3HB5
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![BU of 3hb5 by Molmil](/molmil-images/mine/3hb5) | Binary and ternary crystal structures of a novel inhibitor of 17 beta-HSD type 1: a lead compound for breast cancer therapy | Descriptor: | 3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide, Estradiol 17-beta-dehydrogenase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Mazumdar, M, Lin, S.-X. | Deposit date: | 2009-05-04 | Release date: | 2009-12-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 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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3HBW
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![BU of 3hbw by Molmil](/molmil-images/mine/3hbw) | |
3HCE
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![BU of 3hce by Molmil](/molmil-images/mine/3hce) | Crystal Structure of E185D hPNMT in Complex With Octopamine and AdoHcy | Descriptor: | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-05-06 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.85 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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3GTM
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![BU of 3gtm by Molmil](/molmil-images/mine/3gtm) | Co-complex of Backtracked RNA polymerase II with TFIIS | 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 (3.8 Å) | Cite: | Structural basis of transcription: backtracked RNA polymerase II at 3.4 angstrom resolution. Science, 324, 2009
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3GXL
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![BU of 3gxl by Molmil](/molmil-images/mine/3gxl) | ALK-5 kinase complex with GW857175 | Descriptor: | N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine, TGF-beta receptor type-1 | Authors: | Smith, W, Janson, C. | Deposit date: | 2009-04-02 | Release date: | 2009-04-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design of novel quinazoline derivatives and related analogues as potent and selective ALK5 inhibitors Bioorg.Med.Chem.Lett., 19, 2009
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3GQY
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![BU of 3gqy by Molmil](/molmil-images/mine/3gqy) | Activator-Bound Structure of Human Pyruvate Kinase M2 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine, L(+)-TARTARIC ACID, ... | 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 (1.85 Å) | Cite: | Activator-Bound Structures of Human Pyruvate Kinase M2 to be published
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3GS4
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![BU of 3gs4 by Molmil](/molmil-images/mine/3gs4) | Human transthyretin (TTR) complexed with 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid (inhibitor 15) | Descriptor: | 3-[(9H-fluoren-9-ylideneamino)oxy]propanoic 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 (1.78 Å) | Cite: | Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis. Plos One, 4, 2009
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3GSN
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![BU of 3gsn by Molmil](/molmil-images/mine/3gsn) | Crystal structure of the public RA14 TCR in complex with the HCMV dominant NLV/HLA-A2 epitope | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, HCMV pp65 fragment 495-503 (NLVPMVATV), ... | Authors: | Gras, S, Saulquin, X, Reiser, J.-B, 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: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.8 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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3GU7
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![BU of 3gu7 by Molmil](/molmil-images/mine/3gu7) | |
3GUS
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![BU of 3gus by Molmil](/molmil-images/mine/3gus) | Crystal strcture of human Pi class glutathione S-transferase GSTP1-1 in complex with 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol (NBDHEX) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol, GLUTATHIONE, ... | 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 (1.53 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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3GSU
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![BU of 3gsu by Molmil](/molmil-images/mine/3gsu) | Crystal structure of the binary complex between HLA-A2 and HCMV NLV-M5T peptide variant | Descriptor: | Beta-2-microglobulin, HCMV pp65 fragment 495-503, variant M5T (NLVPTVATV), ... | 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 (1.8 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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3GU6
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![BU of 3gu6 by Molmil](/molmil-images/mine/3gu6) | |
3GUB
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![BU of 3gub by Molmil](/molmil-images/mine/3gub) | Crystal structure of DAPKL93G complexed with N6-(2-Phenylethyl)adenosine | Descriptor: | 9-alpha-L-lyxofuranosyl-N-(2-phenylethyl)-9H-purin-6-amine, Death-associated protein kinase 1, SULFATE ION | Authors: | McNamara, L.K, Schumacher, A.M, Schavocky, J.S, Watterson, D.M, Brunzelle, J.S. | Deposit date: | 2009-03-29 | Release date: | 2010-03-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Crystal structures of the DAPK gatekeeper mutant complexed with N6-modified adenosine analogs. To be Published
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3H3C
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![BU of 3h3c by Molmil](/molmil-images/mine/3h3c) | Crystal structure of PYK2 in complex with Sulfoximine-substituted trifluoromethylpyrimidine analog | Descriptor: | 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide, Protein tyrosine kinase 2 beta, SULFATE ION | Authors: | Han, S, Mistry, A. | Deposit date: | 2009-04-16 | Release date: | 2009-05-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Sulfoximine-substituted trifluoromethylpyrimidine analogs as inhibitors of proline-rich tyrosine kinase 2 (PYK2) show reduced hERG activity. Bioorg.Med.Chem.Lett., 19, 2009
