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1NAX
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BU of 1nax by Molmil
Thyroid receptor beta1 in complex with a beta-selective ligand
分子名称: Thyroid hormone receptor beta-1, {3,5-DICHLORO-4-[4-HYDROXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}ACETIC ACID
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 (2.7 Å)
主引用文献Thyroid receptor ligands. 1. Agonist ligands selective for the thyroid receptor beta1.
J.Med.Chem., 46, 2003
2F9C
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BU of 2f9c by Molmil
Crystal structure of YDCK from Salmonella cholerae. NESG target SCR6
分子名称: CESIUM ION, Hypothetical protein YDCK
著者Benach, J, Chen, Y, Vorobiev, S.M, Seetharaman, J, Janjua, H, Cooper, B, Acton, X.T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2005-12-05
公開日2005-12-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of YDCK from Salmonella cholerae NESG target SCR6.
To be Published
1NDE
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BU of 1nde by Molmil
Estrogen Receptor beta with Selective Triazine Modulator
分子名称: 4-(2-{[4-{[3-(4-CHLOROPHENYL)PROPYL]SULFANYL}-6-(1-PIPERAZINYL)-1,3,5-TRIAZIN-2-YL]AMINO}ETHYL)PHENOL, Estrogen receptor beta
著者Henke, B.R, Consler, T.G, Go, N, Hale, R.L, Hohman, D.R, Jones, S.A, Lu, A.T, Moore, L.B, Moore, J.T, Orband-Miller, L.A, Robinett, R.G, Shearin, J, Spearing, P.K, Stewart, E.L, Turnbull, P.S, Weaver, S.L, Williams, S.P, Wisely, G.B, Lambert, M.H.
登録日2002-12-09
公開日2002-12-18
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A New Series of Estrogen Receptor Modulators That Display Selectivity for Estrogen Receptor beta
J.Med.Chem., 45, 2002
2FGN
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BU of 2fgn by Molmil
Structural Studies Examining the Substrate Specificity Profiles of PC-PLCBc Protein Variants
分子名称: Phospholipase C, ZINC ION
著者Benfield, A.P, Martin, S.F.
登録日2005-12-22
公開日2006-03-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structural studies examining the substrate specificity profiles of PC-PLC(Bc) protein variants.
Arch.Biochem.Biophys., 460, 2007
4M8E
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BU of 4m8e by Molmil
CRYSTAL STRUCTURE OF HUMAN RETINOID X RECEPTOR ALPHA-LIGAND BINDING DOMAIN COMPLEX WITH (S) 4-Methyl 9cUAB30 COACTIVATOR PEPTIDE GRIP-1
分子名称: (3E,6Z,8E)-3,7-dimethyl-8-[(4S)-4-methyl-3,4-dihydronaphthalen-1(2H)-ylidene]octa-3,6-dienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者Xia, G, Smith, C.D, Muccio, D.D.
登録日2013-08-13
公開日2014-01-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Methyl-substituted conformationally constrained rexinoid agonists for the retinoid X receptors demonstrate improved efficacy for cancer therapy and prevention.
Bioorg.Med.Chem., 22, 2014
3K3I
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BU of 3k3i by Molmil
p38alpha bound to novel DGF-out compound PF-00215955
分子名称: (3S)-3-[4-(4-bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14
著者Kazmirski, S.L, DiNitto, J.P.
登録日2009-10-02
公開日2009-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The design, synthesis and potential utility of fluorescence probes that target DFG-out conformation of p38alpha for high throughput screening binding assay.
Chem.Biol.Drug Des., 74, 2009
1E50
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BU of 1e50 by Molmil
AML1/CBFbeta complex
分子名称: CORE-BINDING FACTOR ALPHA SUBUNIT, CORE-BINDING FACTOR CBF-BETA
著者Warren, A.J, Bravo, J, Williams, R.L, Rabbits, T.H.
登録日2000-07-13
公開日2001-07-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Basis for the Heterodimeric Interaction between the Acute Leukaemia-Associated Transcription Factors Aml1 and Cbfbeta
Embo J., 19, 2000
3ZSH
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BU of 3zsh by Molmil
X-ray structure of p38alpha bound to SCIO-469
分子名称: 2-(6-chloro-5-{[(2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl]carbonyl}-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide, MITOGEN-ACTIVATED PROTEIN KINASE 14, octyl beta-D-glucopyranoside
著者Azevedo, R, van Zeeland, M, Raaijmakers, H, Kazemier, B, Oubrie, A.
