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4AA0
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BU of 4aa0 by Molmil
P38ALPHA MAP KINASE BOUND TO CMPD 2
分子名称: MITOGEN-ACTIVATED PROTEIN KINASE 14, N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide
著者Gerhardt, S, Hargreaves, D.
登録日2011-11-30
公開日2012-05-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 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
6YJ6
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BU of 6yj6 by Molmil
Structure of the TFIIIC subcomplex tauA
分子名称: Transcription factor tau 131 kDa subunit, Transcription factor tau 55 kDa subunit, Transcription factor tau 95 kDa subunit,Transcription factor tau 95 kDa subunit
著者Vorlaender, M.K, Muller, C.W.
登録日2020-04-02
公開日2020-09-16
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure of the TFIIIC subcomplex tau A provides insights into RNA polymerase III pre-initiation complex formation.
Nat Commun, 11, 2020
3LFA
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BU of 3lfa by Molmil
Human p38 MAP Kinase in Complex with Dasatinib
分子名称: Mitogen-activated protein kinase 14, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, 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 (2.1 Å)
主引用文献Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
4O0M
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BU of 4o0m by Molmil
Crystal structure of T. Elongatus BP-1 Clock Protein KaiC
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, MAGNESIUM ION
著者Pattanayek, R, Egli, M.
登録日2013-12-13
公開日2014-05-14
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献An arginine tetrad as mediator of input-dependent and input-independent ATPases in the clock protein KaiC
Acta Crystallogr.,Sect.D, D70, 2014
2ELB
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BU of 2elb by Molmil
Crystal Structure of the BAR-PH 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2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structures of the BAR-PH and PTB Domains of Human APPL1
Structure, 15, 2007
2EEV
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BU of 2eev by Molmil
Guanine riboswitch U22C, A52G mutant bound to hypoxanthine
分子名称: ACETATE ION, COBALT HEXAMMINE(III), HYPOXANTHINE, ...
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
4NIE
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BU of 4nie by Molmil
Crystal structure of the orphan nuclear receptor ROR(gamma)t ligand-binding domain in complex with small molecule ligand
分子名称: 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, N-(4-{[benzyl(propyl)amino]methyl}phenyl)-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, ...
著者Ma, Y.L, Yang, L.Q.
登録日2013-11-06
公開日2013-12-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Discovery of Tertiary Amine and Indole Derivatives as Potent ROR gamma t Inverse Agonists.
Acs Med.Chem.Lett., 5, 2014
1NAV
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BU of 1nav by Molmil
Thyroid Receptor Alpha in complex with an agonist selective for Thyroid Receptor Beta1
分子名称: SULFATE ION, hormone receptor alpha 1, THRA1, ...
著者Ye, L, Li, Y.L, Mellstrom, K, Mellin, C, Bladh, L.G, Koehler, K, Garg, N, Garcia Collazo, A.M, Litten, C, Husman, B, Persson, K, Ljunggren, J, Grover, G, Sleph, P.G, George, R, Malm, J.
登録日2002-11-29
公開日2003-06-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Thyroid receptor ligands. 1. Agonist ligands selective for the thyroid receptor beta1.
J.Med.Chem., 46, 2003
3LFD
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BU of 3lfd by Molmil
Human p38 MAP Kinase in Complex with RL113
分子名称: 1-{4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-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 (3.4 Å)
主引用文献Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
4NYW
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BU of 4nyw by Molmil
Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand
分子名称: (3R)-N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide, 1,2-ETHANEDIOL, CREB-binding protein, ...
