1IJR
 
 | | Crystal structure of LCK SH2 complexed with nonpeptide phosphotyrosine mimetic | | Descriptor: | (4-{2-ACETYLAMINO-2-[1-(3-CARBAMOYL-4-CYCLOHEXYLMETHOXY-PHENYL)-ETHYLCARBAMOYL}-ETHYL}-2-PHOSPHONO-PHENOXY)-ACETIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE LCK | | Authors: | Kawahata, N.H, Yang, M.H, Luke, G.P, Shakespeare, W.C, Sundaramoorthi, R. | | Deposit date: | 2001-04-27 | | Release date: | 2002-05-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A novel phosphotyrosine mimetic 4'-carboxymethyloxy-3'-phosphonophenylalanine (Cpp): exploitation in the design of nonpeptide inhibitors of pp60(Src) SH2 domain.
Bioorg.Med.Chem.Lett., 11, 2001
|
|
6CRE
 | | Dehaloperoxidase B in complex with 5-Br-ortho-guaiacol | | Descriptor: | 5-bromo-2-methoxyphenol, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Carey, L.M, Ghiladi, R.A. | | Deposit date: | 2018-03-17 | | Release date: | 2019-03-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Peroxidase versus Peroxygenase Activity: Substrate Substituent Effects as Modulators of Enzyme Function in the Multifunctional Catalytic Globin Dehaloperoxidase.
Biochemistry, 57, 2018
|
|
6CUN
 | |
3LNH
 | |
1INH
 | | INFLUENZA A SUBTYPE N2 NEURAMINIDASE COMPLEXED WITH AROMATIC BANA111 INHIBITOR | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID, CALCIUM ION, ... | | Authors: | Jedrzejas, M.J, Luo, M. | | Deposit date: | 1995-07-07 | | Release date: | 1996-08-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-based inhibitors of influenza virus sialidase. A benzoic acid lead with novel interaction.
J.Med.Chem., 38, 1995
|
|
1IP3
 | | G68A HUMAN LYSOZYME | | Descriptor: | LYSOZYME C, SODIUM ION, SULFATE ION | | Authors: | Takano, K, Yamagata, Y, Yutani, K. | | Deposit date: | 2001-04-20 | | Release date: | 2001-11-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Role of amino acid residues in left-handed helical conformation for the conformational stability of a protein.
Proteins, 45, 2001
|
|
3L9N
 | | crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 27 | | Descriptor: | (2S)-N~1~-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | Authors: | Huang, X. | | Deposit date: | 2010-01-05 | | Release date: | 2011-01-19 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
|
|
1IOQ
 | | STABILIZATION OF HEN EGG WHITE LYSOZYME BY A CAVITY-FILLING MUTATION | | Descriptor: | LYSOZYME C | | Authors: | Ohmura, T, Ueda, T, Ootsuka, K, Saito, M, Imoto, T. | | Deposit date: | 2001-03-28 | | Release date: | 2001-04-11 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Stabilization of hen egg white lysozyme by a cavity-filling mutation.
Protein Sci., 10, 2001
|
|
6D3B
 | | INFLUENZA VIRUS NEURAMINIDASE SUBTYPE N9 (TERN) APO FORM | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Streltsov, V.A, Schmidt, P, McKimm-Breschkin, J. | | Deposit date: | 2018-04-15 | | Release date: | 2019-01-23 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure of an Influenza A virus N9 neuraminidase with a tetrabrachion-domain stalk.
Acta Crystallogr.,Sect.F, 75, 2019
|
|
6D3L
 | | Crystal structure of unphosphorylated human PKR | | Descriptor: | Interferon-induced, double-stranded RNA-activated protein kinase | | Authors: | Erlandsen, H, Mayo, C, Robinson, V.L, Cole, J.L. | | Deposit date: | 2018-04-16 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural Basis of Protein Kinase R Autophosphorylation.
Biochemistry, 58, 2019
|
|
1IOS
 | | STABILIZATION OF HEN EGG WHITE LYSOZYME BY A CAVITY-FILLING MUTATION | | Descriptor: | LYSOZYME C | | Authors: | Ohmura, T, Ueda, T, Ootsuka, K, Saito, M, Imoto, T. | | Deposit date: | 2001-03-28 | | Release date: | 2001-04-11 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Stabilization of hen egg white lysozyme by a cavity-filling mutation.
