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3F23
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BU of 3f23 by Molmil
Crystal structure of Zalpha in complex with d(CGGCCG)
Descriptor: DNA (5'-D(*DTP*DCP*DGP*DGP*DCP*DCP*DG)-3'), Double-stranded RNA-specific adenosine deaminase
Authors:Ha, S.C, Choi, J, Kim, K.K.
Deposit date:2008-10-28
Release date:2008-12-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The structures of non-CG-repeat Z-DNAs co-crystallized with the Z-DNA-binding domain, hZ{alpha}ADAR1
Nucleic Acids Res., 37, 2009
3FAU
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BU of 3fau by Molmil
Crystal Structure of human small-MutS related domain
Descriptor: NEDD4-binding protein 2
Authors:Kim, T.G, Kwon, T.H, Ryu, E.K, Min, K, Heo, S.-D, Song, K.M, Jun, W.J, Jung, E.
Deposit date:2008-11-18
Release date:2009-12-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Strcutral Dynamincs of the Endonuclease Small-MutS Related Domains of BCL3 binding protein
To be Published
3FB2
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BU of 3fb2 by Molmil
Crystal structure of the human brain alpha spectrin repeats 15 and 16. Northeast Structural Genomics Consortium target HR5563a.
Descriptor: Spectrin alpha chain, brain spectrin
Authors:Vorobiev, S.M, Su, M, Seetharaman, J, Shastry, R, Foote, E.L, Ciccosanti, C, Janjua, H, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-11-18
Release date:2008-11-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the human brain alpha spectrin repeats 15 and 16.
To be Published
3FJB
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BU of 3fjb by Molmil
Crystal structure of V31I mutant of Human acidic fibroblast growth factor
Descriptor: Heparin-binding growth factor 1, SULFATE ION
Authors:Blaber, M, Lee, J.
Deposit date:2008-12-14
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:The interaction between thermodynamic stability and buried free cysteines in regulating the functional half-life of fibroblast growth factor-1.
J.Mol.Biol., 393, 2009
3FCB
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BU of 3fcb by Molmil
Crystal structure of transthyretin in complex with iododiflunisal-betaAlaOH
Descriptor: N-[(2',4'-DIFLUORO-4-HYDROXY-5-IODOBIPHENYL-3-YL)CARBONYL]-BETA-ALANINE, transthyretin
Authors:Gales, L, Damas, A.M.
Deposit date:2008-11-21
Release date:2009-02-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Iodine atoms: a new molecular feature for the design of potent transthyretin fibrillogenesis inhibitors.
Plos One, 4, 2009
3FJI
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BU of 3fji by Molmil
Crystal structure of K12V/C83I/C117V mutant of Human acidic fibroblast growth factor
Descriptor: Heparin-binding growth factor 1, SULFATE ION
Authors:Blaber, M, Lee, J.
Deposit date:2008-12-14
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural basis of conserved cysteine in the fibroblast growth factor family: evidence for a vestigial half-cystine.
J.Mol.Biol., 393, 2009
3FCO
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BU of 3fco by Molmil
Crystal Structure of 11beta-Hydroxysteroid Dehydrogenase 1 (11b-HSD1) in Complex with Benzamide Inhibitor
Descriptor: Corticosteroid 11-beta-dehydrogenase isozyme 1, N-cyclopropyl-N-(cis-4-cyclopropyl-4-hydroxycyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wang, Z, Sudom, A, Walker, N.P.
Deposit date:2008-11-21
Release date:2009-12-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Optimization of novel di-substituted cyclohexylbenzamide derivatives as potent 11 beta-HSD1 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3FKI
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BU of 3fki by Molmil
12-Subunit RNA Polymerase II Refined with Zn-SAD data
Descriptor: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
Authors:Meyer, P.A, Ye, P, Suh, M.H, Zhang, M, Fu, J.
Deposit date:2008-12-16
Release date:2009-03-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.88 Å)
Cite:Structure of the 12-Subunit RNA Polymerase II Refined with the Aid of Anomalous Diffraction Data
J.Biol.Chem., 284, 2009
3FFN
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BU of 3ffn by Molmil
Crystal structure of calcium-free human gelsolin
Descriptor: Gelsolin
Authors:Chumnarnsilpa, S, Robinson, R.C, Burtnick, L.D.
