2H8H
 
 | | Src kinase in complex with a quinazoline inhibitor | | Descriptor: | N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Otterbein, L.R, Norman, R, Pauptit, R.A, Rowsell, S, Breed, J. | | Deposit date: | 2006-06-07 | | Release date: | 2006-11-21 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5- (tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine, a novel, highly selective, orally available, dual-specific c-Src/Abl kinase inhibitor.
J.Med.Chem., 49, 2006
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1ILR
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1IQQ
 | | Crystal Structure of Japanese pear S3-RNase | | Descriptor: | S3-RNase, beta-D-xylopyranose-(1-2)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Matsuura, T, Sakai, H, Norioka, S. | | Deposit date: | 2001-07-25 | | Release date: | 2001-11-07 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure at 1.5-A resolution of Pyrus pyrifolia pistil ribonuclease responsible for gametophytic self-incompatibility.
J.Biol.Chem., 276, 2001
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2QKX
 | | N-acetyl glucosamine 1-phosphate uridyltransferase from Mycobacterium tuberculosis complex with N-acetyl glucosamine 1-phosphate | | Descriptor: | 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, Bifunctional protein glmU | | Authors: | Zhang, Z, Squire, C.J, Baker, E.N, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2007-07-11 | | Release date: | 2008-07-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structure and function of GlmU from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 65, 2009
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3C2G
 | | Crystal complex of SYS-1/POP-1 at 2.5A resolution | | Descriptor: | Pop-1 8-residue peptide, Sys-1 protein | | Authors: | Liu, J, Phillips, B.T, Amaya, M.F, Kimble, J, Xu, W. | | Deposit date: | 2008-01-24 | | Release date: | 2008-05-20 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The C. elegans SYS-1 protein is a bona fide beta-catenin.
Dev.Cell, 14, 2008
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2GPB
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2GUO
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2GV0
 | | The structure of the orthorhombic form of soft-shelled turtle lysozyme at 1.9 angstroms resolution | | Descriptor: | Lysozyme C, SULFATE ION | | Authors: | Siritapetawee, J, Thammasirirak, S, Yuvaniyama, J, Robinson, R.C. | | Deposit date: | 2006-05-02 | | Release date: | 2007-05-08 | | Last modified: | 2025-01-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The 1.9 A X-ray structure of egg-white lysozyme from Taiwanese soft-shelled turtle (Trionyx Sinensis Wiegmann) exhibits structural differences from the standard chicken-type lysozyme.
J.Biochem., 145, 2009
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2H4L
 | | Complex of PMM/PGM with ribose 1-phosphate | | Descriptor: | 1-O-phosphono-alpha-D-ribofuranose, Phosphomannomutase/phosphoglucomutase, ZINC ION | | Authors: | Beamer, L.J. | | Deposit date: | 2006-05-24 | | Release date: | 2006-08-08 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Complexes of the enzyme phosphomannomutase/phosphoglucomutase with a slow substrate and an inhibitor.
Acta Crystallogr.,Sect.F, 62, 2006
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4HK8
 | | Crystal Structures of Mutant Endo- -1,4-xylanase II Complexed with substrate (1.15 A) and Products (1.6 A) | | Descriptor: | CITRIC ACID, Endo-1,4-beta-xylanase 2, GLYCEROL, ... | | Authors: | Langan, P, Wan, Q, Coates, L, Kovalevsky, A. | | Deposit date: | 2012-10-15 | | Release date: | 2014-01-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.151 Å) | | Cite: | X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
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2PON
 | | Solution structure of the Bcl-xL/Beclin-1 complex | | Descriptor: | Apoptosis regulator Bcl-X, Beclin-1 | | Authors: | Feng, W, Huang, S, Wu, H, Zhang, M. | | Deposit date: | 2007-04-27 | | Release date: | 2007-09-04 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Molecular Basis of Bcl-xL's Target Recognition Versatility Revealed by the Structure of Bcl-xL in Complex with the BH3 Domain of Beclin-1.
J.Mol.Biol., 372, 2007
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2PQK
 | | X-ray crystal structure of human Mcl-1 in complex with Bim BH3 | | Descriptor: | Bim BH3 peptide, Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ... | | Authors: | Bare, E, Grant, R.A, Keating, A.E. | | Deposit date: | 2007-05-02 | | Release date: | 2007-06-19 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mcl-1-Bim complexes accommodate surprising point mutations via minor structural changes.
Protein Sci., 19, 2010
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1JH5
 | | Crystal Structure of sTALL-1 of TNF family ligand | | Descriptor: | TUMOR NECROSIS FACTOR LIGAND SUPERFAMILY MEMBER 13B | | Authors: | Liu, Y, Xu, L, Opalka, N, Shu, H.-B, Zhang, G. | | Deposit date: | 2001-06-27 | | Release date: | 2002-02-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of sTALL-1 reveals a virus-like assembly of TNF family ligands.
