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2Y8O
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Crystal structure of human p38alpha complexed with a MAPK docking peptide
分子名称: DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 6, MITOGEN-ACTIVATED PROTEIN KINASE 14
著者Barkai, T, Garai, A, Toeroe, I, Remenyi, A.
登録日2011-02-08
公開日2012-02-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Specificity of Linear Motifs that Bind to a Common Mitogen-Activated Protein Kinase Docking Groove.
Sci. Signal, 5, 2012
3URY
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BU of 3ury by Molmil
Crystal Structure of Superantigen-like Protein, Exotoxin from Staphylococcus aureus subsp. aureus NCTC 8325
分子名称: CHLORIDE ION, Exotoxin
著者Filippova, E.V, Minasov, G, Shuvalova, L, Halavaty, A, Winsor, J, Dubrovska, I, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-11-22
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Superantigen-like Protein, Exotoxin from Staphylococcus aureus subsp. aureus NCTC 8325
To be Published
3UN6
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BU of 3un6 by Molmil
2.0 Angstrom Crystal Structure of Ligand Binding Component of ABC-type Import System from Staphylococcus aureus with Zinc bound
分子名称: ABC transporter substrate-binding protein, PHOSPHATE ION, ZINC ION
著者Minasov, G, Wawrzak, Z, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Kiryukhina, O, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-11-15
公開日2011-12-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献2.0 Angstrom Crystal Structure of Ligand Binding Component of ABC-type Import System from Staphylococcus aureus with Zinc bound.
TO BE PUBLISHED
3V05
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BU of 3v05 by Molmil
2.4 Angstrom Crystal Structure of Superantigen-like Protein from Staphylococcus aureus.
分子名称: CHLORIDE ION, Superantigen-like Protein
著者Minasov, G, Halavaty, A, Shuvalova, L, Filippova, E.V, Dubrovska, I, Winsor, J, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-12-07
公開日2011-12-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献2.4 Angstrom Crystal Structure of Superantigen-like Protein from Staphylococcus aureus.
TO BE PUBLISHED
2YIX
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BU of 2yix by Molmil
Triazolopyridine Inhibitors of p38
分子名称: 1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea, MITOGEN-ACTIVATED PROTEIN KINASE 14
著者Millan, D.S, Anderson, M, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Han, s, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthawaite, R.A, Mahke, A, Marr, E, Mathias, J.P, Philip, J, Phillips, C, Smith, R.T, Stefaniak, M.H, Yeadon, M.
登録日2011-05-17
公開日2011-11-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease.
J.Med.Chem., 54, 2011
2YIS
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BU of 2yis by Molmil
triazolopyridine inhibitors of p38 kinase.
分子名称: 1-[3-tert-butyl-1-(3-chloro-4-hydroxyphenyl)-1H-pyrazol-5-yl]-3-{2-[(3-{2-[(2-hydroxyethyl)sulfanyl]phenyl}[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]benzyl}urea, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, MITOGEN-ACTIVATED PROTEIN KINASE 14
著者Millan, D.S, Anderson, M, Bazin, R, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthwaite, R.A, Mahnke, A, Mathais, J.P, Philip, J, Phillips, C, Smith, R.T, Stefaniack, M.H, Yeadon, M.
登録日2011-05-16
公開日2011-11-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease.
J.Med.Chem., 54, 2011
3UUW
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BU of 3uuw by Molmil
1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (MviM) from Clostridium difficile.
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Minasov, G, Wawrzak, Z, Kudritska, M, Grimshaw, S, Papazisi, L, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-11-28
公開日2011-12-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (MviM) from Clostridium difficile.
TO BE PUBLISHED
3BE9
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BU of 3be9 by Molmil
Structure-based design and synthesis of novel macrocyclic pyrazolo[1,5-a] [1,3,5]triazine compounds as potent inhibitors of protein kinase CK2 and their anticancer activities
分子名称: 19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one, Casein kinase II subunit alpha
著者Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Lu, J, Averill, A, Almassy, R, Chu, S.
登録日2007-11-16
公開日2008-11-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design and synthesis of novel macrocyclic pyrazolo[1,5-a] [1,3,5]triazine compounds as potent inhibitors of protein kinase CK2 and their anticancer activities.
Bioorg.Med.Chem.Lett., 18, 2008
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2023-08-30
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
3MVL
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BU of 3mvl by Molmil
P38 Alpha Map Kinase complexed with pyrrolotriazine inhibitor 7K
分子名称: 4-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14
著者Sack, J.S.
登録日2010-05-04
公開日2010-10-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of 4-(5-(Cyclopropylcarbamoyl)-2-Methylphenylamino)-5-Methyl-Npropylpyrrolo[1,2-F][1,2,4] Triazine-6-Carboxamide (Bms-582949), a Clinical P38 Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
J.Med.Chem., 53, 2010
3UWQ
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BU of 3uwq by Molmil
1.80 Angstrom resolution crystal structure of orotidine 5'-phosphate decarboxylase from Vibrio cholerae O1 biovar eltor str. N16961 in complex with uridine-5'-monophosphate (UMP)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, DI(HYDROXYETHYL)ETHER, ...
