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3V3Q
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Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with Ethyl 2-[2,3,4 trimethoxy-6(1-octanoyl)phenyl]acetate
分子名称: GLYCEROL, Nuclear receptor subfamily 4 group A member 1, SODIUM ION, ...
著者Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T.
登録日2011-12-14
公開日2012-09-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK
Nat.Chem.Biol., 8, 2012
7UMB
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NanoBRET tracer Tram-bo bound to a KSR2-MEK1 complex
分子名称: Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Marsiglia, W.M, Khan, K.M, Dar, A.C.
登録日2022-04-06
公開日2023-09-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.231 Å)
主引用文献Live-cell target engagement of allosteric MEKi on MEK-RAF/KSR-14-3-3 complexes.
Nat.Chem.Biol., 20, 2024
8QDO
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BU of 8qdo by Molmil
Crystal structure of the tegument protein UL82 (pp71) from Human Cytomegalovirus
分子名称: Protein pp71, TETRAETHYLENE GLYCOL
著者Bresch, I.P, Eberhage, J, Reubold, T.F, Eschenburg, S.
登録日2023-08-30
公開日2024-02-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the tegument protein UL82 (pp71) from human cytomegalovirus.
Protein Sci., 33, 2024
6Y0C
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BU of 6y0c by Molmil
Influenza C virus polymerase in complex with human ANP32A - Subclass 2
分子名称: Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(*AP*GP*UP*AP*GP*AP*AP*AP*CP*AP*AP*GP*GP*GP*CP*CP*UP*UP*UP*U)-3'), ...
著者Fan, H, Carrique, L, Keown, J.R, Grimes, J.M, Fodor, E.
登録日2020-02-07
公開日2020-11-25
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Host ANP32A mediates the assembly of the influenza virus replicase.
Nature, 587, 2020
5Y0G
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Crystal structure of human FABP4 complexed with ligand 4-Fluoro-3-((4-methoxynaphthalene)-1-sulfonamido) benzoic acid
分子名称: 4-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid, Fatty acid-binding protein, adipocyte
著者Su, H.X, Liu, Q.F, Xu, Y.C.
登録日2017-07-17
公開日2018-06-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.542 Å)
主引用文献From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4
Eur J Med Chem, 154, 2018
5SZD
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Crystal structure of Aquifex aeolicus Hfq at 1.5A
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
著者Stanek, K, Patterson, J, Randolph, P.S, Mura, C.
登録日2016-08-13
公開日2017-04-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.494 Å)
主引用文献Crystal structure and RNA-binding properties of an Hfq homolog from the deep-branching Aquificae: conservation of the lateral RNA-binding mode.
Acta Crystallogr D Struct Biol, 73, 2017
5Y6Z
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BU of 5y6z by Molmil
Crystal structure of the coxsackievirus A16 polymerase elongation complex
分子名称: GLYCEROL, Genome polyprotein, MAGNESIUM ION, ...
著者Bi, P, Shu, B, Gong, P.
登録日2017-08-15
公開日2017-12-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the coxsackievirus A16 RNA-dependent RNA polymerase elongation complex reveals novel features in motif A dynamics
Virol Sin, 32, 2017
6PPK
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RbgA+45SRbgA complex
分子名称: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
著者Ortega, J.
登録日2019-07-07
公開日2019-09-18
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Structural consequences of the interaction of RbgA with a 50S ribosomal subunit assembly intermediate.
Nucleic Acids Res., 47, 2019
3VJH
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BU of 3vjh by Molmil
Human PPAR GAMMA ligand binding domain in complex with JKPL35
分子名称: (2S)-2-[4-methoxy-3-({[4-(trifluoromethyl)benzoyl]amino}methyl)benzyl]pentanoic acid, Peroxisome proliferator-activated receptor gamma
著者Tomioka, D, Kuwabara, N, Hashimoto, H, Sato, M, Shimizu, T.
登録日2011-10-20
公開日2012-08-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Peroxisome proliferator-activated receptors (PPARs) have multiple binding points that accommodate ligands in various conformations: phenylpropanoic acid-type PPAR ligands bind to PPAR in different conformations, depending on the subtype.
J.Med.Chem., 55, 2012
3VJT
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Vitamin D receptor complex with a carborane compound
分子名称: 1-(2-[(R)-2,4-Dihydroxybutoxy]ethyl)-12-(5-ethyl-5-hydroxyheptyl)-1,12-dicarba-closo-dodecaborane, Vitamin D3 receptor, peptide from Mediator of RNA polymerase II transcription subunit 1
著者Fujii, S, Masuno, M, Kagechika, H, Nakabayashi, M, Ito, N.
登録日2011-10-31
公開日2012-02-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Boron Cluster-based Development of Potent Nonsecosteroidal Vitamin D Receptor Ligands: Direct Observation of Hydrophobic Interaction between Protein Surface and Carborane
J.Am.Chem.Soc., 133, 2011
8QGT
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BU of 8qgt by Molmil
5'vRNA-bound Hantaan virus polymerase in monomeric intermediate state
分子名称: RNA (5'-R(P*UP*AP*GP*UP*AP*GP*UP*AP*GP*AP*CP*A)-3'), RNA-directed RNA polymerase L
著者Durieux Trouilleton, Q, Arragain, B, Malet, H.
登録日2023-09-05
公開日2024-03-27
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural characterization of the oligomerization of full-length Hantaan virus polymerase into symmetric dimers and hexamers.