Cell(Cambridge,Mass.), 108, 2002
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2I1B
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3KJ1
 | | Mcl-1 in complex with Bim BH3 mutant I2dA | | Descriptor: | ACETATE ION, Bcl-2-like protein 11, CHLORIDE ION, ... | | Authors: | Fire, E, Grant, R.A, Keating, A.E. | | Deposit date: | 2009-11-02 | | Release date: | 2010-02-16 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.945 Å) | | Cite: | Mcl-1-Bim complexes accommodate surprising point mutations via minor structural changes.
Protein Sci., 19, 2010
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2P7I
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3FUA
 | | L-FUCULOSE-1-PHOSPHATE ALDOLASE CRYSTAL FORM K | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, L-FUCULOSE-1-PHOSPHATE ALDOLASE, ... | | Authors: | Dreyer, M.K, Schulz, G.E. | | Deposit date: | 1996-02-14 | | Release date: | 1996-10-14 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Catalytic mechanism of the metal-dependent fuculose aldolase from Escherichia coli as derived from the structure.
J.Mol.Biol., 259, 1996
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2FRG
 | | Structure of the immunoglobulin-like domain of human TLT-1 | | Descriptor: | trem-like transcript-1 | | Authors: | Gattis, J.L, Lubkowski, J. | | Deposit date: | 2006-01-19 | | Release date: | 2006-03-14 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | The structure of the extracellular domain of triggering receptor expressed on myeloid cells like transcript-1 and evidence for a naturally occurring soluble fragment.
J.Biol.Chem., 281, 2006
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3SMQ
 | | Crystal structure of protein arginine methyltransferase 3 | | Descriptor: | 1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea, CHLORIDE ION, Protein arginine N-methyltransferase 3, ... | | Authors: | Dobrovetsky, E, Dong, A, Walker, J.R, Siarheyeva, A, Senisterra, G, Wasney, G.A, Smil, D, Bolshan, Y, Nguyen, K.T, Allali-Hassani, A, Hajian, T, Poda, G, Bountra, C, Weigelt, J, Edwards, A.M, Al-Awar, R, Brown, P.J, Schapira, M, Arrowsmith, C.H, Vedadi, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-06-28 | | Release date: | 2011-08-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | An allosteric inhibitor of protein arginine methyltransferase 3.
Structure, 20, 2012
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3BR9
 | | Crystal Structure of HCV NS5B Polymerase with a Novel Pyridazinone Inhibitor | | Descriptor: | (2R)-2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothia diazin-7-yl}oxy)propanamide, RNA-directed RNA polymerase | | Authors: | Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R. | | Deposit date: | 2007-12-21 | | Release date: | 2008-12-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 1: exploration of 7'-substitution of benzothiadiazine.
Bioorg.Med.Chem.Lett., 18, 2008
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3BSC
 | | Crystal Structure of HCV NS5B Polymerase with a Novel Pyridazinone Inhibitor | | Descriptor: | 5-hydroxy-4-(7-methoxy-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2H)-one, RNA-directed RNA polymerase | | Authors: | Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R. | | Deposit date: | 2007-12-23 | | Release date: | 2008-12-23 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 1: exploration of 7'-substitution of benzothiadiazine.
Bioorg.Med.Chem.Lett., 18, 2008
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2AOF
 | | Crystal structure analysis of HIV-1 Protease mutant V82A with a substrate analog P1-P6 | | Descriptor: | ACETIC ACID, CHLORIDE ION, PEPTIDE INHIBITOR, ... | | Authors: | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T. | | Deposit date: | 2005-08-12 | | Release date: | 2006-01-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs.
Febs J., 272, 2005
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4OF3
 | | Crystal Structure of SYG-1 D1-D2, Glycosylated | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Protein SYG-1, isoform b, ... | | Authors: | Ozkan, E, Garcia, K.C. | | Deposit date: | 2014-01-14 | | Release date: | 2014-02-19 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Extracellular Architecture of the SYG-1/SYG-2 Adhesion Complex Instructs Synaptogenesis.
Cell(Cambridge,Mass.), 156, 2014
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3BSA
 | | Crystal Structure of HCV NS5B Polymerase with a Novel Pyridazinone Inhibitor | | Descriptor: | 2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-(1,3-thiazol-5-yl)-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothia diazin-7-yl}oxy)acetamide, RNA-directed RNA polymerase | | Authors: | Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R. | | Deposit date: | 2007-12-23 | | Release date: | 2008-12-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 1: exploration of 7'-substitution of benzothiadiazine.
Bioorg.Med.Chem.Lett., 18, 2008
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2QKS
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