著者Filippakopoulos, P, Picaud, S, Felletar, I, Rooney, T.P.C, Fedorov, O, Martin, S, Monteiro, O.P, Conway, S.J, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-12-11
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand
TO BE PUBLISHED
2EBA
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BU of 2eba by Molmil
Crystal structure of the putative glutaryl-CoA dehydrogenase from thermus thermophilus
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Putative glutaryl-CoA dehydrogenase
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2007-04-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystal structure of the putative glutaryl-CoA dehydrogenase from thermus thermophilus
To be Published
2EHP
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BU of 2ehp by Molmil
Crystal Structure of a Putative protein (AQ1627) from Aquifex aeolicus
分子名称: aq_1627 protein
著者Kumarevel, T.S, Karthe, P, Nakano, N, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-03-07
公開日2007-09-11
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal Structure of a Putative protein (AQ1627) from Aquifex aeolicus
To be Published
4OLA
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BU of 4ola by Molmil
Crystal Structure of Human Argonaute2
分子名称: 5'-R(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*U)-3', ISOPROPYL ALCOHOL, PHENOL, ...
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2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The crystal structure of human Argonaute2.
Science, 336, 2012
2OZA
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BU of 2oza by Molmil
Structure of p38alpha complex
分子名称: MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14
著者White, A, Pargellis, C.A, Studts, J.M, Werneburg, B.G, Farmer II, B.T.
登録日2007-02-25
公開日2007-04-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular basis of MAPK-activated protein kinase 2:p38 assembly
Proc.Natl.Acad.Sci.Usa, 104, 2007
4OC7
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BU of 4oc7 by Molmil
Retinoic acid receptor alpha in complex with (E)-3-(3'-allyl-6-hydroxy-[1,1'-biphenyl]-3-yl)acrylic acid and a fragment of the coactivator TIF2
分子名称: (2E)-3-[6-hydroxy-3'-(prop-2-en-1-yl)biphenyl-3-yl]prop-2-enoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者Leysen, S, Scheepstra, M, Brunsveld, L, Milroy, L.G, Ottmann, C.
登録日2014-01-08
公開日2014-10-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A natural-product switch for a dynamic protein interface.
Angew.Chem.Int.Ed.Engl., 53, 2014
2D6F
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BU of 2d6f by Molmil
Crystal structure of Glu-tRNA(Gln) amidotransferase in the complex with tRNA(Gln)
分子名称: Glutamyl-tRNA(Gln) amidotransferase subunit D, Glutamyl-tRNA(Gln) amidotransferase subunit E, ZINC ION, ...
著者Nureki, O.
登録日2005-11-13
公開日2006-07-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Structural basis of RNA-dependent recruitment of glutamine to the genetic code
Science, 312, 2006
7JTW
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BU of 7jtw by Molmil
Crystal structure of RORgt with compound (4R)-6-[(2,5-dichloro-3-{[(2R,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]oxy}phenyl)amino]-6-oxo-4-phenylhexanoic acid
分子名称: (4R)-6-[(2,5-dichloro-3-{[(2R,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]oxy}phenyl)amino]-6-oxo-4-phenylhexanoic acid, GLYCEROL, RAR-related orphan receptor C isoform a variant, ...
著者Min, X, Wang, Z.
登録日2020-08-18
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of 6-Oxo-4-phenyl-hexanoic acid derivatives as ROR gamma t inverse agonists showing favorable ADME profile.
Bioorg.Med.Chem.Lett., 36, 2021
2FLT
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BU of 2flt by Molmil
The X-ray structure of the cis-3-chloroacrylic acid dehalogenase cis-CaaD inactivated with (R)-Oxirane-2-carboxylate
分子名称: LACTIC ACID, cis-3-chloroacrylic acid dehalogenase
著者de Jong, R.M.
登録日2006-01-06
公開日2006-11-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of Native and Inactivated cis-3-Chloroacrylic Acid Dehalogenase: STRUCTURAL BASIS FOR SUBSTRATE SPECIFICITY AND INACTIVATION BY (R)-OXIRANE-2-CARBOXYLATE.
J.Biol.Chem., 282, 2007
8QA8
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BU of 8qa8 by Molmil
Crystal structure of the C-terminally truncated transcriptional repressor protein KorB from the RK2 plasmid complexed with CTP-gamma-S
分子名称: CHLORIDE ION, CYTIDINE-5'-TRIPHOSPHATE, Transcriptional repressor protein KorB
著者McLean, T.C, Mundy, J.E.A, Lawson, D.M, Le, T.B.K.
