of 5dzn by Molmil](/molmil-images/mine/5dzn) | human T-cell immunoglobulin and mucin domain protein 4 | Descriptor: | T-cell immunoglobulin and mucin domain-containing protein 4 | Authors: | Yuan, S, Rao, Z, Wang, X. | Deposit date: | 2015-09-25 | Release date: | 2015-11-25 | Last modified: | 2016-02-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | TIM-1 acts a dual-attachment receptor for Ebolavirus by interacting directly with viral GP and the PS on the viral envelope. Protein Cell, 6, 2015
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6FZB
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![BU of 6fzb by Molmil](/molmil-images/mine/6fzb) | AadA in complex with ATP, magnesium and streptomycin | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kanchugal P, S, Selmer, M. | Deposit date: | 2018-03-14 | Release date: | 2018-06-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural mechanism of AadA, a dual-specificity aminoglycoside adenylyltransferase fromSalmonella enterica. J. Biol. Chem., 293, 2018
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6C2I
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![BU of 6c2i by Molmil](/molmil-images/mine/6c2i) | |
2OYS
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![BU of 2oys by Molmil](/molmil-images/mine/2oys) | Crystal Structure of SP1951 protein from Streptococcus pneumoniae in complex with FMN, Northeast Structural Genomics Target SpR27 | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, Hypothetical protein SP1951 | Authors: | Forouhar, F, Lee, I, Vorobiev, S.M, Janjua, H, Satterwhite, R, Liu, J, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-02-22 | Release date: | 2007-03-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Functional insights from structural genomics. J.Struct.Funct.Genom., 8, 2007
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6K7O
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![BU of 6k7o by Molmil](/molmil-images/mine/6k7o) | Complex structure of LILRB4 and h128-3 antibody | Descriptor: | Leukocyte immunoglobulin-like receptor subfamily B member 4, h128-3 Fab heavy chain, h128-3 Fab light chain | Authors: | Song, H, Chai, Y, Xu, X, Gao, F.G. | Deposit date: | 2019-06-08 | Release date: | 2019-07-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.004 Å) | Cite: | Disrupting LILRB4/APOE Interaction by an Efficacious Humanized Antibody Reverses T-cell Suppression and Blocks AML Development. Cancer Immunol Res, 7, 2019
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5ZFW
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![BU of 5zfw by Molmil](/molmil-images/mine/5zfw) | Crystal structure of human DUX4 homeodomains bound to A11G DNA mutant | Descriptor: | DNA (5'-D(*CP*CP*AP*CP*TP*AP*AP*CP*CP*TP*GP*AP*TP*CP*AP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*TP*GP*AP*TP*CP*AP*GP*GP*TP*TP*AP*GP*TP*GP*G)-3'), Double homeobox protein 4-like protein 4 | Authors: | Li, Y.Y, Wu, B.X, Gan, J.H. | Deposit date: | 2018-03-07 | Release date: | 2018-10-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.103 Å) | Cite: | Structural basis for multiple gene regulation by human DUX4. Biochem. Biophys. Res. Commun., 505, 2018
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5ZFY
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![BU of 5zfy by Molmil](/molmil-images/mine/5zfy) | Crystal structure of human DUX4 homeodomains bound to A12C DNA mutant | Descriptor: | DNA (5'-D(*CP*CP*AP*CP*TP*AP*AP*CP*CP*TP*AP*CP*TP*CP*AP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*TP*GP*AP*GP*TP*AP*GP*GP*TP*TP*AP*GP*TP*GP*G)-3'), Double homeobox protein 4-like protein 4 | Authors: | Li, Y.Y, Wu, B.X, Gan, J.H. | Deposit date: | 2018-03-07 | Release date: | 2018-10-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for multiple gene regulation by human DUX4. Biochem. Biophys. Res. Commun., 505, 2018
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5Z6Z
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![BU of 5z6z by Molmil](/molmil-images/mine/5z6z) | Crystal structure of human DUX4 homeodomains bound to DNA | Descriptor: | DNA (5'-D(*CP*CP*AP*CP*TP*AP*AP*CP*CP*TP*AP*AP*TP*CP*AP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*TP*GP*AP*TP*TP*AP*GP*GP*TP*TP*AP*GP*TP*GP*G)-3'), Double homeobox protein 4 | Authors: | Li, Y.Y, Wu, B.X, Gan, J.H. | Deposit date: | 2018-01-26 | Release date: | 2018-10-31 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Structural basis for multiple gene regulation by human DUX4. Biochem. Biophys. Res. Commun., 505, 2018
