5TC3
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![BU of 5tc3 by Molmil](/molmil-images/mine/5tc3) | Structure of IMP dehydrogenase from Ashbya gossypii bound to ATP and GDP | Descriptor: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Fernandez-Justel, D, de Pereda, J.M, Revuelta, J.L, Buey, R.M. | Deposit date: | 2016-09-14 | Release date: | 2017-06-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.462 Å) | Cite: | A nucleotide-controlled conformational switch modulates the activity of eukaryotic IMP dehydrogenases. Sci Rep, 7, 2017
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2Q2Y
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![BU of 2q2y by Molmil](/molmil-images/mine/2q2y) | Crystal Structure of KSP in complex with Inhibitor 1 | Descriptor: | 1-{(3R,3AR)-3-[3-(4-ACETYLPIPERAZIN-1-YL)PROPYL]-8-FLUORO-3-PHENYL-3A,4-DIHYDRO-3H-PYRAZOLO[5,1-C][1,4]BENZOXAZIN-2-YL}ETHANONE, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | Authors: | Yan, Y. | Deposit date: | 2007-05-29 | Release date: | 2007-09-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Kinesin spindle protein (KSP) inhibitors. Part 8: Design and synthesis of 1,4-diaryl-4,5-dihydropyrazoles as potent inhibitors of the mitotic kinesin KSP. Bioorg.Med.Chem.Lett., 17, 2007
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2SBA
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![BU of 2sba by Molmil](/molmil-images/mine/2sba) | SOYBEAN AGGLUTININ COMPLEXED WITH 2,6-PENTASACCHARIDE | Descriptor: | CALCIUM ION, Lectin, MANGANESE (II) ION, ... | Authors: | Dessen, A, Gupta, D, Sabesan, S, Brewer, C.F, Sacchettini, J.C. | Deposit date: | 1998-12-03 | Release date: | 1998-12-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | X-ray crystal structure of the soybean agglutinin cross-linked with a biantennary analog of the blood group I carbohydrate antigen. Biochemistry, 34, 1995
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2RFN
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![BU of 2rfn by Molmil](/molmil-images/mine/2rfn) | x-ray structure of c-Met with inhibitor. | Descriptor: | 2-benzyl-5-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-3-methylpyrimidin-4(3H)-one, Hepatocyte growth factor receptor | Authors: | Bellon, S.F, Kaplan-Lefko, P, Yang, Y, Zhang, Y, Moriguchi, J, Dussault, I. | Deposit date: | 2007-10-01 | Release date: | 2007-11-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | c-Met inhibitors with novel binding mode show activity against several hereditary papillary renal cell carcinoma-related mutations. J.Biol.Chem., 283, 2008
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5UAN
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![BU of 5uan by Molmil](/molmil-images/mine/5uan) | Crystal structure of multi-domain RAR-beta-RXR-alpha heterodimer on DNA | Descriptor: | (9cis)-retinoic acid, DNA (5'-D(*CP*TP*AP*GP*GP*TP*CP*AP*AP*AP*GP*GP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*CP*CP*TP*TP*TP*GP*AP*CP*CP*TP*AP*G)-3'), ... | Authors: | Chandra, V, Wu, D, Kim, Y, Rastinejad, F. | Deposit date: | 2016-12-19 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.508 Å) | Cite: | The quaternary architecture of RAR beta-RXR alpha heterodimer facilitates domain-domain signal transmission. Nat Commun, 8, 2017
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4CBA
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![BU of 4cba by Molmil](/molmil-images/mine/4cba) | Structural of delta 1-76 CTNNBL1 in space group I222 | Descriptor: | 1,2-ETHANEDIOL, BETA-CATENIN-LIKE PROTEIN 1, SULFATE ION | Authors: | Ganesh, K, vanMaldegem, F, Telerman, S.B, Simpson, P, Johnson, C.M, Williams, R.L, Neuberger, M.S, Rada, C. | Deposit date: | 2013-10-10 | Release date: | 2013-12-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural and mutational analysis reveals that CTNNBL1 binds NLSs in a manner distinct from that of its closest armadillo-relative, karyopherin alpha. Febs Lett., 588, 2014
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3S72
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![BU of 3s72 by Molmil](/molmil-images/mine/3s72) | The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase | Descriptor: | 1H-benzimidazole-2-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Snyder, P.W, Heroux, A, Whitesides, G.W. | Deposit date: | 2011-05-26 | Release date: | 2011-10-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase. Proc.Natl.Acad.Sci.USA, 108, 2011
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3S78
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3S77
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![BU of 3s77 by Molmil](/molmil-images/mine/3s77) | The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase | Descriptor: | 1,3-thiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Snyder, P.W, Heroux, A, Whitesides, G.W. | Deposit date: | 2011-05-26 | Release date: | 2011-10-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase. Proc.Natl.Acad.Sci.USA, 108, 2011
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3F6P
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![BU of 3f6p by Molmil](/molmil-images/mine/3f6p) | Crystal Structure of unphosphorelated receiver domain of YycF | Descriptor: | Transcriptional regulatory protein yycF | Authors: | Zhao, H, Tang, L. | Deposit date: | 2008-11-06 | Release date: | 2010-03-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Preliminary crystallographic studies of the regulatory domain of response regulator YycF from an essential two-component signal transduction system. Acta Crystallogr.,Sect.F, 65, 2009
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4IJG
