3DR1
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![BU of 3dr1 by Molmil](/molmil-images/mine/3dr1) | Side-chain fluorine atoms of non-steroidal vitamin D3 analogs stabilize helix 12 of vitamin D receptor | Descriptor: | (1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol, MAGNESIUM ION, SRC-1 (LXXLL motif) from Nuclear receptor coactivator 1, ... | Authors: | Sato, Y, Rochel, N, Moras, D. | Deposit date: | 2008-07-10 | Release date: | 2009-06-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Superagonistic fluorinated vitamin D3 analogs stabilize helix 12 of the vitamin D receptor. Chem.Biol., 15, 2008
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3DZJ
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![BU of 3dzj by Molmil](/molmil-images/mine/3dzj) | Crystal structure of human CD38 extracellular domain E226Q mutant, NMN complex | Descriptor: | ADP-ribosyl cyclase 1, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | Authors: | Liu, Q, Kriksunov, I.A, Jiang, H, Graeff, R, Lin, H, Lee, H.C, Hao, Q. | Deposit date: | 2008-07-29 | Release date: | 2008-11-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38. Chem.Biol., 15, 2008
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3DVU
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![BU of 3dvu by Molmil](/molmil-images/mine/3dvu) | |
3E17
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![BU of 3e17 by Molmil](/molmil-images/mine/3e17) | Crystal structure of the second PDZ domain from human Zona Occludens-2 | Descriptor: | Tight junction protein ZO-2 | Authors: | Chen, H, Tong, S.L, Teng, M.K, Niu, L.W. | Deposit date: | 2008-08-01 | Release date: | 2009-07-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of the second PDZ domain from human zonula occludens 2 Acta Crystallogr.,Sect.F, 65, 2009
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3GTJ
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![BU of 3gtj by Molmil](/molmil-images/mine/3gtj) | Backtracked RNA polymerase II complex with 13mer RNA | Descriptor: | DNA (28-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ... | Authors: | Wang, D, Bushnell, D.A, Huang, X, Westover, K.D, Levitt, M, Kornberg, R.D. | Deposit date: | 2009-03-27 | Release date: | 2009-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.42 Å) | Cite: | Structural basis of transcription: backtracked RNA polymerase II at 3.4 angstrom resolution. Science, 324, 2009
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3GS0
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![BU of 3gs0 by Molmil](/molmil-images/mine/3gs0) | Human transthyretin (TTR) complexed with (S)-3-(9H-fluoren-9-ylideneaminooxy)-2-methylpropanoic acid (inhibitor 16) | Descriptor: | (2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid, Transthyretin | Authors: | Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C. | Deposit date: | 2009-03-26 | Release date: | 2009-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis. Plos One, 4, 2009
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3GSX
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![BU of 3gsx by Molmil](/molmil-images/mine/3gsx) | Crystal structure of the binary complex between HLA-A2 and HCMV NLV-T8V peptide variant | Descriptor: | Beta-2-microglobulin, HCMV pp65 fragment 495-503, variant T8V (NLVPMVAVV), ... | Authors: | Reiser, J.-B, Saulquin, X, Gras, S, Debeaupuis, E, Echasserieau, K, Kissenpfennig, A, Legoux, F, Chouquet, A, Le Gorrec, M, Machillot, P, Neveu, B, Thielens, N, Malissen, B, Bonneville, M, Housset, D. | Deposit date: | 2009-03-27 | Release date: | 2009-08-04 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural bases for the affinity-driven selection of a public TCR against a dominant human cytomegalovirus epitope. J.Immunol., 183, 2009
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3GU5
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![BU of 3gu5 by Molmil](/molmil-images/mine/3gu5) | |
3H1V
