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7QAA
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BU of 7qaa by Molmil
Crystal structure of RARalpha/RXRalpha ligand binding domain heterodimer in complex with BMS614 and oleic acid
分子名称: 4-[(4,4-DIMETHYL-1,2,3,4-TETRAHYDRO-[1,2']BINAPTHALENYL-7-CARBONYL)-AMINO]-BENZOIC ACID, Isoform Alpha-1-deltaBC of Retinoic acid receptor alpha, OLEIC ACID, ...
著者le Maire, A, Vivat, V, Guee, L, Blanc, P, Malosse, C, Chamot-Rooke, J, Germain, P, Bourguet, w.
登録日2021-11-16
公開日2022-10-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Design and in vitro characterization of RXR variants as tools to investigate the biological role of endogenous rexinoids.
J.Mol.Endocrinol., 69, 2022
3KMR
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BU of 3kmr by Molmil
Crystal structure of RARalpha ligand binding domain in complex with an agonist ligand (Am580) and a coactivator fragment
分子名称: 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid, Nuclear receptor coactivator 1, Retinoic acid receptor alpha
著者Bourguet, W, Teyssier, C.
登録日2009-11-11
公開日2010-06-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A unique secondary-structure switch controls constitutive gene repression by retinoic acid receptor.
Nat.Struct.Mol.Biol., 17, 2010
3KMZ
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BU of 3kmz by Molmil
Crystal structure of RARalpha ligand binding domain in complex with the inverse agonist BMS493 and a corepressor fragment
分子名称: 4-{(E)-2-[5,5-dimethyl-8-(phenylethynyl)-5,6-dihydronaphthalen-2-yl]ethenyl}benzoic acid, GLYCEROL, Nuclear receptor corepressor 1, ...
著者Bourguet, W, le Maire, A.
登録日2009-11-11
公開日2010-06-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A unique secondary-structure switch controls constitutive gene repression by retinoic acid receptor.
Nat.Struct.Mol.Biol., 17, 2010
1DKF
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BU of 1dkf by Molmil
CRYSTAL STRUCTURE OF A HETERODIMERIC COMPLEX OF RAR AND RXR LIGAND-BINDING DOMAINS
分子名称: 4-[(4,4-DIMETHYL-1,2,3,4-TETRAHYDRO-[1,2']BINAPTHALENYL-7-CARBONYL)-AMINO]-BENZOIC ACID, OLEIC ACID, PROTEIN (RETINOIC ACID RECEPTOR-ALPHA), ...
著者Bourguet, W, Vivat, V, Wurtz, J.M, Chambon, P, Gronemeyer, H, Moras, D, Structural Proteomics in Europe (SPINE)
登録日1999-12-07
公開日2000-04-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of a heterodimeric complex of RAR and RXR ligand-binding domains.
Mol.Cell, 5, 2000
8S9E
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BU of 8s9e by Molmil
Solution structure of jarastatin (rJast), a disintegrin from Bothrops jararaca
分子名称: Disintegrin jarastatin
著者Vasconcelos, A.A, Estrada, J.E.C, Zingali, R.B, Almeida, F.C.L.
登録日2023-03-28
公開日2023-11-29
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Toward the mechanism of jarastatin (rJast) inhibition of the integrin alpha V beta 3.
Int.J.Biol.Macromol., 255, 2024
3PMZ
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BU of 3pmz by Molmil
Crystal Structure of the Complex of Acetylcholine Binding Protein and d-tubocurarine
分子名称: (1beta,1'alpha)-7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraran-2'-ium, MAGNESIUM ION, Soluble acetylcholine receptor
著者Talley, T.T, Harel, M, Yamauchi, J.G, Radic, Z, Hansen, S, Huxford, T, Taylor, P.W.
登録日2010-11-18
公開日2011-10-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献The Curare Alkaloids: Analyzing the Poses of Complexes with the Acetylcholine Binding Protein in Relation to Structure and Binding Energies
To be Published
3PEO
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BU of 3peo by Molmil
Crystal structure of acetylcholine binding protein complexed with metocurine
分子名称: 6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium, Soluble acetylcholine receptor
著者Talley, T.T, Harel, M, Yamauchi, G.J, Radic, Z, Hansen, S, Huxford, T, Taylor, P.W.
登録日2010-10-27
公開日2011-10-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The curare alkaloids: analyzing the poses of complexes with the acetylcholine binding protein in relation to structure and binding energetics
To be Published
6QU7
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BU of 6qu7 by Molmil
Crystal structure of human DHODH in complex with BAY 2402234
分子名称: ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Friberg, A, Gradl, S.
