2PVH
 
 | | Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2 | | Descriptor: | Casein kinase II subunit alpha, N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-2,4-DIAMINE | | Authors: | Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S. | | Deposit date: | 2007-05-09 | | Release date: | 2008-05-13 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2.
Bioorg.Med.Chem.Lett., 17, 2007
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3BPB
 | | Crystal structure of the dimethylarginine dimethylaminohydrolase H162G adduct with S-methyl-L-thiocitrulline | | Descriptor: | N~5~-[(E)-imino(methylsulfanyl)methyl]-L-ornithine, dimethylarginine dimethylaminohydrolase | | Authors: | Monzingo, A.F, Linsky, T.W, Stone, E.M, Fast, W, Robertus, J.D. | | Deposit date: | 2007-12-18 | | Release date: | 2008-06-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Promiscuous partitioning of a covalent intermediate common in the pentein superfamily.
Chem.Biol., 15, 2008
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3CRG
 | | Crystal structure of human fibroblast growth factor-1 with mutations Glu81Ala, Glu82Asn and Lys101Ala | | Descriptor: | FORMIC ACID, GLYCEROL, Heparin-binding growth factor 1, ... | | Authors: | Meher, A.K, Honjo, E, Kuroki, R, Lee, J, Somasundaram, T, Blaber, M. | | Deposit date: | 2008-04-07 | | Release date: | 2009-02-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Engineering an improved crystal contact across a solvent-mediated interface of human fibroblast growth factor 1.
Acta Crystallogr.,Sect.F, 65, 2009
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3CQA
 | | Crystal structure of human fibroblast growth factor-1 with mutations Glu81Ala and Lys101Ala | | Descriptor: | FORMIC ACID, Heparin-binding growth factor 1, SULFATE ION | | Authors: | Meher, A.K, Honjo, E, Kuroki, R, Lee, J, Somasundaram, T, Blaber, M. | | Deposit date: | 2008-04-02 | | Release date: | 2009-04-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Engineering an improved crystal contact across a solvent-mediated interface of human fibroblast growth factor 1.
Acta Crystallogr.,Sect.F, 65, 2009
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3CRI
 | | Crystal structure of human fibroblast growth factor-1 with mutations Glu81Ser, Glu82Asn and Lys101Ala | | Descriptor: | FORMIC ACID, Heparin-binding growth factor 1, SULFATE ION | | Authors: | Meher, A.K, Honjo, E, Kuroki, R, Lee, J, Somasundaram, T, Blaber, M. | | Deposit date: | 2008-04-07 | | Release date: | 2009-02-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Engineering an improved crystal contact across a solvent-mediated interface of human fibroblast growth factor 1.
Acta Crystallogr.,Sect.F, 65, 2009
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3CRH
 | | Crystal structure of human fibroblast growth factor-1 with mutations Glu81Ser and Lys101Ala | | Descriptor: | Heparin-binding growth factor 1, SULFATE ION | | Authors: | Meher, A.K, Honjo, E, Kuroki, R, Lee, J, Somasundaram, T, Blaber, M. | | Deposit date: | 2008-04-07 | | Release date: | 2009-02-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Engineering an improved crystal contact across a solvent-mediated interface of human fibroblast growth factor 1.
Acta Crystallogr.,Sect.F, 65, 2009
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2HOG
 | | crystal structure of Chek1 in complex with inhibitor 20 | | Descriptor: | (5-{3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-1H-INDAZOL-6-YL}-2H-1,2,3-TRIAZOL-4-YL)METHANOL, Serine/threonine-protein kinase Chk1 | | Authors: | Yan, Y, Ikuta, M. | | Deposit date: | 2006-07-14 | | Release date: | 2007-04-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 3-(Indol-2-yl)indazoles as Chek1 kinase inhibitors: Optimization of potency and selectivity via substitution at C6.
Bioorg.Med.Chem.Lett., 16, 2006
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3UB5
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4OWP
 | | Crystal structure of rpn11 in a heterodimer complex with rpn8, representing the active portion of the proteasome lid. | | Descriptor: | 26S proteasome regulatory subunit RPN11, 26S proteasome regulatory subunit RPN8, ZINC ION | | Authors: | Yu, Z, Mansour, W, Nakasone, M.A, Glickman, M.H, Dvir, H. | | Deposit date: | 2014-02-03 | | Release date: | 2015-08-05 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structure of rpn11 in a heterodimer complex with rpn8, representing the active portion of the proteasome lid.In preparation.
