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2PVH
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BU of 2pvh by Molmil
Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2
分子名称: Casein kinase II subunit alpha, N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-2,4-DIAMINE
著者Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S.
登録日2007-05-09
公開日2008-05-13
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
3BPB
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BU of 3bpb by Molmil
Crystal structure of the dimethylarginine dimethylaminohydrolase H162G adduct with S-methyl-L-thiocitrulline
分子名称: N~5~-[(E)-imino(methylsulfanyl)methyl]-L-ornithine, dimethylarginine dimethylaminohydrolase
著者Monzingo, A.F, Linsky, T.W, Stone, E.M, Fast, W, Robertus, J.D.
登録日2007-12-18
公開日2008-06-17
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Promiscuous partitioning of a covalent intermediate common in the pentein superfamily.
Chem.Biol., 15, 2008
3CRG
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BU of 3crg by Molmil
Crystal structure of human fibroblast growth factor-1 with mutations Glu81Ala, Glu82Asn and Lys101Ala
分子名称: FORMIC ACID, GLYCEROL, Heparin-binding growth factor 1, ...
著者Meher, A.K, Honjo, E, Kuroki, R, Lee, J, Somasundaram, T, Blaber, M.
登録日2008-04-07
公開日2009-02-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Engineering an improved crystal contact across a solvent-mediated interface of human fibroblast growth factor 1.
Acta Crystallogr.,Sect.F, 65, 2009
3CQA
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BU of 3cqa by Molmil
Crystal structure of human fibroblast growth factor-1 with mutations Glu81Ala and Lys101Ala
分子名称: FORMIC ACID, Heparin-binding growth factor 1, SULFATE ION
著者Meher, A.K, Honjo, E, Kuroki, R, Lee, J, Somasundaram, T, Blaber, M.
登録日2008-04-02
公開日2009-04-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Engineering an improved crystal contact across a solvent-mediated interface of human fibroblast growth factor 1.
Acta Crystallogr.,Sect.F, 65, 2009
3CRI
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BU of 3cri by Molmil
Crystal structure of human fibroblast growth factor-1 with mutations Glu81Ser, Glu82Asn and Lys101Ala
分子名称: FORMIC ACID, Heparin-binding growth factor 1, SULFATE ION
著者Meher, A.K, Honjo, E, Kuroki, R, Lee, J, Somasundaram, T, Blaber, M.
登録日2008-04-07
公開日2009-02-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Engineering an improved crystal contact across a solvent-mediated interface of human fibroblast growth factor 1.
Acta Crystallogr.,Sect.F, 65, 2009
3CRH
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BU of 3crh by Molmil
Crystal structure of human fibroblast growth factor-1 with mutations Glu81Ser and Lys101Ala
分子名称: Heparin-binding growth factor 1, SULFATE ION
著者Meher, A.K, Honjo, E, Kuroki, R, Lee, J, Somasundaram, T, Blaber, M.
登録日2008-04-07
公開日2009-02-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Engineering an improved crystal contact across a solvent-mediated interface of human fibroblast growth factor 1.
Acta Crystallogr.,Sect.F, 65, 2009
2HOG
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BU of 2hog by Molmil
crystal structure of Chek1 in complex with inhibitor 20
分子名称: (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
著者Yan, Y, Ikuta, M.
登録日2006-07-14
公開日2007-04-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献3-(Indol-2-yl)indazoles as Chek1 kinase inhibitors: Optimization of potency and selectivity via substitution at C6.
Bioorg.Med.Chem.Lett., 16, 2006
3UB5
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BU of 3ub5 by Molmil
Profilin:actin with a wide open nucleotide cleft
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin, cytoplasmic 1, ...
著者Porta, J.C, Borgstahl, G.E.
登録日2011-10-23
公開日2012-04-25
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for profilin-mediated actin nucleotide exchange.
J.Mol.Biol., 418, 2012
4OWP
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BU of 4owp by Molmil
Crystal structure of rpn11 in a heterodimer complex with rpn8, representing the active portion of the proteasome lid.
分子名称: 26S proteasome regulatory subunit RPN11, 26S proteasome regulatory subunit RPN8, ZINC ION
著者Yu, Z, Mansour, W, Nakasone, M.A, Glickman, M.H, Dvir, H.