登録日2019-02-26
公開日2019-06-05
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献The novel dihydroorotate dehydrogenase (DHODH) inhibitor BAY 2402234 triggers differentiation and is effective in the treatment of myeloid malignancies.
Leukemia, 33, 2019
5T19
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BU of 5t19 by Molmil
Structure of PTP1B complexed with N-(3'-(1,1-dioxido-4-oxo-1,2,5-thiadiazolidin-2-yl)-4'-methyl-[1,1'-biphenyl]-4-yl)acetamide
分子名称: 5-[4-methyl-4'-(methylamino)[1,1'-biphenyl]-3-yl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione, CHLORIDE ION, MAGNESIUM ION, ...
著者Laciak, A.R, Tanner, J.J.
登録日2016-08-18
公開日2017-04-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1001 Å)
主引用文献Covalent Allosteric Inactivation of Protein Tyrosine Phosphatase 1B (PTP1B) by an Inhibitor-Electrophile Conjugate.
Biochemistry, 56, 2017
4Q1L
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BU of 4q1l by Molmil
Crystal structure of Leucurolysin-a complexed with an endogenous tripeptide (QSW).
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Ferreira, R.N, Sanchez, E.O.F, Pimenta, A.M.C, Nagem, R.A.P.
登録日2014-04-03
公開日2015-04-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of Leucurolysin-a complexed with an endogenous tripeptide (QSW).
To be Published
3HZD
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BU of 3hzd by Molmil
Crystal structure of bothropstoxin-I (BthTX-I), a PLA2 homologue from Bothrops jararacussu venom
分子名称: LITHIUM ION, Phospholipase A2 homolog bothropstoxin-1
著者Silva, M.C.O, Marchi-Salvador, D.P, Fernandes, C.A.H, Soares, A.M, Fontes, M.R.M.
登録日2009-06-23
公開日2009-07-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Comparison between apo and complexed structures of bothropstoxin-I reveals the role of Lys122 and Ca(2+)-binding loop region for the catalytically inactive Lys49-PLA(2)s.
J.Struct.Biol., 171, 2010
2OQD
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BU of 2oqd by Molmil
Crystal Structure of BthTX-II
分子名称: Phospholipase A2
著者Correa, L.C, Marchi-Salvador, D.P, Cintra, A.C.O, Soares, A.M, Fontes, M.R.M.
登録日2007-01-31
公開日2008-02-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Crystal structure of a myotoxic Asp49-phospholipase A(2) with low catalytic activity: Insights into Ca(2+)-independent catalytic mechanism.
Biochim.Biophys.Acta, 1784, 2008
1HAP
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BU of 1hap by Molmil
COMPLEX OF HUMAN ALPHA-THROMBIN WITH A 15MER OLIGONUCLEOTIDE GGTTGGTGTGGTTGG (BASED ON X-RAY MODEL OF DNA)
分子名称: 5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3', D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Thrombin heavy chain, ...
著者Padmanabhan, K, Tulinsky, A.
登録日1995-10-03
公開日1996-04-03
最終更新日2013-02-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献An ambiguous structure of a DNA 15-mer thrombin complex.
Acta Crystallogr.,Sect.D, 52, 1996
7KPT
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BU of 7kpt by Molmil
Crystal structure of CtdE in complex with FAD and substrate 4
分子名称: (6aR,7aS,11S,13aS)-6,6,11-trimethyl-4-(3-methylbut-2-en-1-yl)-6,6a,7,8,9,10,11,14-octahydro-5H,13H-13a,7a-(epiminomethano)quinolizino[2,3-b]carbazol-16-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Zhao, B, Hu, L.
登録日2020-11-12
公開日2021-06-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structural basis of the stereoselective formation of the spirooxindole ring in the biosynthesis of citrinadins.
Nat Commun, 12, 2021
7KPQ
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BU of 7kpq by Molmil
Crystal structure of CtdE in complex with FAD
分子名称: FAD-dependent monooxygenase CtdE, FLAVIN-ADENINE DINUCLEOTIDE
著者Zhao, B, Hu, L.
登録日2020-11-12
公開日2021-06-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis of the stereoselective formation of the spirooxindole ring in the biosynthesis of citrinadins.
Nat Commun, 12, 2021
1HAO
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BU of 1hao by Molmil
COMPLEX OF HUMAN ALPHA-THROMBIN WITH A 15MER OLIGONUCLEOTIDE GGTTGGTGTGGTTGG (BASED ON NMR MODEL OF DNA)
分子名称: ALPHA-THROMBIN heavy chain, ALPHA-THROMBIN light chain, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ...