登録日2023-08-22
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the C-terminally truncated transcriptional repressor protein KorB from the RK2 plasmid complexed with CTP-gamma-S
To Be Published
4NB6
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BU of 4nb6 by Molmil
Crystal structure of the ligand binding domain of RORC with T0901317
分子名称: N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, Nuclear receptor ROR-gamma
著者Hymowitz, S.G, Boenig-de Leon, G.
登録日2013-10-22
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structure-based design of substituted hexafluoroisopropanol-arylsulfonamides as modulators of RORc.
Bioorg.Med.Chem.Lett., 23, 2013
7K82
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BU of 7k82 by Molmil
The X-ray crystal structure of SSR4, an S. pombe chromatin remodelling protein: sulfur SAD
分子名称: CHLORIDE ION, GLYCEROL, SWI/SNF and RSC complexes subunit ssr4
著者Peat, T.S, Newman, J.
登録日2020-09-24
公開日2020-12-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The X-ray crystal structure of the N-terminal domain of Ssr4, a Schizosaccharomyces pombe chromatin-remodelling protein.
Acta Crystallogr.,Sect.F, 76, 2020
8QAO
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BU of 8qao by Molmil
Crystal structure of TP901-1 CI-NTD89 repressor N-terminal domain
分子名称: CI
著者Huang, Z, Hamad, G.M, Lo Leggio, L, Varming, A.K.
登録日2023-08-23
公開日2024-02-28
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献CI:Mor interactions in the lysogeny switches of Lactococcus lactis TP901-1 and Staphylococcus aureus phi 13 bacteriophages.
Microbiome Res Rep, 3, 2024
2FGP
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BU of 2fgp by Molmil
Crystal structure of a minimal, all RNA hairpin ribozyme with modifications (g8dap, u39c) at ph 8.6
分子名称: 5'-R(*CP*GP*GP*UP*GP*AP*(N6G)P*AP*AP*GP*GP*G)-3', 5'-R(*GP*GP*CP*AP*GP*AP*GP*AP*AP*AP*CP*AP*CP*AP*CP*GP*A)-3', 5'-R(*UP*CP*CP*CP*AP*GP*UP*CP*CP*AP*CP*CP*G)-3', ...
著者Salter, J.D, Wedekind, J.E.
登録日2005-12-22
公開日2006-02-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Water in the Active Site of an All-RNA Hairpin Ribozyme and Effects of Gua8 Base Variants on the Geometry of Phosphoryl Transfer.
Biochemistry, 45, 2006
2PUU
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BU of 2puu by Molmil
Crystal structure of p38 complex with 1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(6-morpholin-4-ylmethyl-pyridin-3-yl)naphthalen-1-yl]urea
分子名称: 5-TERT-BUTYL-2-(4-METHYLPHENYL)-3-{[({4-[6-(MORPHOLIN-4-YLMETHYL)PYRIDIN-3-YL]-1-NAPHTHYL}AMINO)CARBONYL]AMINO}-1H-PYRAZOL-2-IUM, Mitogen-activated protein kinase 14
著者Qian, K.C.
登録日2007-05-09
公開日2008-05-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A new class of p38 MAP kinase inhibitors based on the pyrazole-naphthyl urea scaffold
To be Published
6H25
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BU of 6h25 by Molmil
Human nuclear RNA exosome EXO-10-MPP6 complex
分子名称: Exosome complex component CSL4, Exosome complex component MTR3, Exosome complex component RRP4, ...
著者Gerlach, P, Schuller, J.M, Falk, S, Basquin, J, Conti, E.
登録日2018-07-13
公開日2018-08-15
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Distinct and evolutionary conserved structural features of the human nuclear exosome complex.
Elife, 7, 2018

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