登録日2014-02-03
公開日2015-08-05
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of rpn11 in a heterodimer complex with rpn8, representing the active portion of the proteasome lid.In preparation.
To Be Published
3U8W
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BU of 3u8w by Molmil
Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Triazolopyridazinone inhibitor
分子名称: 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
著者Mohr, C, Jordan, S.
登録日2011-10-17
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Identification of triazolopyridazinones as potent p38alpha inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
3S7E
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BU of 3s7e by Molmil
Crystal structure of Ara h 1
分子名称: Allergen Ara h 1, clone P41B, CHLORIDE ION
著者Chruszcz, M, Maleki, S.J, Solberg, R, Minor, W.
登録日2011-05-26
公開日2011-09-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structural and Immunologic Characterization of Ara h 1, a Major Peanut Allergen.
J.Biol.Chem., 286, 2011
3CV0
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BU of 3cv0 by Molmil
Structure of Peroxisomal Targeting Signal 1 (PTS1) binding domain of Trypanosoma brucei Peroxin 5 (TbPEX5)complexed to T. brucei Phosphoglucoisomerase (PGI) PTS1 peptide
分子名称: 1,2-ETHANEDIOL, Peroxisome targeting signal 1 receptor PEX5, T. brucei PGI PTS1 peptide Ac-FNELSHL
著者Sampathkumar, P, Roach, C, Michels, P.A.M, Hol, W.G.J.
登録日2008-04-17
公開日2008-06-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insights into the recognition of peroxisomal targeting signal 1 by Trypanosoma brucei peroxin 5.
J.Mol.Biol., 381, 2008
4MHB
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BU of 4mhb by Molmil
Structure of a putative reductase from Yersinia pestis
分子名称: Putative aldo/keto reductase, SULFATE ION
著者Anderson, S.M, Wawrzak, Z, Kudritska, M, Kwon, K, Rembert, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-08-29
公開日2013-10-16
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure of a putative reductase from Yersinia pestis
To be Published
1YQJ
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BU of 1yqj by Molmil
Crystal Structure of p38 Alpha in Complex with a Selective Pyridazine Inhibitor
分子名称: 6((S)-3-BENZYLPIPERAZIN-1-YL)-3-(NAPHTHALEN-2-YL)-4-(PYRIDIN-4-YL)PYRAZINE, Mitogen-activated protein kinase 14, SULFATE ION
著者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.
登録日2005-02-01
公開日2005-04-26
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and synthesis of potent pyridazine inhibitors of p38 MAP kinase.
Bioorg.Med.Chem.Lett., 15, 2005
1YR3
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BU of 1yr3 by Molmil
Escherichia coli purine nucleoside phosphorylase II, the product of the xapA gene
分子名称: SULFATE ION, XANTHINE, Xanthosine phosphorylase
著者Dandanell, G, Szczepanowski, R.H, Kierdaszuk, B, Shugar, D, Bochtler, M.
登録日2005-02-03
公開日2005-04-19
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Escherichia coli purine nucleoside phosphorylase II, the product of the xapA gene
J.Mol.Biol., 348, 2005
1ZYJ
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BU of 1zyj by Molmil
Human P38 MAP Kinase in Complex with Inhibitor 1a
分子名称: 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Karpusas, M, Michelotti, E.L, Springman, E.B.
登録日2005-06-10
公開日2005-11-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Two classes of p38alpha MAP kinase inhibitors having a common diphenylether core but exhibiting divergent binding modes.
Bioorg.Med.Chem.Lett., 15, 2005
1ZZ2
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BU of 1zz2 by Molmil
Two Classes of p38alpha MAP Kinase Inhibitors Having a Common Diphenylether Core but Exhibiting Divergent Binding Modes
分子名称: Mitogen-activated protein kinase 14, N-[3-(4-FLUOROPHENOXY)PHENYL]-4-[(2-HYDROXYBENZYL)AMINO]PIPERIDINE-1-SULFONAMIDE, octyl beta-D-glucopyranoside
著者Michelotti, E.L, Moffett, K.K, Springman, E.B, Karpusas, M.