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4G20
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![BU of 4g20 by Molmil](/molmil-images/mine/4g20) | Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor | Descriptor: | 3-(5'-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | Authors: | Ciesielski, F, Sato, Y, Moras, D, Rochel, N. | Deposit date: | 2012-07-11 | Release date: | 2012-09-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor. J.Med.Chem., 55, 2012
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4WV7
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![BU of 4wv7 by Molmil](/molmil-images/mine/4wv7) | HEAT SHOCK PROTEIN 70 SUBSTRATE BINDING DOMAIN WITH COVALENTLY LINKED NOVOLACTONE | Descriptor: | (5beta,6alpha,8alpha,14alpha)-13-ethenyl-5,6-dihydroxy-14-methylpodocarp-12-en-15-oic acid, Heat shock 70 kDa protein 1A/1B | Authors: | Kirby, C.A, Baird, J, Stams, T. | Deposit date: | 2014-11-04 | Release date: | 2015-01-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | The novolactone natural product disrupts the allosteric regulation of hsp70. Chem.Biol., 22, 2015
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4PP9
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![BU of 4pp9 by Molmil](/molmil-images/mine/4pp9) | |
4G21
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![BU of 4g21 by Molmil](/molmil-images/mine/4g21) | Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor | Descriptor: | 3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-ethyl-2-propylbiphenyl-4-yl)pentan-3-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | Authors: | Ciesielski, F, Sato, Y, Moras, D, Rochel, N. | Deposit date: | 2012-07-11 | Release date: | 2012-09-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor. J.Med.Chem., 55, 2012
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4G2I
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![BU of 4g2i by Molmil](/molmil-images/mine/4g2i) | Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor | Descriptor: | (3E,5E)-6-(3-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}phenyl)-1,1,1-trifluoro-2-(trifluoromethyl)octa-3,5-dien-2-ol, Vitamin D3 receptor | Authors: | Ciesielski, F, Sato, Y, Moras, D, Rochel, N. | Deposit date: | 2012-07-12 | Release date: | 2012-09-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor. J.Med.Chem., 55, 2012
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7VJL
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![BU of 7vjl by Molmil](/molmil-images/mine/7vjl) | The crystal structure of FGFR4 kinase domain in complex with N-(5-cyano-4-((2-methoxyethyl)amino)pyridin-2-yl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxamide | Descriptor: | Fibroblast growth factor receptor 4, N-[5-(aminomethyl)-4-(2-methoxyethylamino)pyridin-2-yl]-7-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide | Authors: | Zhang, Z.M, Wang, Y.J. | Deposit date: | 2021-09-28 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.900173 Å) | Cite: | Characterization of an aromatic trifluoromethyl ketone as a new warhead for covalently reversible kinase inhibitor design. Bioorg.Med.Chem., 50, 2021
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7VNI
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![BU of 7vni by Molmil](/molmil-images/mine/7vni) | AHR-ARNT PAS-B heterodimer | Descriptor: | Ahr homolog spineless, Aryl hydrocarbon receptor nuclear translocator, SULFATE ION | Authors: | Dai, S.Y. | Deposit date: | 2021-10-11 | Release date: | 2022-04-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Structural insight into the ligand binding mechanism of aryl hydrocarbon receptor. Nat Commun, 13, 2022
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7VNA
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![BU of 7vna by Molmil](/molmil-images/mine/7vna) | drosophlia AHR PAS-B domain | Descriptor: | Ahr homolog spineless | Authors: | Dai, S.Y. | Deposit date: | 2021-10-10 | Release date: | 2022-04-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.597 Å) | Cite: | Structural insight into the ligand binding mechanism of aryl hydrocarbon receptor. Nat Commun, 13, 2022
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7VNH
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![BU of 7vnh by Molmil](/molmil-images/mine/7vnh) | |