2R0D
 
 | | Crystal Structure of Autoinhibited Form of Grp1 Arf GTPase Exchange Factor | | Descriptor: | Cytohesin-3, DI(HYDROXYETHYL)ETHER, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, ... | | Authors: | DiNitto, J.P, Delprato, A, Gabe Lee, M.T, Cronin, T.C, Huang, S, Guilherme, A, Czech, M.P, Lambright, D.G. | | Deposit date: | 2007-08-18 | | Release date: | 2007-12-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structural Basis and Mechanism of Autoregulation in 3-Phosphoinositide-Dependent Grp1 Family Arf GTPase Exchange Factors.
Mol.Cell, 28, 2007
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2R09
 | | Crystal Structure of Autoinhibited Form of Grp1 Arf GTPase Exchange Factor | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Cytohesin-3, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, ... | | Authors: | DiNitto, J.P, Delprato, A, Gabe Lee, M.T, Cronin, T.C, Huang, S, Guilherme, A, Czech, M.P, Lambright, D.G. | | Deposit date: | 2007-08-17 | | Release date: | 2007-12-04 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis and Mechanism of Autoregulation in 3-Phosphoinositide-Dependent Grp1 Family Arf GTPase Exchange Factors.
Mol.Cell, 28, 2007
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4EUU
 | | Structure of BX-795 Complexed with Human TBK1 Kinase Domain Phosphorylated on Ser172 | | Descriptor: | GLYCEROL, IODIDE ION, N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, ... | | Authors: | Ma, X, Helgason, E, Phung, Q.T, Quan, C.L, Iyer, R.S, Lee, M.W, Bowman, K.K, Starovasnik, M.A, Dueber, E.C. | | Deposit date: | 2012-04-25 | | Release date: | 2012-05-23 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular basis of Tank-binding kinase 1 activation by transautophosphorylation.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4MHA
 | | Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC1817 | | Descriptor: | 2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-(4-sulfamoylbenzyl)pyrimidine-5-carboxamide, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Zhang, W, Mciver, A, Stashko, M.A, Deryckere, D, Branchford, B.R, Hunter, D, Kireev, D.B, Miley, D.B.M, Norris-Drouin, J, Stewart, W.M, Lee, M, Sather, S, Zhou, Y, Dipaola, J.A, Machius, M, Janzen, W.P, Earp, H.S, Graham, D.K, Frye, S, Wang, X. | | Deposit date: | 2013-08-29 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Discovery of Mer specific tyrosine kinase inhibitors for the treatment and prevention of thrombosis.
J.Med.Chem., 56, 2013
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7JVV
 | | Crystal structure of human histone deacetylase 8 (HDAC8) E66D/Y306F double mutation complexed with a tetrapeptide substrate | | Descriptor: | 1,2-ETHANEDIOL, ACE-ARG-HIS-ALY-ALY-MCM, GLYCEROL, ... | | Authors: | Osko, J.D, Christianson, D.W, Decroos, C, Porter, N.J, Lee, M. | | Deposit date: | 2020-08-24 | | Release date: | 2020-12-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structural analysis of histone deacetylase 8 mutants associated with Cornelia de Lange Syndrome spectrum disorders.
J.Struct.Biol., 213, 2020
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7JVU
 | | Crystal structure of human histone deacetylase 8 (HDAC8) I45T mutation complexed with SAHA | | Descriptor: | 1,2-ETHANEDIOL, Histone deacetylase 8, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, ... | | Authors: | Osko, J.D, Christianson, D.W, Decroos, C, Porter, N.J, Lee, M. | | Deposit date: | 2020-08-24 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5004766 Å) | | Cite: | Structural analysis of histone deacetylase 8 mutants associated with Cornelia de Lange Syndrome spectrum disorders.
J.Struct.Biol., 213, 2020
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3MA2
 | | Complex membrane type-1 matrix metalloproteinase (MT1-MMP) with tissue inhibitor of metalloproteinase-1 (TIMP-1) | | Descriptor: | CALCIUM ION, Matrix metalloproteinase-14, Metalloproteinase inhibitor 1, ... | | Authors: | Grossman, M, Tworowski, D, Dym, O, Lee, M.-H, Levy, Y, Sagi, I. | | Deposit date: | 2010-03-23 | | Release date: | 2010-06-30 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The Intrinsic Protein Flexibility of Endogenous Protease Inhibitor TIMP-1 Controls Its Binding Interface and Affects Its Function.
