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1YVJ
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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2023-11-15
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
2ACV
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BU of 2acv by Molmil
Crystal Structure of Medicago truncatula UGT71G1
分子名称: URIDINE-5'-DIPHOSPHATE, triterpene UDP-glucosyl transferase UGT71G1
著者Shao, H, He, X, Achnine, L, Blount, J.W, Dixon, R.A, Wang, X.
登録日2005-07-19
公開日2005-11-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of a Multifunctional Triterpene/Flavonoid Glycosyltransferase from Medicago truncatula.
Plant Cell, 17, 2005
2ACW
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Crystal Structure of Medicago truncatula UGT71G1 complexed with UDP-glucose
分子名称: URIDINE-5'-DIPHOSPHATE-GLUCOSE, triterpene UDP-glucosyl transferase UGT71G1
著者Shao, H, He, X, Achnine, L, Blount, J.W, Dixon, R.A, Wang, X.
登録日2005-07-19
公開日2005-11-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structures of a Multifunctional Triterpene/Flavonoid Glycosyltransferase from Medicago truncatula.
Plant Cell, 17, 2005
2A0I
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BU of 2a0i by Molmil
F Factor TraI Relaxase Domain bound to F oriT Single-stranded DNA
分子名称: F plasmid single-stranded oriT DNA, IMIDAZOLE, MAGNESIUM ION, ...
著者Larkin, C, Datta, S, Harley, M.J, Anderson, B.J, Ebie, A, Hargreaves, V, Schildbach, J.F.
登録日2005-06-16
公開日2005-10-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Inter- and intramolecular determinants of the specificity of single-stranded DNA binding and cleavage by the f factor relaxase.
Structure, 13, 2005
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
2D4J
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Transformed monoclinic crystal of hen egg-white lysozyme from a heavy water solution
分子名称: Lysozyme C, NITRATE ION
著者Harata, K, Akiba, T.
登録日2005-10-20
公開日2006-07-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Structural phase transition of monoclinic crystals of hen egg-white lysozyme
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
3HRB
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BU of 3hrb by Molmil
p38 kinase Crystal structure in complex with small molecule inhibitor
分子名称: Mitogen-activated protein kinase 14, [3-amino-2-(2-methylphenyl)-1-oxidopyridin-4-yl](2,4-difluorophenyl)methanone
著者Segarra, V, Lumeras, W, Vidal, B, Leonard, P, Fisher, M, Lamers, M.
登録日2009-06-09
公開日2009-09-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design, synthesis, and structure-activity relationships of aminopyridine N-oxides, a novel scaffold for the potent and selective inhibition of p38 mitogen activated protein kinase
J.Med.Chem., 52, 2009
2D4K
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Monoclinic hen egg-white lysozyme crystallized at 313K
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Harata, K, Akiba, T.
登録日2005-10-20
公開日2006-07-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structural phase transition of monoclinic crystals of hen egg-white lysozyme
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
5TCO
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Human p38 MAP Kinase in Complex with Dibenzosuberone Compound 1
分子名称: 3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{N}-(2-morpholin-4-ylethyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulene-9-carboxamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Mayer-Wrangowski, S.C, Rauh, D.
登録日2016-09-15
公開日2017-04-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Optimized Target Residence Time: Type I1/2 Inhibitors for p38 alpha MAP Kinase with Improved Binding Kinetics through Direct Interaction with the R-Spine.
Angew. Chem. Int. Ed. Engl., 56, 2017
5VXN
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BU of 5vxn by Molmil
Structure of two RcsB dimers bound to two parallel DNAs.
分子名称: DNA (5'-D(*GP*AP*TP*TP*TP*AP*GP*GP*AP*AP*AP*AP*AP*TP*CP*TP*TP*AP*GP*AP*TP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*GP*GP*AP*AP*AP*AP*AP*TP*CP*TP*TP*AP*GP*A)-3'), Transcriptional regulatory protein RcsB
著者Filippova, E.V, Minasov, G, Pshenychnyi, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-05-23
公開日2018-03-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.375 Å)
主引用文献Structural Basis for DNA Recognition by the Two-Component Response Regulator RcsB.