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3GJX
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![BU of 3gjx by Molmil](/molmil-images/mine/3gjx) | Crystal Structure of the Nuclear Export Complex CRM1-Snurportin1-RanGTP | Descriptor: | CHLORIDE ION, Exportin-1, GTP-binding nuclear protein Ran, ... | Authors: | Monecke, T, Guettler, T, Neumann, P, Dickmanns, A, Goerlich, D, Ficner, R. | Deposit date: | 2009-03-09 | Release date: | 2009-05-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of the Nuclear Export Receptor CRM1 in Complex with Snurportin1 and RanGTP. Science, 2009
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3HAH
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![BU of 3hah by Molmil](/molmil-images/mine/3hah) | Crystal structure of human PACSIN1 F-BAR domain (C2 lattice) | Descriptor: | CALCIUM ION, human PACSIN1 F-BAR | Authors: | Wang, Q, Navarro, M.V.A.S, Peng, G, Rajashankar, K.R, Sondermann, H. | Deposit date: | 2009-05-01 | Release date: | 2009-06-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Molecular mechanism of membrane constriction and tubulation mediated by the F-BAR protein Pacsin/Syndapin. Proc.Natl.Acad.Sci.USA, 106, 2009
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3GOF
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![BU of 3gof by Molmil](/molmil-images/mine/3gof) | Calmodulin bound to peptide from macrophage nitric oxide synthase | Descriptor: | CALCIUM ION, Calmodulin, Nitric oxide synthase, ... | Authors: | Ng, H.L, Greenstein, A, Marletta, M, Wand, A.J, Alber, T. | Deposit date: | 2009-03-19 | Release date: | 2010-03-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural diversity in calmodulin recognition of nitric oxide synthases To be Published
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3GPC
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![BU of 3gpc by Molmil](/molmil-images/mine/3gpc) | Crystal structure of human Acyl-CoA synthetase medium-chain family member 2A (L64P mutation) in a complex with CoA | Descriptor: | Acyl-coenzyme A synthetase ACSM2A, COENZYME A, MAGNESIUM ION | Authors: | Pilka, E.S, Kochan, G.T, Yue, W.W, Bhatia, C, Von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2009-03-23 | Release date: | 2009-04-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural snapshots for the conformation-dependent catalysis by human medium-chain acyl-coenzyme A synthetase ACSM2A J.Mol.Biol., 388, 2009
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3GLS
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![BU of 3gls by Molmil](/molmil-images/mine/3gls) | Crystal Structure of Human SIRT3 | Descriptor: | NAD-dependent deacetylase sirtuin-3, mitochondrial, SULFATE ION, ... | Authors: | Jin, L, Wei, W, Jiang, Y, Peng, H, Cai, J, Mao, C, Dai, H, Bemis, J.E, Jirousek, M.R, Milne, J.C, Westphal, C.H, Perni, R.B. | Deposit date: | 2009-03-12 | Release date: | 2009-06-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes. J.Biol.Chem., 284, 2009
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3GQR
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![BU of 3gqr by Molmil](/molmil-images/mine/3gqr) | |
3GS7
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![BU of 3gs7 by Molmil](/molmil-images/mine/3gs7) | Human transthyretin (TTR) complexed with (E)-3-(2-methoxybenzylideneaminooxy)propanoic acid (inhibitor 13) | Descriptor: | 3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic 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 (1.8 Å) | Cite: | Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis. Plos One, 4, 2009
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3GV4
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![BU of 3gv4 by Molmil](/molmil-images/mine/3gv4) | Crystal structure of human HDAC6 zinc finger domain and ubiquitin C-terminal peptide RLRGG | Descriptor: | CALCIUM ION, Histone deacetylase 6, ZINC ION, ... | Authors: | Dong, A, Ravichandran, M, Loppnau, P, Li, Y, MacKenzie, F, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Dhe-Paganon, S, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-03-30 | Release date: | 2009-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Crystal structure of human HDAC6 zinc finger domain and ubiquitin C-terminal peptide RLRGG To be Published
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3GSO
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![BU of 3gso by Molmil](/molmil-images/mine/3gso) | Crystal structure of the binary complex between HLA-A2 and HCMV NLV peptide | Descriptor: | Beta-2-microglobulin, HCMV pp65 fragment 495-503 (NLVPMVATV), HLA class I histocompatibility antigen, ... | Authors: | Gras, S, Saulquin, X, Reiser, J.-B, 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: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.6 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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3H44
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![BU of 3h44 by Molmil](/molmil-images/mine/3h44) | |
3HAJ
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![BU of 3haj by Molmil](/molmil-images/mine/3haj) | Crystal structure of human PACSIN2 F-BAR domain (p212121 lattice) | Descriptor: | CALCIUM ION, human PACSIN2 F-BAR | Authors: | Wang, Q, Navarro, M.V.A.S, Peng, G, Rajashankar, K.R, Sondermann, H. | Deposit date: | 2009-05-01 | Release date: | 2009-06-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Molecular mechanism of membrane constriction and tubulation mediated by the F-BAR protein Pacsin/Syndapin. Proc.Natl.Acad.Sci.USA, 106, 2009
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