1M52
 
 | | Crystal Structure of the c-Abl Kinase domain in complex with PD173955 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(2,6-DICHLORO-PHENYL)-8-METHYL-2-(3-METHYLSULFANYL-PHENYLAMINO)-8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ABL1 | | Authors: | Nagar, B, Bornmann, W, Pellicena, P, Schindler, T, Veach, D, Miller, W.T, Clarkson, B, Kuriyan, J. | | Deposit date: | 2002-07-08 | | Release date: | 2002-09-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structures of the Kinase Domain of c-Abl in Complex with the Small Molecule Inhibitors PD173955 and Imatinib (STI-571)
Cancer Res., 62, 2002
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3OZO
 | | Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with NGT | | Descriptor: | 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, N-acetylglucosaminidase | | Authors: | Zhang, H, Liu, T, Liu, F, Shen, X, Yang, Q. | | Deposit date: | 2010-09-27 | | Release date: | 2011-09-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with NGT
To be Published
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1G75
 | | MOLECULAR AND CRYSTAL STRUCTURE OF D(CGCGAATF5UCGCG): 5-FORMYLURIDINE/ ADENOSINE BASE-PAIRS IN B-DNA | | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*(UFR)P*CP*GP*CP*G)-3', MAGNESIUM ION, POTASSIUM ION | | Authors: | Tsunoda, M, Karino, N, Ueno, Y, Matsuda, A, Takenaka, A. | | Deposit date: | 2000-11-09 | | Release date: | 2001-02-05 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Crystallization and preliminary X-ray analysis of a DNA dodecamer containing 2'-deoxy-5-formyluridine; what is the role of magnesium cation in crystallization of Dickerson-type DNA dodecamers?
Acta Crystallogr.,Sect.D, 57, 2001
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1G6D
 | | STRUCTURE OF PEPTIDYL-D(CGCAATTGCG) IN THE PRESENCE OF ZINC IONS | | Descriptor: | PEPTIDYL-D(CGCAATTGCG), ZINC ION | | Authors: | Soler-Lopez, M, Malinina, L, Tereshko, V, Zarytova, V, Subirana, J.A. | | Deposit date: | 2000-11-04 | | Release date: | 2002-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Interaction of zinc ions with d(CGCAATTGCG) in a 2.9 A resolution X-ray structure.
J.Biol.Inorg.Chem., 7, 2002
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3GN9
 | | Crystal structure of the major pseudopilin from the type 2 secretion system of Vibrio vulnificus | | Descriptor: | CALCIUM ION, D-MALATE, Type II secretory pathway, ... | | Authors: | Korotkov, K.V, Gray, M.D, Kreger, A, Turley, S, Sandkvist, M, Hol, W.G.J. | | Deposit date: | 2009-03-16 | | Release date: | 2009-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Calcium is essential for the major pseudopilin in the type 2 secretion system.
J.Biol.Chem., 284, 2009
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1G8U
 | | MOLECULAR AND CRYSTAL STRUCTURE OF D(CGCGAATF5UCGCG):5-FORMYLURIDINE/ ADENOSINE BASE-PAIRS IN B-DNA | | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*(UFR)P*CP*GP*CP*G)-3' | | Authors: | Tsunoda, M, Karino, N, Ueno, Y, Matsuda, A, Takenaka, A. | | Deposit date: | 2000-11-21 | | Release date: | 2001-02-05 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystallization and preliminary X-ray analysis of a DNA dodecamer containing 2'-deoxy-5-formyluridine; what is the role of magnesium cation in crystallization of Dickerson-type DNA dodecamers?