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![BU of 3h1v by Molmil](/molmil-images/mine/3h1v) | Human glucokinase in complex with a synthetic activator | Descriptor: | 1-({5-[4-(methylsulfonyl)phenoxy]-2-pyridin-2-yl-1H-benzimidazol-6-yl}methyl)pyrrolidine-2,5-dione, Glucokinase, SODIUM ION, ... | Authors: | Kamata, K, Takahashi, K. | Deposit date: | 2009-04-14 | Release date: | 2009-10-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | The design and optimization of a series of 2-(pyridin-2-yl)-1H-benzimidazole compounds as allosteric glucokinase activators. Bioorg.Med.Chem., 17, 2009
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3HB4
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![BU of 3hb4 by Molmil](/molmil-images/mine/3hb4) | 17beta-hydroxysteroid dehydrogenase type1 complexed with E2B | Descriptor: | 3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide, Estradiol 17-beta-dehydrogenase 1 | Authors: | Mazumdar, M, Fournier, D, Zhu, D.-W, Cadot, C, Poirier, D, Lin, S.-X. | Deposit date: | 2009-05-04 | Release date: | 2009-12-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Binary and ternary crystal structure analyses of a novel inhibitor with 17beta-HSD type 1: a lead compound for breast cancer therapy. Biochem.J., 424, 2009
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3HCC
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![BU of 3hcc by Molmil](/molmil-images/mine/3hcc) | Crystal Structure of hPNMT in Complex With anti-9-amino-5-(trifluromethyl) benzonorbornene and AdoHcy | Descriptor: | (1S,4R,9S)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L, Gee, C.L, Puri, M. | Deposit date: | 2009-05-06 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular recognition of physiological substrate noradrenaline by the adrenaline-synthesizing enzyme PNMT and factors influencing its methyltransferase activity. Biochem.J., 422, 2009
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3GQP
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![BU of 3gqp by Molmil](/molmil-images/mine/3gqp) | |
3GSW
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![BU of 3gsw by Molmil](/molmil-images/mine/3gsw) | Crystal structure of the binary complex between HLA-A2 and HCMV NLV-T8A peptide variant | Descriptor: | Beta-2-microglobulin, HCMV pp65 fragment 495-503, variant T8A (NLVPMVAAV), ... | Authors: | Reiser, J.-B, Saulquin, X, Gras, S, Debeaupuis, E, Echasserieau, K, Kissenpfennig, A, Legoux, F, Chouquet, A, Le Gorrec, M, Machillot, P, Neveu, B, Thielens, N, Malissen, B, Bonneville, M, Housset, D. | Deposit date: | 2009-03-27 | Release date: | 2009-08-04 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structural bases for the affinity-driven selection of a public TCR against a dominant human cytomegalovirus epitope. J.Immunol., 183, 2009
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3GT8
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![BU of 3gt8 by Molmil](/molmil-images/mine/3gt8) | Crystal structure of the inactive EGFR kinase domain in complex with AMP-PNP | Descriptor: | Epidermal growth factor receptor, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Jura, N, Endres, N.F, Engel, K, Deindl, S, Das, R, Lamers, M.H, Wemmer, D.E, Zhang, X, Kuriyan, J. | Deposit date: | 2009-03-27 | Release date: | 2009-07-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.955 Å) | Cite: | Mechanism for activation of the EGF receptor catalytic domain by the juxtamembrane segment. Cell(Cambridge,Mass.), 137, 2009
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3GUG
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![BU of 3gug by Molmil](/molmil-images/mine/3gug) | |
3GU8
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![BU of 3gu8 by Molmil](/molmil-images/mine/3gu8) | Crystal structure of DAPKL93G with N6-cyclopentyladenosine | Descriptor: | Death-associated protein kinase 1, N6-cyclopentyladenosine | Authors: | McNamara, L.K, Schumacher, A.M, Schavocky, J.S, Watterson, D.M, Brunzelle, J.S. | Deposit date: | 2009-03-28 | Release date: | 2010-03-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of the DAPK gatekeeper mutant with N6-modified adenosine analogs. To be Published
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3GUR
