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3LFC
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BU of 3lfc by Molmil
Human p38 MAP Kinase in Complex with RL99
分子名称: (4-{5-[({4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}carbamoyl)amino]-3-tert-butyl-1H-pyrazol-1-yl}phenyl)acetic acid, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日2010-01-16
公開日2011-04-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
5C35
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Constitutively active Sin recombinase cataltyic domain - T77II100T/Q115R
分子名称: Recombinase Sin, SULFATE ION
著者Trejo, C.S, Rice, P.A.
登録日2015-06-16
公開日2016-12-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Snapshots of a molecular swivel in action
Nucleic Acids Res., 2018
2EBB
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BU of 2ebb by Molmil
Crystal structure of pterin-4-alpha-carbinolamine dehydratase (pterin carbinolamine dehydratase) from Geobacillus kaustophilus HTA426
分子名称: Pterin-4-alpha-carbinolamine dehydratase
著者Kumarevel, T.S, Karthe, P, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-02-07
公開日2008-02-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of pterin-4-alpha-carbinolamine dehydratase (pterin carbinolamine dehydratase) from Geobacillus kaustophilus HTA426
To be Published
2EET
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BU of 2eet by Molmil
Guanine Riboswitch A21G, U75C mutant bound to hypoxanthine
分子名称: ACETATE ION, COBALT HEXAMMINE(III), Guanine Riboswitch, ...
著者Gilbert, S.D, Edwards, A.L, Batey, R.T.
登録日2007-02-18
公開日2007-11-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mutational analysis of the purine riboswitch aptamer domain
Biochemistry, 46, 2007
2EC8
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BU of 2ec8 by Molmil
Crystal structure of the exctracellular domain of the receptor tyrosine kinase, Kit
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Mast/stem cell growth factor receptor
著者Yuzawa, S, Opatowsky, Y, Zhang, Z, Mandiyan, V, Lax, I, Schlessinger, J.
登録日2007-02-11
公開日2007-08-07
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Basis for Activation of the Receptor Tyrosine Kinase KIT by Stem Cell Factor
Cell(Cambridge,Mass.), 130, 2007
2EEU
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BU of 2eeu by Molmil
Guanine riboswitch U22A, A52U mutant bound to hypoxanthine
分子名称: ACETATE ION, COBALT HEXAMMINE(III), Guanine riboswitch, ...
著者Gilbert, S.D, Love, C.E, Batey, R.T.
登録日2007-02-19
公開日2007-11-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mutational analysis of the purine riboswitch aptamer domain
Biochemistry, 46, 2007
2EEZ
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BU of 2eez by Molmil
Crystal structure of alanine dehydrogenase from themus thermophilus
分子名称: Alanine dehydrogenase
著者Kumarevel, T.S, Karthe, P, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-02-19
公開日2007-04-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Crystal structure of alanine dehydrogenase from themus thermophilus
To be Published
7JQG
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BU of 7jqg by Molmil
Crystal structure of human PPARgamma ligand binding domain Y473E mutant in complex with GW1929
分子名称: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, Peroxisome proliferator-activated receptor gamma
著者Shang, J, Kojetin, D.J.
登録日2020-08-10
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural mechanism underlying ligand binding and activation of PPAR gamma.
Structure, 29, 2021
2EHH
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BU of 2ehh by Molmil
Crystal structure of dihydrodipicolinate synthase from aquifex aeolicus
分子名称: Dihydrodipicolinate synthase, PHOSPHATE ION
著者Kumarevel, T.S, Karthe, P, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-03-06
公開日2007-05-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of dihydrodipicolinate synthase from aquifex aeolicus
To be Published
2EIU
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BU of 2eiu by Molmil
Crystal Structure of a Putative protein (AQ1627) from Aquifex aeolicus
分子名称: Hypothetical protein aq_1627
著者Kumarevel, T.S, Karthe, P, Nakano, N, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-03-13
公開日2007-09-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of a Putative protein (AQ1627) from Aquifex aeolicus
To be Published
3LFF
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BU of 3lff by Molmil
Human p38 MAP Kinase in Complex with RL166
分子名称: (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
著者Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日2010-01-16
公開日2011-04-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
2EBD
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BU of 2ebd by Molmil
Crystal structure of 3-oxoacyl-[acyl-carrier-protein] synthase III from Aquifex aeolicus VF5
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 3
著者Kumarevel, T.S, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-02-08
公開日2007-08-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of 3-oxoacyl-[acyl-carrier-protein] synthase III from Aquifex aeolicus VF5
To be Published
4OLB
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BU of 4olb by Molmil
Crystal Structure of Human Argonaute2 Bound to Tryptophan
分子名称: 5'-R(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*U)-3', Protein argonaute-2, TRYPTOPHAN
著者Schirle, N.T, MacRae, I.J.
登録日2014-01-23
公開日2014-02-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.899 Å)
主引用文献The crystal structure of human Argonaute2.