Acta Crystallogr.,Sect.D, 57, 2001
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1Q5A
 | | S-shaped trans interactions of cadherins model based on fitting C-cadherin (1L3W) to 3D map of desmosomes obtained by electron tomography | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | He, W, Cowin, P, Stokes, D.L. | | Deposit date: | 2003-08-06 | | Release date: | 2003-10-07 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (30 Å) | | Cite: | Untangling Desmosomal Knots with Electron Tomography
Science, 302, 2003
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3H5S
 | | Hepatitis C virus polymerase NS5B with saccharin inhibitor | | Descriptor: | (5S)-5-tert-butyl-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-3-[8-(methylsulfonyl)-1,1-dioxido-6,7,8,9-tetrahydroisothiazolo[4,5-h]isoquinolin-3-yl]-1,5-dihydro-2H-pyrrol-2-one, RNA-directed RNA polymerase | | Authors: | Harris, S.F, Wong, A. | | Deposit date: | 2009-04-22 | | Release date: | 2009-09-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Non-nucleoside inhibitors of HCV polymerase NS5B. Part 4: structure-based design, synthesis, and biological evaluation of benzo[d]isothiazole-1,1-dioxides
Bioorg.Med.Chem.Lett., 19, 2009
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2FES
 | | Orally active thrombin inhibitors | | Descriptor: | Decapeptide Hirudin Analogue, N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({5-[(E)-AMINO(IMINO)METHYL]THIEN-2-YL}METHYL)-L-PROLINAMIDE, Thrombin heavy chain, ... | | Authors: | Hoeffken, H.W. | | Deposit date: | 2005-12-16 | | Release date: | 2006-05-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Orally active thrombin inhibitors. Part 1: optimization of the P1-moiety.
Bioorg.Med.Chem.Lett., 16, 2006
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2F2E
 | | Crystal Structure of PA1607, a Putative Transcription Factor | | Descriptor: | PA1607, SULFATE ION, alpha-D-glucopyranose | | Authors: | Sieminska, E.A, Xu, X, Zheng, H, Lunin, V, Cuff, M, Joachimiak, A, Edwards, A, Savchenko, A, Sanders, D.A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2005-11-16 | | Release date: | 2006-03-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The X-ray crystal structure of PA1607 from Pseudomonas aureginosa at 1.9 A resolution--a putative transcription factor.
Protein Sci., 16, 2007
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1N2W
 | | Solution Structure of 8OG:G mismatch containing duplex | | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(8OG)P*GP*CP*G)-3' | | Authors: | Thiviyanathan, V, Somasunderam, A.D, Hazra, T.K, Mitra, S, Gorenstein, D.G. | | Deposit date: | 2002-10-24 | | Release date: | 2002-11-13 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of a DNA Duplex Containing 8-Hydroxy-2'-Deoxyguanosine Opposite Deoxyguanosine
J.Mol.Biol., 325, 2003
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1N04
 | | Diferric chicken serum transferrin at 2.8 A resolution. | | Descriptor: | CARBONATE ION, FE (III) ION, beta-L-fucopyranose, ... | | Authors: | Guha Thakurta, P, Choudhury, D, Dasgupta, R, Dattagupta, J.K. | | Deposit date: | 2002-10-11 | | Release date: | 2003-09-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of diferric hen serum transferrin at 2.8 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
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5TT7
 | | Discovery of TAK-659, an Orally Available Investigational Inhibitor of Spleen Tyrosine Kinase (SYK) | | Descriptor: | 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-5-one, Tyrosine-protein kinase SYK | | Authors: | Yano, J, Jennings, A, Lam, B, Hoffman, I.D. | | Deposit date: | 2016-11-01 | | Release date: | 2016-11-30 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Discovery of TAK-659 an orally available investigational inhibitor of Spleen Tyrosine Kinase (SYK).
Bioorg. Med. Chem. Lett., 26, 2016
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2O9O
 | | Crystal Structure of the buffalo Secretory Signalling Glycoprotein at 2.8 A resolution | | Descriptor: | Chitinase-3-like protein 1, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Ethayathulla, A.S, Srivastava, D.B, Kumar, J, Sharma, S, Kaur, P, Singh, T.P. | | Deposit date: | 2006-12-14 | | Release date: | 2007-01-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of the buffalo secretory signalling glycoprotein at 2.8 A resolution
Acta Crystallogr.,Sect.F, 63, 2007
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1SKV
 | | Crystal Structure of D-63 from Sulfolobus Spindle Virus 1 | | Descriptor: | Hypothetical 7.5 kDa protein | | Authors: | Kraft, P, Kummel, D, Oeckinghaus, A, Gauss, G.H, Wiedenheft, B, Young, M, Lawrence, C.M. | | Deposit date: | 2004-03-05 | | Release date: | 2004-07-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of d-63 from sulfolobus spindle-shaped virus 1: surface properties of the dimeric four-helix bundle suggest an adaptor protein function
J.Virol., 78, 2004
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3OZY
 | | Crystal structure of enolase superfamily member from Bordetella bronchiseptica complexed with Mg and m-Xylarate | | Descriptor: | ACETIC ACID, D-xylaric acid, GLYCEROL, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2010-09-27 | | Release date: | 2011-09-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.2994 Å) | | Cite: | Crystal structure of enolase superfamily member from Bordetella bronchiseptica complexed with Mg and m-Xylarate
To be Published
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1JB8
 | | The Crystal Structure of an RNA/DNA Hybrid Reveals Novel Intermolecular Intercalation | | Descriptor: | 5'-D(*CP*TP*TP*TP*TP*CP*TP*TP*TP*G)-3', 5'-R(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3' | | Authors: | Han, G.W, Kopka, M.L, Langs, D, Dickerson, R.E. | | Deposit date: | 2001-06-02 | | Release date: | 2003-07-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Crystal structure of an RNADNA hybrid reveals intermolecular
intercalation: Dimer formation by base-pair swapping
Proc.Natl.Acad.Sci.USA, 100, 2003
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2GOU
 | | Structure of wild type, oxidized SYE1, an OYE homologue from S. oneidensis | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Savvides, S.N, van den Hemel, D. | | Deposit date: | 2006-04-14 | | Release date: | 2006-07-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Ligand-induced conformational changes in the capping subdomain of a bacterial old yellow enzyme homologue and conserved sequence fingerprints provide new insights into substrate binding.