MBio, 9, 2018
4F95
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Crystal structure of human inosine triphosphate pyrophosphatase P32T variant
分子名称: Inosine triphosphate pyrophosphatase
著者Simone, P.D, Pavlov, Y.I, Borgstahl, G.E.O.
登録日2012-05-18
公開日2013-04-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献The human ITPA polymorphic variant P32T is destabilized by the unpacking of the hydrophobic core.
J.Struct.Biol., 182, 2013
2CVF
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BU of 2cvf by Molmil
Crystal structure of the RadB recombinase
分子名称: DNA repair and recombination protein radB
著者Akiba, T, Ishii, N, Rashid, N, Morikawa, M, Imanaka, T, Harata, K.
登録日2005-06-03
公開日2005-08-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of RadB recombinase from a hyperthermophilic archaeon, Thermococcus kodakaraensis KOD1: an implication for the formation of a near-7-fold helical assembly
Nucleic Acids Res., 33, 2005
2D4I
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Monoclinic hen egg-white lysozyme crystallized at pH4.5 form heavy water solution
分子名称: Lysozyme C, NITRATE ION, SODIUM ION
著者Harata, K, Akiba, T.
登録日2005-10-20
公開日2006-07-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Structural phase transition of monoclinic crystals of hen egg-white lysozyme
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
2FQ1
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Crystal structure of the two-domain non-ribosomal peptide synthetase EntB containing isochorismate lyase and aryl-carrier protein domains
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Isochorismatase, ...
著者Drake, E.J, Nicolai, D.A, Gulick, A.M.
登録日2006-01-17
公開日2006-05-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the EntB multidomain nonribosomal peptide synthetase and functional analysis of its interaction with the EntE adenylation domain.
Chem.Biol., 13, 2006
2IDV
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BU of 2idv by Molmil
Crystal structure of wheat C113S mutant EIF4E bound TO 7-methyl-GDP
分子名称: 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Eukaryotic translation initiation factor 4E-1
著者Monzingo, A.F, Dutt-Chaudhuri, A, Sadow, J, Dhaliwal, S, Hoffman, D.W, Robertus, J.D, Browning, K.S.
登録日2006-09-15
公開日2007-06-12
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The structure of eukaryotic translation initiation factor-4E from wheat reveals a novel disulfide bond.
Plant Physiol., 143, 2007
2I0H
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BU of 2i0h by Molmil
The structure of p38alpha in complex with an arylpyridazinone
分子名称: 2-(3-{(2-CHLORO-4-FLUOROPHENYL)[1-(2-CHLOROPHENYL)-6-OXO-1,6-DIHYDROPYRIDAZIN-3-YL]AMINO}PROPYL)-1H-ISOINDOLE-1,3(2H)-DIONE, GLYCEROL, Mitogen-activated protein kinase 14
著者Natarajan, S.R, Heller, S.T, Nam, K, Singh, S.B, Scapin, G, Patel, S, Thompson, J.E, Fitzgerald, C.E, O'Keefe, S.J.
登録日2006-08-10
公開日2006-10-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献p38 MAP Kinase Inhibitors Part 6: 2-Arylpyridazin-3-ones as templates for inhibitor design.
Bioorg.Med.Chem.Lett., 16, 2006
2GAS
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BU of 2gas by Molmil
Crystal Structure of Isoflavone Reductase
分子名称: isoflavone reductase
著者Wang, X, He, X, Lin, J, Shao, H, Chang, Z, Dixon, R.A.
登録日2006-03-09
公開日2006-04-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of Isoflavone Reductase from Alfalfa (Medicago sativa L.)