著者Tulinsky, A, Padmanabhan, K.
登録日1995-10-03
公開日1996-04-03
最終更新日2013-02-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献An ambiguous structure of a DNA 15-mer thrombin complex.
Acta Crystallogr.,Sect.D, 52, 1996
6FI7
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BU of 6fi7 by Molmil
E.coli Sigma factor S (RpoS) Region 4
分子名称: RNA polymerase sigma factor RpoS
著者Liu, B, Matthews, S.J.
登録日2018-01-17
公開日2018-06-06
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献T7 phage factor required for managing RpoS inEscherichia coli.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3JR8
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BU of 3jr8 by Molmil
Crystal Structure of BthTX-II (Asp49-PLA2 from Bothrops jararacussu snake venom) with calcium ions
分子名称: CALCIUM ION, Phospholipase A2 bothropstoxin-2
著者Borges, R.J, dos Santos, J.I, Fontes, M.R.M.
登録日2009-09-08
公開日2010-09-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural, functional, and bioinformatics studies reveal a new snake venom homologue phospholipase A2 class.
Proteins, 79, 2011
6APX
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BU of 6apx by Molmil
Crystal structure of human dual specificity phosphatase 1 catalytic domain (C258S) as a maltose binding protein fusion in complex with the monobody YSX1
分子名称: GLYCEROL, Maltose-binding periplasmic protein,Dual specificity protein phosphatase 1, Monobody YSX1, ...
著者Gumpena, R, Lountos, G.T, Sreejith, R.K, Tropea, J.E, Cherry, S, Waugh, D.S.
登録日2017-08-18
公開日2017-11-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.491 Å)
主引用文献Crystal structure of the human dual specificity phosphatase 1 catalytic domain.
Protein Sci., 27, 2018
6L6V
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BU of 6l6v by Molmil
SPO1 Gp44 N-terminal region (1-55)
分子名称: E3 protein
著者Liu, B, Wang, Z.
登録日2019-10-29
公開日2021-05-05
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A Bacteriophage DNA Mimic Protein Employs a Non-specific Strategy to Inhibit the Bacterial RNA Polymerase.
Front Microbiol, 12, 2021
5LGM
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BU of 5lgm by Molmil
Gp5.7 mutant L42A
分子名称: Fusion protein 5.5/5.7
著者Liu, B, Matthews, S.
登録日2016-07-07
公開日2017-08-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Gp5.7 mutant L42A
to be published
7XML
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BU of 7xml by Molmil
Cryo-EM structure of PEIP-Bs_enolase complex
分子名称: Enolase, MAGNESIUM ION, Putative gene 60 protein
著者Li, S, Zhang, K.
登録日2022-04-26
公開日2022-07-27
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Bacteriophage protein PEIP is a potent Bacillus subtilis enolase inhibitor.
Cell Rep, 40, 2022
7ROX
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BU of 7rox by Molmil
BthTX-I complexed with inhibitor MMV
分子名称: 12-methoxy-Nb-methylvoachalotine, Basic phospholipase A2 homolog bothropstoxin-I
著者Borges, R.J, De Marino, I, Uson, I, Fontes, M.R.M.
登録日2021-08-02
公開日2022-11-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and functional studies of a snake venom phospholipase A 2 -like protein complexed to an inhibitor from Tabernaemontana catharinensis.
Biochimie, 206, 2023
5WOF
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1.65 ANGSTROM STRUCTURE OF THE DYNEIN LIGHT CHAIN 1 FROM PLASMODIUM FALCIPARUM
分子名称: Dynein light chain 1, putative
著者Walker, J.R, Lew, J, Amani, M, Alam, Z, Wasney, G, Boulanger, K, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Hui, R, Botchkarev, A, Vedadi, M, Structural Genomics Consortium (SGC)
登録日2017-08-02
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Genome-scale Protein Expression and Structural Biology of Plasmodium Falciparum and Related Apicomplexan Organisms.
MOL.BIOCHEM.PARASITOL., 151, 2007
6Y4R
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BU of 6y4r by Molmil
Cytoplasmic domain of TssL from Acinetobacter baumannii
分子名称: DotU family type IV/VI secretion system protein
著者Ruiz, F.M, Romero, A.
登録日2020-02-22
公開日2020-07-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.594 Å)
主引用文献Structural Characterization of TssL from Acinetobacter baumannii: a Key Component of the Type VI Secretion System.
J.Bacteriol., 202, 2020

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件を2024-08-07に公開中

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