登録日2011-06-28
公開日2012-06-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献X-ray structure of p38 alpha bound to TAK-715: comparison with three classic inhibitors.
Acta Crystallogr. D Biol. Crystallogr., 68, 2012
2FCY
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BU of 2fcy by Molmil
HIV-1 DIS kissing-loop in complex with Neomycin
分子名称: CHLORIDE ION, HIV-1 DIS RNA, NEOMYCIN, ...
著者Ennifar, E, Paillart, J.C, Marquet, R, Dumas, P.
登録日2005-12-13
公開日2006-05-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Targeting the dimerization initiation site of HIV-1 RNA with aminoglycosides: from crystal to cell.
Nucleic Acids Res., 34, 2006
7V1M
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BU of 7v1m by Molmil
Structural basis for the co-chaperone relationship of sNASP and ASF1b
分子名称: Histone H3.3, Histone H4, Histone chaperone ASF1B, ...
著者Bao, H, Huang, H.
登録日2021-08-04
公開日2022-04-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.834 Å)
主引用文献NASP maintains histone H3-H4 homeostasis through two distinct H3 binding modes.
Nucleic Acids Res., 50, 2022
3ZSG
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BU of 3zsg by Molmil
X-ray structure of p38alpha bound to TAK-715
分子名称: MITOGEN-ACTIVATED PROTEIN KINASE 14, TAK-715, octyl beta-D-glucopyranoside
著者Azevedo, R, van Zeeland, M, Raaijmakers, H, Kazemier, B, Oubrie, A.
登録日2011-06-28
公開日2012-06-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献X-ray structure of p38 alpha bound to TAK-715: comparison with three classic inhibitors.
Acta Crystallogr. D Biol. Crystallogr., 68, 2012
3K3J
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BU of 3k3j by Molmil
P38alpha bound to novel DFG-out compound PF-00416121
分子名称: 2-(4-fluorophenyl)-3-oxo-6-pyridin-4-yl-N-[2-(trifluoromethyl)benzyl]-2,3-dihydropyridazine-4-carboxamide, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14
著者Kazmirski, S.L, DiNitto, J.P.
登録日2009-10-02
公開日2009-11-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.995 Å)
主引用文献The Design, Synthesis and Potential Utility of Fluorescence Probes that Target DFG-out Conformation of p38alpha for High Throughput Screening Binding Assay.
Chem.Biol.Drug Des., 74, 2009
7KM6
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BU of 7km6 by Molmil
APOBEC3B antibody 5G7 Fv-clasp
分子名称: 1,2-ETHANEDIOL, 5G7 human monoclonal FAB heavy chain, 5G7 human monoclonal FAB light chain, ...
著者Tang, H, Shi, K, Aihara, H.
登録日2020-11-02
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structural Characterization of a Minimal Antibody against Human APOBEC3B.
Viruses, 13, 2021
2K8P
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BU of 2k8p by Molmil
Characterisation of the structural features and interactions of sclerostin: molecular insight into a key regulator of Wnt-mediated bone formation
分子名称: Sclerostin
著者Veverka, V, Henry, A.J, Slocombe, P.M, Ventom, A, Mulloy, B, Muskett, F.W, Muzylak, M, Greenslade, K, Moore, A, Zhang, L, Gong, J, Qian, X, Paszty, C, Taylor, R.J, Robinson, M.K, Carr, M.D.
登録日2008-09-18
公開日2009-02-17
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Characterization of the Structural Features and Interactions of Sclerostin: Molecular insight into a key regulator of Wnt-mediated bone formation
J.Biol.Chem., 284, 2009
3G8O
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BU of 3g8o by Molmil
Progesterone Receptor with bound Pyrrolidine 1
分子名称: N~2~-[4-cyano-3-(trifluoromethyl)phenyl]-N,N-dimethyl-N~2~-(2,2,2-trifluoroethyl)-L-alaninamide, Progesterone receptor, SULFATE ION
著者Thompson, S.K, Washburn, D.G, Madauss, K.P, Williams, S.P, Stewart, E.L.
登録日2009-02-12
公開日2010-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rational design of orally-active, pyrrolidine-based progesterone receptor partial agonists.
Bioorg.Med.Chem.Lett., 19, 2009
2GSL
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BU of 2gsl by Molmil
X-Ray Crystal Structure of Protein FN1578 from Fusobacterium nucleatum. Northeast Structural Genomics Consortium Target NR1.