J.Mol.Biol., 358, 2006
3E90
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BU of 3e90 by Molmil
West Nile vi rus NS2B-NS3protease in complexed with inhibitor Naph-KKR-H
分子名称: NS2B cofactor, NS3 protease, N~2~-(naphthalen-2-ylcarbonyl)-L-lysyl-N-[(1S)-4-carbamimidamido-1-formylbutyl]-L-lysinamide
著者Martin, J.L, Robin, G.
登録日2008-08-21
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure of West Nile virus NS3 protease: ligand stabilization of the catalytic conformation
J.Mol.Biol., 385, 2009
4GD5
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BU of 4gd5 by Molmil
X-ray Crystal Structure of a Putative Phosphate ABC Transporter Substrate-Binding Protein with Bound Phosphate from Clostridium perfringens
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Brunzelle, J.S, Wawrzak, Z, Onopriyenko, O, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-07-31
公開日2012-08-15
最終更新日2013-03-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献X-ray Crystal Structure of a Putative Phosphate ABC Transporter Substrate-Binding Protein with Bound Phosphate from Clostridium perfringens
To be Published
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
4JG9
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BU of 4jg9 by Molmil
X-ray Crystal Structure of a Putative Lipoprotein from Bacillus anthracis
分子名称: Lipoprotein
著者Brunzelle, J.S, Wawrzak, Z, Onopriyenko, O, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-02-28
公開日2013-03-20
実験手法X-RAY DIFFRACTION (2.425 Å)
主引用文献X-ray Crystal Structure of a Putative Lipoprotein from Bacillus anthracis
To be Published
2LGC
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BU of 2lgc by Molmil
Joint NMR and X-ray refinement reveals the structure of a novel dibenzo[a,d]cycloheptenone inhibitor/p38 MAP kinase complex in solution
分子名称: Mitogen-activated protein kinase 14
著者Habeck, M.
登録日2011-07-25
公開日2012-07-25
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Inferential NMR/X-ray-based structure determination of a dibenzo[a,d]cycloheptenone inhibitor-p38alpha MAP kinase complex in solution
Angew.Chem.Int.Ed.Engl., 51, 2012
4KIQ
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Crystal structure of mitogen-activated protein kinase 14 (P38-H5) complex with ETHYL 6-((5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL)CARBAMOYL)-1H-INDOLE-1-CARBOXYLATE
分子名称: Mitogen-activated protein kinase 14, ethyl 6-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl}-1H-indole-1-carboxylate
著者Sack, J.S, Tokarski, J.S.
登録日2013-05-02
公開日2013-06-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Identification of Novel P38-Alpha Isoform Selective Kinase Inhibitors Having an Unprecedented P38-Alpha Binding Mode
Bioorg.Med.Chem.Lett., 23, 2013
4KIP
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BU of 4kip by Molmil
Crystal structure of mitogen-activated protein kinase 14 (P38-H5) complex with 2-(2-CHLOROPHENYL)-N-(5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL)-1,3-THIAZOLE-5-CARBOXAMIDE
分子名称: 2-(2-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide, Mitogen-activated protein kinase 14
著者Sack, J.S, Tokarski, J.S.
登録日2013-05-02
公開日2013-06-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献The Identification of Novel P38-Alpha Isoform Selective Kinase Inhibitors Having an Unprecedented P38-Alpha Binding Mode
Bioorg.Med.Chem.Lett., 23, 2013
4L7V
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Crystal structure of Protein L-isoaspartyl-O-methyltransferase of Vibrio cholerae
分子名称: ACETATE ION, CALCIUM ION, Protein-L-isoaspartate O-methyltransferase, ...
著者Chatterjee, T, Mukherjee, D, Chakrabarti, P.
登録日2013-06-14
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure and activity of protein L-isoaspartyl-O-methyltransferase from Vibrio cholerae, and the effect of AdoHcy binding.
Arch.Biochem.Biophys., 583, 2015

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