Biochemistry, 49, 2010
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4M3Q
 | | Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC1917 | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Tyrosine-protein kinase Mer, ... | | Authors: | Zhang, W, Zhang, D, Stashko, M.A, DeRyckere, D, Hunter, D, Kireev, D.B, Miley, M, Cummings, C, Lee, M, Norris-Drouin, J, Stewart, W.M, Sather, S, Zhou, Y, Kirkpatrick, G, Machius, M, Janzen, W.P, Earp, H.S, Graham, D.K, Frye, S, Wang, X. | | Deposit date: | 2013-08-06 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.718 Å) | | Cite: | Pseudo-Cyclization through Intramolecular Hydrogen Bond Enables Discovery of Pyridine Substituted Pyrimidines as New Mer Kinase Inhibitors.
J.Med.Chem., 56, 2013
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1KF1
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4MH7
 | | Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC1896 | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, N-butyl-2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-methylpyrimidine-5-carboxamide, ... | | Authors: | Zhang, W, McIver, A, Stashko, M.A, Deryckere, D, Branchford, B.R, Hunter, D, Kireev, D.B, Miley, M.J, Norris-Drouin, J, Stewart, W.M, Lee, M, Sather, S, Zhou, Y, DiPaola, J.A, Machius, M, Janzen, W.P, Earp, H.S, Graham, D.K, Frye, S, Wang, X. | | Deposit date: | 2013-08-29 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Discovery of Mer specific tyrosine kinase inhibitors for the treatment and prevention of thrombosis.
J.Med.Chem., 56, 2013
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1K8P
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1CYZ
 | | NMR STRUCTURE OF THE GAACTGGTTC/TRI-IMIDAZOLE POLYAMIDE COMPLEX | | Descriptor: | (2-{[4-({4-[(4-FORMYLAMINO-1-METHYL-1H-IMIDAZOLE-2-CARBONYL)-AMINO]-1-METHYL-1H-IMIDAZOLE-2-CARBONYL}-AMINO)-1-METHYL-1 H-IMIDAZOLE-2-CARBONYL]-AMINO}-ETHYL)-DIMETHYL-AMMONIUM, 5'-D(*GP*AP*AP*CP*TP*GP*GP*TP*TP*C)-3' | | Authors: | Yang, X.-L, Hubbard IV, R.B, Lee, M, Tao, Z.-F, Sugiyama, H, Wang, A.H.-J. | | Deposit date: | 1999-08-31 | | Release date: | 1999-09-14 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Imidazole-imidazole pair as a minor groove recognition motif for T:G mismatched base pairs
Nucleic Acids Res., 27, 1999
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4EUT
 | | Structure of BX-795 Complexed with Unphosphorylated Human TBK1 Kinase-ULD Domain | | Descriptor: | IODIDE ION, N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, SULFATE ION, ... | | Authors: | Ma, X, Helgason, E, Phung, Q.T, Quan, C.L, Iyer, R.S, Lee, M.W, Bowman, K.K, Starovasnik, M.A, Dueber, E.C. | | Deposit date: | 2012-04-25 | | Release date: | 2012-05-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Molecular basis of Tank-binding kinase 1 activation by transautophosphorylation.
Proc.Natl.Acad.Sci.USA, 109, 2012
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1WVK
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1T2V
 | | Structural basis of phospho-peptide recognition by the BRCT domain of BRCA1, structure with phosphopeptide | | Descriptor: | BRCTide-7PS, Breast cancer type 1 susceptibility protein | | Authors: | Williams, R.S, Lee, M.S, Hau, D.D, Glover, J.N.M. | | Deposit date: | 2004-04-22 | | Release date: | 2004-05-11 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural basis of phosphopeptide recognition by the BRCT domain of BRCA1
Nat.Struct.Mol.Biol., 11, 2004
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3ITA
 | | Crystal structure of Penicillin-Binding Protein 6 (PBP6) from E. coli in acyl-enzyme complex with ampicillin | | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, D-alanyl-D-alanine carboxypeptidase dacC, ... | | Authors: | Chen, Y, Zhang, W, Shi, Q, Hesek, D, Lee, M, Mobashery, S, Shoichet, B.K. | | Deposit date: | 2009-08-27 | | Release date: | 2009-10-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of penicillin-binding protein 6 from Escherichia coli.
J.Am.Chem.Soc., 131, 2009
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3IT9
 | | Crystal structure of Penicillin-Binding Protein 6 (PBP6) from E. coli in apo state | | Descriptor: | D-alanyl-D-alanine carboxypeptidase dacC, SULFATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | | Authors: | Chen, Y, Zhang, W, Shi, Q, Hesek, D, Lee, M, Mobashery, S, Shoichet, B.K. | | Deposit date: | 2009-08-27 | | Release date: | 2009-10-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of penicillin-binding protein 6 from Escherichia coli.