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![BU of 3gur by Molmil](/molmil-images/mine/3gur) | Crystal Structure of mu class glutathione S-transferase (GSTM2-2) in complex with glutathione and 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol (NBDHEX) | Descriptor: | 1,2-ETHANEDIOL, GLUTATHIONE, Glutathione S-transferase Mu 2, ... | Authors: | Federici, L, Lo Sterzo, C, Di Matteo, A, Scaloni, F, Federici, G, Caccuri, A.M. | Deposit date: | 2009-03-30 | Release date: | 2009-10-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for the binding of the anticancer compound 6-(7-nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol to human glutathione s-transferases Cancer Res., 69, 2009
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3G99
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![BU of 3g99 by Molmil](/molmil-images/mine/3g99) | GR DNA binding domain:Pal complex-9 | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, DNA (5'-D(*AP*AP*GP*AP*AP*CP*AP*TP*TP*TP*TP*GP*TP*TP*CP*T)-3'), ... | Authors: | Pufall, M.A, Yamamoto, K.R, Meijsing, S.H. | Deposit date: | 2009-02-13 | Release date: | 2009-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | DNA binding site sequence directs glucocorticoid receptor structure and activity. Science, 324, 2009
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3G9P
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![BU of 3g9p by Molmil](/molmil-images/mine/3g9p) | GR DNA binding domain:Sgk 16bp complex-7 | Descriptor: | DNA (5'-D(*AP*AP*GP*AP*AP*CP*AP*TP*TP*TP*TP*GP*TP*CP*CP*G)-3'), DNA (5'-D(*TP*CP*GP*GP*AP*CP*AP*AP*AP*AP*TP*GP*TP*TP*CP*T)-3'), Glucocorticoid receptor, ... | Authors: | Pufall, M.A, Yamamoto, K.R, Meijsing, S.H. | Deposit date: | 2009-02-13 | Release date: | 2009-04-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.652 Å) | Cite: | DNA binding site sequence directs glucocorticoid receptor structure and activity. Science, 324, 2009
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3G9I
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![BU of 3g9i by Molmil](/molmil-images/mine/3g9i) | GR DNA Binding domain: Pal complex-35 | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*AP*GP*AP*AP*CP*AP*TP*TP*TP*TP*GP*TP*TP*CP*T)-3'), DNA (5'-D(*TP*AP*GP*AP*AP*CP*AP*AP*AP*AP*TP*GP*TP*TP*CP*T)-3'), ... | Authors: | Pufall, M.A, Yamamoto, K.R, Meijsing, S.H. | Deposit date: | 2009-02-13 | Release date: | 2009-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | DNA binding site sequence directs glucocorticoid receptor structure and activity. Science, 324, 2009
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3GEC
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![BU of 3gec by Molmil](/molmil-images/mine/3gec) | |
3GCQ
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![BU of 3gcq by Molmil](/molmil-images/mine/3gcq) | Human P38 MAP kinase in complex with RL45 | Descriptor: | 1-{4-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2009-02-22 | Release date: | 2009-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors. J.Am.Chem.Soc., 131, 2009
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3GR4
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![BU of 3gr4 by Molmil](/molmil-images/mine/3gr4) | Activator-Bound Structure of Human Pyruvate Kinase M2 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Inglese, J, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-03-24 | Release date: | 2009-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Activator-Bound Structures of Human Pyruvate Kinase M2 to be published
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3GN7
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![BU of 3gn7 by Molmil](/molmil-images/mine/3gn7) | PARP complexed with A861696 | Descriptor: | 2-[(2S)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-7-carboxamide, Poly [ADP-ribose] polymerase 1 | Authors: | Park, C.H. | Deposit date: | 2009-03-16 | Release date: | 2010-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | PARP complexed with A861696 To be Published
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3GU4
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![BU of 3gu4 by Molmil](/molmil-images/mine/3gu4) | |