To Be Published
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3U8W
 | | Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Triazolopyridazinone inhibitor | | Descriptor: | 3-[3-(2-chloro-6-fluorophenyl)-5-ethyl-6-oxo-5,6-dihydro[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-N-cyclopropyl-4-methylbenzamide, Mitogen-activated protein kinase 14 | | Authors: | Mohr, C, Jordan, S. | | Deposit date: | 2011-10-17 | | Release date: | 2012-08-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Identification of triazolopyridazinones as potent p38alpha inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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3S7E
 | | Crystal structure of Ara h 1 | | Descriptor: | Allergen Ara h 1, clone P41B, CHLORIDE ION | | Authors: | Chruszcz, M, Maleki, S.J, Solberg, R, Minor, W. | | Deposit date: | 2011-05-26 | | Release date: | 2011-09-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Structural and Immunologic Characterization of Ara h 1, a Major Peanut Allergen.
J.Biol.Chem., 286, 2011
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3CV0
 | | Structure of Peroxisomal Targeting Signal 1 (PTS1) binding domain of Trypanosoma brucei Peroxin 5 (TbPEX5)complexed to T. brucei Phosphoglucoisomerase (PGI) PTS1 peptide | | Descriptor: | 1,2-ETHANEDIOL, Peroxisome targeting signal 1 receptor PEX5, T. brucei PGI PTS1 peptide Ac-FNELSHL | | Authors: | Sampathkumar, P, Roach, C, Michels, P.A.M, Hol, W.G.J. | | Deposit date: | 2008-04-17 | | Release date: | 2008-06-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Insights into the recognition of peroxisomal targeting signal 1 by Trypanosoma brucei peroxin 5.
J.Mol.Biol., 381, 2008
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4MHB
 | | Structure of a putative reductase from Yersinia pestis | | Descriptor: | Putative aldo/keto reductase, SULFATE ION | | Authors: | Anderson, S.M, Wawrzak, Z, Kudritska, M, Kwon, K, Rembert, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-08-29 | | Release date: | 2013-10-16 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure of a putative reductase from Yersinia pestis
To be Published
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1YQJ
 | | Crystal Structure of p38 Alpha in Complex with a Selective Pyridazine Inhibitor | | Descriptor: | 6((S)-3-BENZYLPIPERAZIN-1-YL)-3-(NAPHTHALEN-2-YL)-4-(PYRIDIN-4-YL)PYRAZINE, Mitogen-activated protein kinase 14, SULFATE ION | | Authors: | Tamayo, N, Liao, H, Goldberg, M, Syed, R, Li, V, Powers, D, Tudor, Y, Yu, V, Wong, M.L, Henkle, B, Middelton, S, Harvey, T, Jang, G, Hungate, R, Dominguez, C. | | Deposit date: | 2005-02-01 | | Release date: | 2005-04-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and synthesis of potent pyridazine inhibitors of p38 MAP kinase.
Bioorg.Med.Chem.Lett., 15, 2005
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1YR3
 | | Escherichia coli purine nucleoside phosphorylase II, the product of the xapA gene | | Descriptor: | SULFATE ION, XANTHINE, Xanthosine phosphorylase | | Authors: | Dandanell, G, Szczepanowski, R.H, Kierdaszuk, B, Shugar, D, Bochtler, M. | | Deposit date: | 2005-02-03 | | Release date: | 2005-04-19 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Escherichia coli purine nucleoside phosphorylase II, the product of the xapA gene
J.Mol.Biol., 348, 2005
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1ZYJ
 | | Human P38 MAP Kinase in Complex with Inhibitor 1a | | Descriptor: | 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Karpusas, M, Michelotti, E.L, Springman, E.B. | | Deposit date: | 2005-06-10 | | Release date: | 2005-11-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Two classes of p38alpha MAP kinase inhibitors having a common diphenylether core but exhibiting divergent binding modes.