分子名称: Hypothetical protein, MAGNESIUM ION
著者Forouhar, F, Su, M, Jayaraman, S, Conover, K, Janjua, H, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2006-04-26
公開日2006-05-09
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of the Hypothetical Protein (FN1578) from Fusobacterium nucleatum, NESG Target NR1
To be Published
4AA5
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BU of 4aa5 by Molmil
P38ALPHA MAP KINASE BOUND TO CMPD 33
分子名称: MITOGEN-ACTIVATED PROTEIN KINASE 14, N-CYCLOPROPYL-4-METHYL-3-[6-(4-METHYLPIPERAZIN-1-YL)-4-OXIDANYLIDENE-QUINAZOLIN-3-YL]BENZAMIDE
著者Gerhardt, S, Hargreaves, D.
登録日2011-11-30
公開日2012-05-16
最終更新日2019-02-06
実験手法X-RAY DIFFRACTION (2.38 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
5DZM
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BU of 5dzm by Molmil
HIV-1 Reverse Transcriptase RH domain
分子名称: Ribonuclease H
著者Pedersen, L.C, London, R.E, Gabel, S.A, Zheng, X.H.
登録日2015-09-25
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Unfolding the HIV-1 reverse transcriptase RNase H domain - how to lose a molecular tug-of-war.
Nucleic Acids Res., 44, 2016
2FLZ
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BU of 2flz by Molmil
The X-ray structure of cis-3-chloroacrylic acid dehalogenase (cis-CaaD) with a sulfate ion bound in the active site
分子名称: SULFATE ION, 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2023-08-30
実験手法X-RAY DIFFRACTION (2.75 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
7KI3
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BU of 7ki3 by Molmil
Human Argonaute2:miR-122 bound to the HCV genotype 1a site-1 RNA
分子名称: BARIUM ION, HCV genotype 1a miR-122 site-1, Protein argonaute-2, ...
著者Gebert, L.F.R, MacRae, I.J.
登録日2020-10-22
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A structured RNA motif locks Argonaute2:miR-122 onto the 5' end of the HCV genome.
Nat Commun, 12, 2021
4O5A
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BU of 4o5a by Molmil
The crystal structure of a LacI family transcriptional regulator from Bifidobacterium animalis subsp. lactis DSM 10140
分子名称: GLYCEROL, LacI family transcription regulator, SULFATE ION
著者Tan, K, Li, H, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2013-12-19
公開日2014-01-15
実験手法X-RAY DIFFRACTION (1.777 Å)
主引用文献The crystal structure of a LacI family transcriptional regulator from Bifidobacterium animalis subsp. lactis DSM 10140.
To be Published
2ONL
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BU of 2onl by Molmil
Crystal Structure of the p38a-MAPKAP kinase 2 Heterodimer
分子名称: MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14
著者Ter Haar, E.
登録日2007-01-24
公開日2007-02-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Crystal structure of the P38alpha-MAPKAP kinase 2 heterodimer.
J.Biol.Chem., 282, 2007
1MZN
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BU of 1mzn by Molmil
CRYSTAL STRUCTURE at 1.9 ANGSTROEMS RESOLUTION OF THE HOMODIMER OF HUMAN RXR ALPHA LIGAND BINDING DOMAIN BOUND TO THE SYNTHETIC AGONIST COMPOUND BMS 649 AND A COACTIVATOR PEPTIDE
分子名称: 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-2-YL]-BENZOIC ACID, Nuclear receptor coactivator 2, RXR retinoid X receptor
著者Egea, P.F, Mitschler, A, Moras, D.
登録日2002-10-09
公開日2002-10-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular Recognition of Agonist Ligands by RXRs
MOL.ENDOCRINOL., 16, 2002
2FCX
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BU of 2fcx by Molmil
HIV-1 DIS kissing-loop in complex with neamine
分子名称: (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, CHLORIDE ION, HIV-1 DIS RNA, ...
著者Ennifar, E, Paillart, J.C, Marquet, R, Dumas, P.
登録日2005-12-13
公開日2006-05-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Targeting the dimerization initiation site of HIV-1 RNA with aminoglycosides: from crystal to cell.
Nucleic Acids Res., 34, 2006
8CHW
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BU of 8chw by Molmil
Crystal structure of human PURA (fragment Pro216-Lys280, PUR repeat III)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Transcriptional activator protein Pur-alpha
著者Janowski, R, Niessing, D.
登録日2023-02-08
公開日2024-02-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献PURA syndrome-causing mutations impair PUR-domain integrity and affect P-body association.
Elife, 13, 2024

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