登録日2005-06-13
公開日2005-10-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Two classes of p38alpha MAP kinase inhibitors having a common diphenylether core but exhibiting divergent binding modes.
Bioorg.Med.Chem.Lett., 15, 2005
4OMV
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BU of 4omv by Molmil
Crystal Structure of a Putative Macrophage Growth Locus, subunit A From Francisella tularensis SCHU S4
分子名称: Macrophage growth locus, subunit A
著者Brunzelle, J.S, Wawrzak, Z, Skarina, T, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-01-27
公開日2014-02-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal Structure of a Putative Macrophage Growth Locus, subunit A From Francisella tularensis SCHU S4
TO BE PUBLISHED
4OHN
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BU of 4ohn by Molmil
Crystal structure of an ABC uptake transporter substrate binding protein from Streptococcus pneumoniae with Bound Histidine
分子名称: ABC transporter substrate-binding protein, ACETATE ION, HISTIDINE
著者Brunzelle, J.S, Wawrzak, W, Yim, Y, Kudritska, M, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-01-17
公開日2015-01-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Crystal structure of an ABC uptake transporter substrate binding protein from Streptococcus pneumoniae with Bound Histidine
To be Published
1YVJ
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BU of 1yvj by Molmil
Crystal structure of the Jak3 kinase domain in complex with a staurosporine analogue
分子名称: (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE, Tyrosine-protein kinase JAK3
著者Boggon, T.J, Li, Y, Manley, P.W, Eck, M.J.
登録日2005-02-15
公開日2005-05-24
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structure of the Jak3 kinase domain in complex with a staurosporine analog
Blood, 106, 2005
4OKG
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BU of 4okg by Molmil
LpxC from P.aeruginosa with the inhibitor 6-(benzimidazol-1-yl)-5-[4-[2-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridyl]ethynyl]phenyl]pyridine-3-carbohydroxamic acid
分子名称: 6-(1H-benzimidazol-1-yl)-N-hydroxy-5-[4-({6-[(4-methylpiperazin-1-yl)methyl]pyridin-3-yl}ethynyl)phenyl]pyridine-3-carboxamide, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION
著者Olivier, N.B, Lahiri, S.D, Prince, D.B.
登録日2014-01-22
公開日2014-09-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Overexpression of Pseudomonas aeruginosa LpxC in the Presence of an Inhibitor in an acrB Deletion Escherichia coli strain for Structural Studies
Protein Express.Purif., 2014
4OAQ
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BU of 4oaq by Molmil
Crystal structure of the R-specific Carbonyl Reductase from Candida parapsilosis ATCC 7330
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
著者Aggrawal, N, Mandal, P.K, Gautham, N, Chadha, A.
登録日2014-01-06
公開日2015-02-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.858 Å)
主引用文献Insights into the stereoselectivity of R-specific Carbonyl Reductase from Candida parapsilosis ATCC 7330: Biochemical Characterization and Crystal structure studies
To be Published
4OFX
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BU of 4ofx by Molmil
Crystal Structure of a Putative Cystathionine beta-Synthase from Coxiella burnetii
分子名称: Cystathionine beta-synthase, SODIUM ION
著者Brunzelle, J.S, Wawrzak, Z, Onopriyenko, O, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-01-15
公開日2014-02-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal Structure of a Putative Cystathionine beta-Synthase from Coxiella burnetii
To be Published
4OOI
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BU of 4ooi by Molmil
Reduced HlyU from Vibrio cholerae N16961
分子名称: Transcriptional activator HlyU
著者Mukherjee, D, Datta, A.B, Chakrabarti, P.
登録日2014-02-03
公開日2014-12-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of HlyU, the hemolysin gene transcription activator, from Vibrio cholerae N16961 and functional implications
Biochim.Biophys.Acta, 1844, 2014
1YZ3
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Structure of human pnmt complexed with cofactor product adohcy and inhibitor SK&F 64139
分子名称: 7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Wu, Q, Gee, C.L, Lin, F, Martin, J.L, Grunewald, G.L, McLeish, M.J.
登録日2005-02-27
公開日2006-02-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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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