Deposit date:2008-12-04
Release date:2009-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Ca2+ binding by domain 2 plays a critical role in the activation and stabilization of gelsolin.
Proc.Natl.Acad.Sci.USA, 106, 2009
3F9C
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BU of 3f9c by Molmil
Crystal structure of human plasma platelet activating factor acetylhydrolase covalently inhibited by diisopropylfluorophosphate
Descriptor: DIISOPROPYL PHOSPHONATE, Platelet-activating factor acetylhydrolase
Authors:Samanta, U, Bahnson, B.J.
Deposit date:2008-11-13
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of human group-VIIA phospholipase A2 inhibited by organophosphorus nerve agents exhibit non-aged complexes.
Biochem Pharmacol, 78, 2009
3F5U
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BU of 3f5u by Molmil
Crystal structure of the death associated protein kinase in complex with AMPPNP and Mg2+
Descriptor: Death-associated protein kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:McNamara, L.K, Watterson, D.M, Brunzelle, J.S.
Deposit date:2008-11-04
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insight into nucleotide recognition by human death-associated protein kinase.
Acta Crystallogr.,Sect.D, 65, 2009
3FI4
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BU of 3fi4 by Molmil
P38 kinase crystal structure in complex with RO4499
Descriptor: (2S)-1-{[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-2-ol, Mitogen-activated protein kinase 14
Authors:Kuglstatter, A, Knapp, M, Dunten, P.
Deposit date:2008-12-10
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity
To be Published
3FJ6
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BU of 3fj6 by Molmil
Human dihydroorotate dehydrogenase in complex with a leflunomide derivative inhibitor 2
Descriptor: (2Z)-2-cyano-N-(2,2'-dichlorobiphenyl-4-yl)-3-hydroxybut-2-enamide, ACETATE ION, Dihydroorotate dehydrogenase, ...
Authors:Heikkila, T.
Deposit date:2008-12-14
Release date:2009-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based design, synthesis, and characterization of inhibitors of human and Plasmodium falciparum dihydroorotate dehydrogenases
J.Med.Chem., 52, 2009
3FC8
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BU of 3fc8 by Molmil
Crystal structure of transthyretin in complex with iododiflunisal-betaAlaOMe
Descriptor: METHYL N-[(2',4'-DIFLUORO-4-HYDROXY-5-IODOBIPHENYL-3-YL)CARBONYL]-BETA-ALANINATE, transthyretin
Authors:Gales, L, Damas, A.M.
Deposit date:2008-11-21
Release date:2009-02-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Iodine atoms: a new molecular feature for the design of potent transthyretin fibrillogenesis inhibitors.
Plos One, 4, 2009
3FQ4
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BU of 3fq4 by Molmil
Crystal structure of the Calx-beta domain of integrin beta4
Descriptor: Integrin beta-4
Authors:Alonso-Garcia, N, Ingles-Prieto, A, de Pereda, J.M.
Deposit date:2009-01-07
Release date:2009-06-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.487 Å)
Cite:Structure of the Calx-beta domain of the integrin beta4 subunit: insights into function and cation-independent stability
Acta Crystallogr.,Sect.D, 65, 2009
3FCX
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BU of 3fcx by Molmil
Crystal structure of human esterase D
Descriptor: CALCIUM ION, MAGNESIUM ION, S-formylglutathione hydrolase
Authors:Wu, D, Li, Y, Song, G, Zhang, D, Shaw, N, Liu, Z.J.
Deposit date:2008-11-24
Release date:2008-12-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of human esterase D: a potential genetic marker of retinoblastoma
Faseb J., 23, 2009
3F1N
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BU of 3f1n by Molmil
Crystal structure of a high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains, with internally bound ethylene glycol.
Descriptor: 1,2-ETHANEDIOL, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
Authors:Scheuermann, T.H, Tomchick, D.R, Machius, M, Guo, Y, Bruick, R.K, Gardner, K.H.