J.Am.Chem.Soc., 131, 2009
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7JVW
 | | Crystal structure of human histone deacetylase 8 (HDAC8) G320R mutation complexed with M344 | | Descriptor: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, POTASSIUM ION, ... | | Authors: | Osko, J.D, Christianson, D.W, Decroos, C, Porter, N.J, Lee, M. | | Deposit date: | 2020-08-24 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.40301776 Å) | | Cite: | Structural analysis of histone deacetylase 8 mutants associated with Cornelia de Lange Syndrome spectrum disorders.
J.Struct.Biol., 213, 2020
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3ITB
 | | Crystal structure of Penicillin-Binding Protein 6 (PBP6) from E. coli in complex with a substrate fragment | | Descriptor: | D-alanyl-D-alanine carboxypeptidase DacC, Peptidoglycan substrate (AMV)A(FGA)K(DAL)(DAL), SULFATE ION, ... | | Authors: | Chen, Y, Zhang, W, Shi, Q, Hesek, D, Lee, M, Mobashery, S, Shoichet, B.K. | | Deposit date: | 2009-08-27 | | Release date: | 2009-10-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of penicillin-binding protein 6 from Escherichia coli.
J.Am.Chem.Soc., 131, 2009
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4BOL
 | | Crystal structure of AmpDh2 from Pseudomonas aeruginosa in complex with pentapeptide | | Descriptor: | AMPDH2, D-alanyl-N-[(2S,6R)-6-amino-6-carboxy-1-{[(1R)-1-carboxyethyl]amino}-1-oxohexan-2-yl]-D-glutamine, ZINC ION | | Authors: | Artola-Recolons, C, Martinez-Caballero, S, Lee, M, Carrasco-Lopez, C, Hesek, D, Spink, E.E, Lastochkin, E, Zhang, W, Hellman, L.M, Boggess, B, Mobashery, S, Hermoso, J.A. | | Deposit date: | 2013-05-21 | | Release date: | 2013-07-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Reaction Products and the X-Ray Structure of Ampdh2, a Virulence Determinant of Pseudomonas Aeruginosa.
J.Am.Chem.Soc., 135, 2013
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5DC7
 | | Crystal structure of D176A-Y306F HDAC8 in complex with a tetrapeptide substrate | | Descriptor: | Fluor-de-Lys tetrapeptide assay substrate, GLYCEROL, Histone deacetylase 8, ... | | Authors: | Decroos, C, Lee, M.S, Christianson, D.W. | | Deposit date: | 2015-08-23 | | Release date: | 2016-02-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | General Base-General Acid Catalysis in Human Histone Deacetylase 8.
Biochemistry, 55, 2016
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3TBL
 | | Structure of Mono-ubiquitinated PCNA: Implications for DNA Polymerase Switching and Okazaki Fragment Maturation | | Descriptor: | Proliferating cell nuclear antigen, Ubiquitin | | Authors: | Zhang, Z, Lee, M, Lee, E, Zhang, S. | | Deposit date: | 2011-08-07 | | Release date: | 2012-05-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.903 Å) | | Cite: | Structure of monoubiquitinated PCNA: Implications for DNA polymerase switching and Okazaki fragment maturation.
Cell Cycle, 11, 2012
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3MJM
 | | His257Ala mutant of dihydroorotase from E. coli | | Descriptor: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, Dihydroorotase, N-CARBAMOYL-L-ASPARTATE, ... | | Authors: | Ernberg, K.E, Guss, J.M, Lee, M, Maher, M.J. | | Deposit date: | 2010-04-13 | | Release date: | 2011-03-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | His257Ala mutant of dihydroorotase from E. coli
To be Published
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1ZR6
 | | The crystal structure of an Acremonium strictum glucooligosaccharide oxidase reveals a novel flavinylation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ZINC ION, ... | | Authors: | Huang, C.-H, Lai, W.-L, Lee, M.-H, Tsai, Y.-C, Liaw, S.-H. | | Deposit date: | 2005-05-19 | | Release date: | 2005-09-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structure of glucooligosaccharide oxidase from Acremonium strictum: a novel flavinylation of 6-S-cysteinyl, 8alpha-N1-histidyl FAD
J.Biol.Chem., 280, 2005
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1T2U
 | | Structural basis of phosphopeptide recognition by the BRCT domain of BRCA1: structure of BRCA1 missense variant V1809F | | Descriptor: | Breast cancer type 1 susceptibility protein, COBALT (II) ION, SULFATE ION | | Authors: | Williams, R.S, Lee, M.S, Duong, D.D, Glover, J.N.M. | | Deposit date: | 2004-04-22 | | Release date: | 2004-05-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Basis of Phosphopeptide recognition by the BRCT domain of BRCA1
Nat.Struct.Mol.Biol., 11, 2004
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