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![BU of 4ijg by Molmil](/molmil-images/mine/4ijg) | Crystal structure of monomeric bacteriophytochrome | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome, DI(HYDROXYETHYL)ETHER, ... | Authors: | Auldridge, M.E. | Deposit date: | 2012-12-21 | Release date: | 2013-12-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Origins of fluorescence in evolved bacteriophytochromes. J.Biol.Chem., 289, 2014
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4AQR
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![BU of 4aqr by Molmil](/molmil-images/mine/4aqr) | Crystal structure of calmodulin in complex with the regulatory domain of a plasma-membrane Ca2+-ATPase | Descriptor: | CALCIUM ION, CALCIUM-TRANSPORTING ATPASE 8, PLASMA MEMBRANE-TYPE, ... | Authors: | Tidow, H, Poulsen, L.R, Andreeva, A, Hein, K.L, Palmgren, M.G, Nissen, P. | Deposit date: | 2012-04-19 | Release date: | 2012-10-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A Bimodular Mechanism of Calcium Control in Eukaryotes Nature, 491, 2012
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459D
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![BU of 459d by Molmil](/molmil-images/mine/459d) | DNA MINOR-GROOVE RECOGNITION OF A TRIS-BENZIMIDAZOLE DRUG | Descriptor: | 2''-(4-METHOXYPHENYL)-5-(3-AMINO-1-PYRROLIDINYL)-2,5',2',5''-TRI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*(CBR)P*AP*TP*AP*TP*TP*TP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*AP*TP*GP*CP*G)-3') | Authors: | Aymami, J, Nunn, C.M, Neidle, S. | Deposit date: | 1999-03-10 | Release date: | 1999-06-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | DNA minor groove recognition of a non-self-complementary AT-rich sequence by a tris-benzimidazole ligand. Nucleic Acids Res., 27, 1999
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1WET
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![BU of 1wet by Molmil](/molmil-images/mine/1wet) | STRUCTURE OF THE PURR-GUANINE-PURF OPERATOR COMPLEX | Descriptor: | DNA (5'-D(*AP*AP*CP*GP*AP*AP*AP*AP*CP*GP*TP*TP*TP*TP*CP*GP*T )-3'), GUANINE, PROTEIN (PURINE REPRESSOR) | Authors: | Schumacher, M.A, Glasfeld, A, Zalkin, H, Brennan, R.G. | Deposit date: | 1997-04-27 | Release date: | 1997-11-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The X-ray structure of the PurR-guanine-purF operator complex reveals the contributions of complementary electrostatic surfaces and a water-mediated hydrogen bond to corepressor specificity and binding affinity. J.Biol.Chem., 272, 1997
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3S74
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1J8T
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![BU of 1j8t by Molmil](/molmil-images/mine/1j8t) | Catalytic Domain of Human Phenylalanine Hydroxylase Fe(II) | Descriptor: | FE (II) ION, PHENYLALANINE-4-HYDROXYLASE | Authors: | Andersen, O.A, Flatmark, T, Hough, E. | Deposit date: | 2001-05-22 | Release date: | 2002-05-22 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | High resolution crystal structures of the catalytic domain of human phenylalanine hydroxylase in its catalytically active Fe(II) form and binary complex with tetrahydrobiopterin. J.Mol.Biol., 314, 2001
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4ITZ
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4OQ1
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3S75
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3S76
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![BU of 3s76 by Molmil](/molmil-images/mine/3s76) | The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase | Descriptor: | 1H-imidazole-2-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Snyder, P.W, Heroux, A, Whitesides, G.W. | Deposit date: | 2011-05-26 | Release date: | 2011-10-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase. Proc.Natl.Acad.Sci.USA, 108, 2011
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3S73
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![BU of 3s73 by Molmil](/molmil-images/mine/3s73) | The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase | Descriptor: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Snyder, P.W, Heroux, A, Whitesides, G.W. | Deposit date: | 2011-05-26 | Release date: | 2011-12-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase. Proc.Natl.Acad.Sci.USA, 108, 2011
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4A6Y
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3UBW
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![BU of 3ubw by Molmil](/molmil-images/mine/3ubw) | Complex of 14-3-3 isoform epsilon, a Mlf1 phosphopeptide and a small fragment hit from a FBDD screen | Descriptor: | (3S)-pyrrolidin-3-ol, 14-3-3 protein epsilon, Myeloid leukemia factor 1, ... | Authors: | Molzan, M, Weyand, M, Rose, R, Ottmann, C. | Deposit date: | 2011-10-25 | Release date: | 2012-01-25 | Last modified: | 2012-02-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insights of the MLF1/14-3-3 interaction. Febs J., 279, 2012
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1ARB
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1OJQ
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![BU of 1ojq by Molmil](/molmil-images/mine/1ojq) | The crystal structure of C3stau2 from S. aureus | Descriptor: | ADP-RIBOSYLTRANSFERASE | Authors: | Evans, H.R, Sutton, J.M, Holloway, D.E, Ayriss, J, Shone, C.C, Acharya, K.R. | Deposit date: | 2003-07-15 | Release date: | 2003-08-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | The Crystal Structure of C3Stau2 from Staphylococcus Aureus and its Complex with Nad J.Biol.Chem., 278, 2003
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