著者Halavaty, A.S, Minasov, G, Winsor, J, Shuvalova, L, Kuhn, M, Filippova, E.V, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-12-02
公開日2011-12-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献1.80 Angstrom resolution crystal structure of orotidine 5'-phosphate decarboxylase from Vibrio cholerae O1 biovar eltor str. N16961 in complex with uridine-5'-monophosphate (UMP)
To be Published
3BV2
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BU of 3bv2 by Molmil
Morpholino pyrrolotriazine P38 Alpha map kinase inhibitor compound 30
分子名称: 5-methyl-4-[(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)amino]-N-(1-phenylethenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14
著者Sack, J.S.
登録日2008-01-04
公開日2008-04-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38 alpha MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3UPD
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BU of 3upd by Molmil
2.9 Angstrom Crystal Structure of Ornithine Carbamoyltransferase (ArgF) from Vibrio vulnificus
分子名称: Ornithine carbamoyltransferase
著者Minasov, G, Halavaty, A, Shuvalova, L, Winsor, J, Dubrovska, I, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-11-17
公開日2011-12-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献2.9 Angstrom Crystal Structure of Ornithine Carbamoyltransferase (ArgF) from Vibrio vulnificus.
TO BE PUBLISHED
3BX5
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BU of 3bx5 by Molmil
P38 alpha map kinase complexed with BMS-640994
分子名称: Mitogen-activated protein kinase 14, N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1R)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide
著者Sack, J.S.
登録日2008-01-11
公開日2008-04-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The discovery of (R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbamoyl)phenyl) thiazole-5-carboxamide (BMS-640994)-A potent and efficacious p38alpha MAP kinase inhibitor
Bioorg.Med.Chem.Lett., 18, 2008
3V4G
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1.60 Angstrom resolution crystal structure of an arginine repressor from Vibrio vulnificus CMCP6
分子名称: Arginine repressor
著者Halavaty, A.S, Minasov, G, Filippova, E, Shuvalova, L, Winsor, J, Dubrovska, I, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-12-14
公開日2012-01-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献1.60 Angstrom resolution crystal structure of an arginine repressor from Vibrio vulnificus CMCP6
To be Published
3UPB
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BU of 3upb by Molmil
1.5 Angstrom Resolution Crystal Structure of Transaldolase from Francisella tularensis in Covalent Complex with Arabinose-5-Phosphate
分子名称: ARABINOSE-5-PHOSPHATE, DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, ...
著者Light, S.H, Minasov, G, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-11-17
公開日2011-11-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Arabinose 5-phosphate covalently inhibits transaldolase.
J.Struct.Funct.Genom., 15, 2014
3BV3
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BU of 3bv3 by Molmil
Morpholino pyrrolotriazine P38 Alpha Map Kinase inhibitor compound 2
分子名称: 5-methyl-4-[(2-methyl-5-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14
著者Sack, J.S.
登録日2008-01-04
公開日2008-04-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38 alpha MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3V4H
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BU of 3v4h by Molmil
Crystal structure of a type VI secretion system effector from Yersinia pestis
分子名称: hypothetical protein
著者Filippova, E.V, Halavaty, A, Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-12-14
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of a type VI secretion system effector from Yersinia pestis
To be Published
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
3VCZ
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1.80 Angstrom resolution crystal structure of a putative translation initiation inhibitor from Vibrio vulnificus CMCP6
分子名称: CALCIUM ION, Endoribonuclease L-PSP, GLYCEROL, ...
著者Halavaty, A.S, Minasov, G, Filippova, E.V, Dubrovska, I, Winsor, J, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-01-04
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献1.80 Angstrom resolution crystal structure of a putative translation initiation inhibitor from Vibrio vulnificus CMCP6
To be Published
3CTQ
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Structure of MAP kinase p38 in complex with a 1-o-tolyl-1,2,3-triazole-4-carboxamide
分子名称: Mitogen-activated protein kinase 14, N-benzyl-1-[5-({5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl}carbamoyl)-2-methylphenyl]-1H-1,2,3-triazole-4-carboxamide
著者Qian, K.
登録日2008-04-14
公開日2008-05-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-based design and subsequent optimization of 2-tolyl-(1,2,3-triazol-1-yl-4-carboxamide) inhibitors of p38 MAP kinase.
Bioorg.Med.Chem.Lett., 18, 2008
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
3F0A
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Structure of a putative n-acetyltransferase (ta0374) in complex with acetyl-coa from thermoplasma acidophilum
分子名称: ACETYL COENZYME *A, CHLORIDE ION, N-ACETYLTRANSFERASE, ...
著者Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
登録日2008-10-24
公開日2008-11-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the novel PaiA N-acetyltransferase from Thermoplasma acidophilum involved in the negative control of sporulation and degradative enzyme production.
Proteins, 79, 2011

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