Bioorg.Med.Chem.Lett., 15, 2005
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1ZZ2
 | | Two Classes of p38alpha MAP Kinase Inhibitors Having a Common Diphenylether Core but Exhibiting Divergent Binding Modes | | Descriptor: | Mitogen-activated protein kinase 14, N-[3-(4-FLUOROPHENOXY)PHENYL]-4-[(2-HYDROXYBENZYL)AMINO]PIPERIDINE-1-SULFONAMIDE, octyl beta-D-glucopyranoside | | Authors: | Michelotti, E.L, Moffett, K.K, Springman, E.B, Karpusas, M. | | Deposit date: | 2005-06-13 | | Release date: | 2005-10-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Two classes of p38alpha MAP kinase inhibitors having a common diphenylether core but exhibiting divergent binding modes.
Bioorg.Med.Chem.Lett., 15, 2005
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4OMV
 | | Crystal Structure of a Putative Macrophage Growth Locus, subunit A From Francisella tularensis SCHU S4 | | Descriptor: | Macrophage growth locus, subunit A | | Authors: | Brunzelle, J.S, Wawrzak, Z, Skarina, T, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-01-27 | | Release date: | 2014-02-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal Structure of a Putative Macrophage Growth Locus, subunit A From Francisella tularensis SCHU S4
TO BE PUBLISHED
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4OHN
 | | Crystal structure of an ABC uptake transporter substrate binding protein from Streptococcus pneumoniae with Bound Histidine | | Descriptor: | ABC transporter substrate-binding protein, ACETATE ION, HISTIDINE | | Authors: | Brunzelle, J.S, Wawrzak, W, Yim, Y, Kudritska, M, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-01-17 | | Release date: | 2015-01-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Crystal structure of an ABC uptake transporter substrate binding protein from Streptococcus pneumoniae with Bound Histidine
To be Published
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1YVJ
 | | Crystal structure of the Jak3 kinase domain in complex with a staurosporine analogue | | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE, Tyrosine-protein kinase JAK3 | | Authors: | Boggon, T.J, Li, Y, Manley, P.W, Eck, M.J. | | Deposit date: | 2005-02-15 | | Release date: | 2005-05-24 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal structure of the Jak3 kinase domain in complex with a staurosporine analog
Blood, 106, 2005
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4OKG
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4OAQ
 | | Crystal structure of the R-specific Carbonyl Reductase from Candida parapsilosis ATCC 7330 | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ... | | Authors: | Aggrawal, N, Mandal, P.K, Gautham, N, Chadha, A. | | Deposit date: | 2014-01-06 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.858 Å) | | Cite: | Insights into the stereoselectivity of R-specific Carbonyl Reductase from Candida parapsilosis ATCC 7330: Biochemical Characterization and Crystal structure studies
To be Published
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4OFX
 | | Crystal Structure of a Putative Cystathionine beta-Synthase from Coxiella burnetii | | Descriptor: | Cystathionine beta-synthase, SODIUM ION | | Authors: | Brunzelle, J.S, Wawrzak, Z, Onopriyenko, O, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-01-15 | | Release date: | 2014-02-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Crystal Structure of a Putative Cystathionine beta-Synthase from Coxiella burnetii
To be Published
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4OOI
 | | Reduced HlyU from Vibrio cholerae N16961 | | Descriptor: | Transcriptional activator HlyU | | Authors: | Mukherjee, D, Datta, A.B, Chakrabarti, P. | | Deposit date: | 2014-02-03 | | Release date: | 2014-12-31 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of HlyU, the hemolysin gene transcription activator, from Vibrio cholerae N16961 and functional implications
Biochim.Biophys.Acta, 1844, 2014
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1YZ3
 | | Structure of human pnmt complexed with cofactor product adohcy and inhibitor SK&F 64139 | | Descriptor: | 7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Wu, Q, Gee, C.L, Lin, F, Martin, J.L, Grunewald, G.L, McLeish, M.J. | | Deposit date: | 2005-02-27 | | Release date: | 2006-02-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural, mutagenic, and kinetic analysis of the binding of substrates and inhibitors of human phenylethanolamine N-methyltransferase
J.Med.Chem., 48, 2005
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