J.Biol.Chem., 281, 2006
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1N8W
 | | Biochemical and Structural Studies of Malate Synthase from Mycobacterium tuberculosis | | Descriptor: | COENZYME A, D-MALATE, GLYOXYLIC ACID, ... | | Authors: | Smith, C.V, Huang, C.C, Miczak, A, Russell, D.G, Sacchettini, J.C, Honer zu Bentrup, K, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2002-11-21 | | Release date: | 2002-12-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Biochemical and structural studies of malate synthase from Mycobacterium tuberculosis
J.Biol.Chem., 278, 2003
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3U82
 | | Binding of herpes simplex virus glycoprotein D to nectin-1 exploits host cell adhesion | | Descriptor: | Envelope glycoprotein D, Poliovirus receptor-related protein 1 | | Authors: | Zhang, N, Yan, J, Lu, G, Guo, Z, Fan, Z, Wang, J, Shi, Y, Qi, J, Gao, G.F. | | Deposit date: | 2011-10-15 | | Release date: | 2012-03-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.164 Å) | | Cite: | Binding of herpes simplex virus glycoprotein D to nectin-1 exploits host cell adhesion.
Nat Commun, 2, 2011
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1G8V
 | | MOLECULAR AND CRYSTAL STRUCTURE OF D(CGCGAATF5UCGCG):5-FORMYLURIDINE/ ADENOSINE BASE-PAIRS IN B-DNA | | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*(UFR)P*CP*GP*CP*G)-3' | | Authors: | Tsunoda, M, Karino, N, Ueno, Y, Matsuda, A, Takenaka, A. | | Deposit date: | 2000-11-21 | | Release date: | 2001-02-05 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystallization and preliminary X-ray analysis of a DNA dodecamer containing 2'-deoxy-5-formyluridine; what is the role of magnesium cation in crystallization of Dickerson-type DNA dodecamers?
Acta Crystallogr.,Sect.D, 57, 2001
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1LIL
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2O39
 | | Human Adenovirus type 11 knob in complex with domains SCR1 and SCR2 of CD46 (membrane cofactor protein, MCP) | | Descriptor: | CALCIUM ION, Fiber protein, Membrane cofactor protein, ... | | Authors: | Persson, D.B, Reiter, D.M, Arnberg, N, Stehle, T. | | Deposit date: | 2006-12-01 | | Release date: | 2007-01-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Adenovirus type 11 binding alters the conformation of its receptor CD46.
Nat.Struct.Mol.Biol., 14, 2007
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3HFS
 | | Structure of apo anthocyanidin reductase from vitis vinifera | | Descriptor: | Anthocyanidin reductase, CHLORIDE ION | | Authors: | Gargouri, M, Mauge, C, Langlois d'Estaintot, B, Granier, T, Manigan, C, Gallois, B. | | Deposit date: | 2009-05-12 | | Release date: | 2009-09-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.17 Å) | | Cite: | Structure and epimerase activity of anthocyanidin reductase from Vitis vinifera.
Acta Crystallogr.,Sect.D, 65, 2009
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3HGU
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