Science, 336, 2012
2J2I
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BU of 2j2i by Molmil
Crystal Structure of the humab PIM1 in complex with LY333531
分子名称: (9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-DIMETHENODIBENZO[E,K]PYRROLO[3,4-H][1,4,13]OXADIA ZACYCLOHEXADECINE-18,20-DIONE, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1, SULFATE ION
著者Debreczeni, J.E, Bullock, A.N, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Weigelt, J, Knapp, S.
登録日2006-08-16
公開日2007-02-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases.
Proc. Natl. Acad. Sci. U.S.A., 104, 2007
3LFE
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BU of 3lfe by Molmil
Human p38 MAP Kinase in Complex with RL116
分子名称: 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{4-[2-(pyridin-4-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日2010-01-16
公開日2011-04-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
2R4G
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BU of 2r4g by Molmil
The high resolution structure of the RNA-binding domain of telomerase
分子名称: BROMIDE ION, Telomerase reverse transcriptase
著者Rouda, S, Skordalakes, E.
登録日2007-08-31
公開日2007-11-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structure of the RNA-Binding Domain of Telomerase: Implications for RNA Recognition and Binding.
Structure, 15, 2007
4NJ7
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BU of 4nj7 by Molmil
PB1 Domain of AtARF7 - SeMet Derivative
分子名称: Auxin response factor 7
著者Korasick, D.A, Westfall, C.S, Lee, S.G, Nanao, M, Jez, J.M, Strader, L.C.
登録日2013-11-08
公開日2014-03-26
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Molecular basis for AUXIN RESPONSE FACTOR protein interaction and the control of auxin response repression.
Proc.Natl.Acad.Sci.USA, 111, 2014
2EGI
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BU of 2egi by Molmil
Crystal Structure of a Hypothetical Protein(AQ1494) from Aquifex aeolicus
分子名称: GLYCEROL, Hypothetical protein aq_1494
著者Kumarevel, T.S, Karthe, P, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-03-01
公開日2007-09-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of a Hypothetical Protein(AQ1494) from Aquifex aeolicus
To be Published
7KCO
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BU of 7kco by Molmil
ROR gamma in complex with SCR2 and compound 3
分子名称: 1-[(2-chlorophenyl)methyl]-N-{[4-(methylsulfonyl)phenyl]methyl}-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-2'-carboxamide, GLYCEROL, Nuclear receptor ROR-gamma, ...
著者Durbin, J.D, Guo, S.Y, Stout, S.L, Clawson, D.K.
登録日2020-10-06
公開日2021-04-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Defining Target Engagement Required for Efficacy In Vivo at the Retinoic Acid Receptor-Related Orphan Receptor C2 (ROR gamma t).
J.Med.Chem., 64, 2021
3LFB
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BU of 3lfb by Molmil
Human p38 MAP Kinase in Complex with RL98
分子名称: 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(1,3-thiazol-2-yl)urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日2010-01-16
公開日2011-04-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
2EF0
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BU of 2ef0 by Molmil
Crystal structure of ornithine carbamoyltransferase from thermus thermophilus
分子名称: MAGNESIUM ION, Ornithine carbamoyltransferase, SODIUM ION
著者Karthe, P, Kumarevel, T.S, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-02-19
公開日2007-04-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of ornithine carbamoyltransferase from thermus thermophilus
To be Published
2ELA
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BU of 2ela by Molmil
Crystal Structure of the PTB domain of human APPL1
分子名称: Adapter protein containing PH domain, PTB domain and leucine zipper motif 1
著者Li, J, Mao, X, Dong, L.Q, Liu, F, Tong, L.
登録日2007-03-27
公開日2007-05-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of the BAR-PH and PTB Domains of Human APPL1
Structure, 15, 2007
4NRT
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BU of 4nrt by Molmil
Human Norovirus polymerase bound to Compound 6 (suramin derivative)
分子名称: 4-({4-methyl-3-[(3-nitrobenzoyl)amino]benzoyl}amino)naphthalene-1,5-disulfonic acid, hNV-RdRp
著者Croci, R, Pezzullo, M, Tarantino, D, Mastrangelo, E, Milani, M, Bolognesi, M.
登録日2013-11-27
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.022 Å)
主引用文献Structural bases of norovirus RNA dependent RNA polymerase inhibition by novel suramin-related compounds.
Plos One, 9, 2014
4NJ6
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PB1 Domain of AtARF7
分子名称: Auxin response factor 7
著者Korasick, D.A, Westfall, C.S, Lee, S.G, Nanao, M, Jez, J.M, Strader, L.C.
登録日2013-11-08
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis for AUXIN RESPONSE FACTOR protein interaction and the control of auxin response repression.
Proc.Natl.Acad.Sci.USA, 111, 2014
4A9Y
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P38ALPHA MAP KINASE BOUND TO CMPD 8
分子名称: MITOGEN-ACTIVATED PROTEIN KINASE 14, N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE
著者Gerhardt, S, Hargreaves, D.
登録日2011-11-29
公開日2012-05-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
Bioorg.Med.Chem.Lett., 22, 2012

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