Deposit date:2008-10-28
Release date:2009-01-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.479 Å)
Cite:Artificial ligand binding within the HIF2alpha PAS-B domain of the HIF2 transcription factor.
Proc.Natl.Acad.Sci.USA, 106, 2009
3F22
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BU of 3f22 by Molmil
Crystal structure of Zalpha in complex with d(CGTACG)
Descriptor: DNA (5'-D(*DTP*DCP*DGP*DTP*DAP*DCP*DG)-3'), Double-stranded RNA-specific adenosine deaminase
Authors:Ha, S.C, Choi, J, Kim, K.K.
Deposit date:2008-10-28
Release date:2008-12-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structures of non-CG-repeat Z-DNAs co-crystallized with the Z-DNA-binding domain, hZ{alpha}ADAR1
Nucleic Acids Res., 37, 2009
3F2A
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BU of 3f2a by Molmil
Crystal structure of human Pim-1 in complex with DAPPA
Descriptor: (2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl}prop-2-enoic acid, MAGNESIUM ION, Proto-oncogene serine/threonine-protein kinase Pim-1
Authors:Qian, K.
Deposit date:2008-10-29
Release date:2009-03-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Hit to lead account of the discovery of a new class of inhibitors of Pim kinases and crystallographic studies revealing an unusual kinase binding mode.
J.Med.Chem., 52, 2009
3D1V
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BU of 3d1v by Molmil
Crystal structure of human PNP complexed with 2-mercapto(3H) quinazolinone
Descriptor: 2-mercapto(3H)quinazolinone, Purine nucleoside phosphorylase, SULFATE ION
Authors:De Azevedo Jr, W.F, Basso, L.A, Santos, D.S.
Deposit date:2008-05-06
Release date:2009-07-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural studies of human purine nucleoside phosphorylase: towards a new specific empirical scoring function
Arch.Biochem.Biophys., 479, 2008
3D5R
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BU of 3d5r by Molmil
Crystal Structure of Efb-C (N138A) / C3d Complex
Descriptor: Complement C3, Fibrinogen-binding protein
Authors:Geisbrecht, B.V.
Deposit date:2008-05-16
Release date:2008-09-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Electrostatic contributions drive the interaction between Staphylococcus aureus protein Efb-C and its complement target C3d.
Protein Sci., 17, 2008
3CFM
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BU of 3cfm by Molmil
Crystal structure of the apo form of human wild-type transthyretin
Descriptor: Transthyretin
Authors:Lima, L.-M.T.R, Foguel, D, Polikarpov, I.
Deposit date:2008-03-04
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of a novel ligand binding motif in the transthyretin channel.
Bioorg.Med.Chem., 18, 2010
3CJK
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BU of 3cjk by Molmil
Crystal structure of the adduct HAH1-Cd(II)-MNK1.
Descriptor: CADMIUM ION, Copper transport protein ATOX1, Copper-transporting ATPase 1
Authors:Banci, L, Bertini, I, Calderone, V, Felli, I, Della-Malva, N, Pavelkova, A, Rosato, A.
Deposit date:2008-03-13
Release date:2008-12-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Copper(I)-mediated protein-protein interactions result from suboptimal interaction surfaces.
Biochem.J., 422, 2009
3CNK
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BU of 3cnk by Molmil
Crystal Structure of the dimerization domain of human filamin A
Descriptor: Filamin-A, SULFATE ION
Authors:Lee, B.J, Seo, M.D, Seok, S.H, Lee, S.J, Kwon, A.R, Im, H.
Deposit date:2008-03-26
Release date:2009-02-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the dimerization domain of human filamin A
Proteins, 75, 2008
3CP9
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BU of 3cp9 by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a pyridone inhibitor
Descriptor: 3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one, Vascular endothelial growth factor receptor 2
Authors:Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H.
Deposit date:2008-03-31
Release date:2008-06-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of Aryl Aminoquinazoline Pyridones as Potent, Selective, and Orally Efficacious Inhibitors of Receptor Tyrosine Kinase c-Kit.
J.Med.Chem., 51, 2008

223790

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