Protein Sci., 10, 2001
|
|
3LRP
 | |
3L5J
 | | Crystal structure of FnIII domains of human GP130 (Domains 4-6) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Interleukin-6 receptor subunit beta | | Authors: | Kershaw, N.J, Zhang, J.-G, Garrett, T.P.J, Czabotar, P.E. | | Deposit date: | 2009-12-22 | | Release date: | 2010-05-12 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (3.042 Å) | | Cite: | Crystal structure of the entire ectodomain of gp130: insights into the molecular assembly of the tall cytokine receptor complexes.
J.Biol.Chem., 285, 2010
|
|
6CUK
 | |
6CVC
 | |
3L9L
 | | Crystal structure of pka with compound 36 | | Descriptor: | 5-[2-({(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl}amino)-1,3-thiazol-5-yl]-1,3-dihydro-2H-indol-2-one, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | Authors: | Huang, X. | | Deposit date: | 2010-01-05 | | Release date: | 2011-01-19 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
|
|
1IWK
 | | Putidaredoxin-Binding Stablilizes an Active Conformer of Cytochrome P450cam in its Reduced State; Crystal Structure of Mutant(112K) Cytochrome P450cam | | Descriptor: | CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Nagano, S, Shimada, H, Tarumi, A, Hishiki, T, Kimata-Ariga, Y, Egawa, T, Park, S.-Y, Adachi, S, Shiro, Y, Ishimura, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2002-05-15 | | Release date: | 2002-06-05 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Infrared spectroscopic and mutational studies on putidaredoxin-induced conformational changes in ferrous CO-P450cam
Biochemistry, 42, 2003
|
|
1IWY
 | | Crystal Structure Analysis of Human lysozyme at 170K. | | Descriptor: | CHLORIDE ION, LYSOZYME C | | Authors: | Joti, Y, Nakasako, M, Kidera, A, Go, N. | | Deposit date: | 2002-06-03 | | Release date: | 2002-09-04 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Nonlinear temperature dependence of the crystal structure of lysozyme: correlation between coordinate shifts and thermal factors.
Acta Crystallogr.,Sect.D, 58, 2002
|
|
3LD6
 | | Crystal structure of human lanosterol 14alpha-demethylase (CYP51) in complex with ketoconazole | | Descriptor: | 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Lanosterol 14-alpha demethylase, ... | | Authors: | Strushkevich, N, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-01-12 | | Release date: | 2010-02-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis of human CYP51 inhibition by antifungal azoles.
J.Mol.Biol., 397, 2010
|
|
6CSB
 | | V308E mutant of cytochrome P450 2D6 complexed with thioridazine | | Descriptor: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, ACETATE ION, Cytochrome P450 2D6, ... | | Authors: | Yang, Y.T, Fujita, K, Wang, P.F, Im, S.C, Pearl, N.M, Meagher, J, Stuckey, J, Waskell, L. | | Deposit date: | 2018-03-20 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.394 Å) | | Cite: | Characteristic conformational changes on the distal and proximal surfaces of cytochrome P450 2D6 in response to substrate binding
To Be Published
|
|
1IZE
 | | Crystal structure of Aspergillus oryzae Aspartic proteinase complexed with pepstatin | | Descriptor: | Pepstatin, alpha-D-mannopyranose, aspartic proteinase | | Authors: | Kamitori, S, Ohtaki, A, Ino, H, Takeuchi, M. | | Deposit date: | 2002-10-02 | | Release date: | 2003-03-04 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of Aspergillus oryzae aspartic proteinase and its complex with an inhibitor pepstatin at 1.9A resolution.
J.Mol.Biol., 326, 2003
|
|
3LFF
 | | Human p38 MAP Kinase in Complex with RL166 | | Descriptor: | (4-{3-tert-butyl-5-[(1,3-thiazol-2-ylcarbamoyl)amino]-1H-pyrazol-1-yl}phenyl)acetic acid, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | | Deposit date: | 2010-01-16 | | Release date: | 2011-04-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
|
|
6CXY
 | |
1J17
 | |
1J1C
 | | Binary complex structure of human tau protein kinase I with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Glycogen synthase kinase-3 beta, MAGNESIUM ION | | Authors: | Aoki, M, Yokota, T, Sugiura, I, Sasaki, C, Hasegawa, T, Okumura, C, Kohno, T, Sugio, S, Matsuzaki, T. | | Deposit date: | 2002-12-03 | | Release date: | 2003-12-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural insight into nucleotide recognition in tau-protein kinase I/glycogen synthase kinase 3 beta.
Acta Crystallogr.,Sect.D, 60, 2004
|
|