Nat Commun, 15, 2024
5Y21
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BU of 5y21 by Molmil
Crystal structure of AL2 PAL domain in complex with AtRing1a proximal site
分子名称: AtRing1a proximal binding site peptide, PHD finger protein ALFIN-LIKE 2
著者Peng, L, Wang, L.L, Huang, Y.
登録日2017-07-22
公開日2018-07-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.769 Å)
主引用文献Structural Analysis of the Arabidopsis AL2-PAL and PRC1 Complex Provides Mechanistic Insight into Active-to-Repressive Chromatin State Switch
J. Mol. Biol., 430, 2018
3V9Y
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BU of 3v9y by Molmil
Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator
分子名称: 4-{4-[({[(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]naphthalen-2-yl}butanoic acid, Peptide from Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
著者Matsui, Y, Hanzawa, H.
登録日2011-12-28
公開日2012-02-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Substituents at the naphthalene C3 position of (-)-Cercosporamide derivatives significantly affect the maximal efficacy as PPAR(gamma) partial agonists
Bioorg.Med.Chem.Lett., 22, 2012
5Y95
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BU of 5y95 by Molmil
Haddock model of mSIN3B PAH1 domain
分子名称: Paired amphipathic helix protein Sin3b, propan-2-yl (3R,6S,9aS)-3-ethyl-8-(3-methylbutyl)-6-(2-methylsulfanylethyl)-4,7-bis(oxidanylidene)-9,9a-dihydro-6H-pyrazino[2,1-c][1,2,4]oxadiazine-1-carboxylate
著者Kurita, J, Hirao, Y, Nishimura, Y.
登録日2017-08-22
公開日2017-10-04
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献A mimetic of the mSin3-binding helix of NRSF/REST ameliorates abnormal pain behavior in chronic pain models.
Bioorg. Med. Chem. Lett., 27, 2017
5Y6K
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Human serum trnasferrin bound to a fluorescent probe
分子名称: (2S)-6-[2-(7-azido-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-2-[bis(2-hydroxy-2-oxoethyl)amino]hexanoic acid, FE (III) ION, MALONATE ION, ...
著者Jiang, N, Cheng, T, Wang, M, Chan, G.C.F, Jin, L, Li, H, Sun, H.
登録日2017-08-12
公開日2018-01-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Tracking iron-associated proteomes in pathogens by a fluorescence approach.
Metallomics, 10, 2018
5Y0X
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Crystal structure of human FABP4 complexed with ligand 2-fluoro-3-((4-methoxynaphthalene)-1-sulfonamido)benzoic acid
分子名称: 2-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid, Fatty acid-binding protein, adipocyte
著者Su, H.X, Liu, Q.F, Xu, Y.C.
登録日2017-07-19
公開日2018-06-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.604 Å)
主引用文献From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4
Eur J Med Chem, 154, 2018
3VRT
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BU of 3vrt by Molmil
VDR ligand binding domain in complex with 2-Mehylidene-19,25,26,27-tetranor-1alpha,24-dihydroxyvitaminD3
分子名称: (1R,3R,7E,17beta)-17-[(2R)-5-hydroxypentan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, 13-meric peptide from Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
著者Nakabayashi, M, Yoshimoto, N, Inaba, Y, Itoh, T, Ito, N, Yamamoto, K.
登録日2012-04-14
公開日2012-05-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Butyl pocket formation in the vitamin d receptor strongly affects the agonistic or antagonistic behavior of ligands
J.Med.Chem., 55, 2012
5Y13
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Crystal structure of human FABP4 complexed with ligand 5-((4-bromonaphthalene)-1-sulfonamido)pentanoic acid
分子名称: 5-[(4-bromanylnaphthalen-1-yl)sulfonylamino]pentanoic acid, Fatty acid-binding protein, adipocyte
著者Su, H.X, Liu, Q.F, Xu, Y.C.
登録日2017-07-19
公開日2018-06-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4
Eur J Med Chem, 154, 2018
7PWJ
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dUTPase from human in complex with Stl
分子名称: 1,2-ETHANEDIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial, ...
著者Sanz-Frasquet, C, Marina, A.
登録日2021-10-06
公開日2022-12-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.944 Å)
主引用文献The Bacteriophage-Phage-Inducible Chromosomal Island Arms Race Designs an Interkingdom Inhibitor of dUTPases.
Microbiol Spectr, 11, 2023
7PWX
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dUTPase from M. tuberculosis in complex with Stl
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ...
著者Marina, A, Sanz-Frasquet, C.
登録日2021-10-07
公開日2022-12-28
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献The Bacteriophage-Phage-Inducible Chromosomal Island Arms Race Designs an Interkingdom Inhibitor of dUTPases.
Microbiol Spectr, 11, 2023
4JSN
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BU of 4jsn by Molmil
structure of mTORdeltaN-mLST8 complex
分子名称: Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8
著者Pavletich, N.P.
登録日2013-03-22
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献mTOR kinase structure, mechanism and regulation.
Nature, 497, 2013
8S1K
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Crystal Structure of human FABP4 in complex with 2-[1-(methoxymethyl)cyclopentyl]-6-pentyl-4-phenyl-3-(1H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
分子名称: (6~{S})-2-[1-(methoxymethyl)cyclopentyl]-6-pentyl-4-phenyl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst-Sander, U, Rudolph, M.G.
登録日2024-02-15
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
6YDW
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55S mammalian mitochondrial ribosome with mtEFG1 and two tRNAMet (TI-POST)
分子名称: 12S rRNA, 28S ribosomal protein S16, mitochondrial, ...
著者Kummer, E, Ban, N.
登録日2020-03-21
公開日2020-07-15
最終更新日2020-08-12
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structural insights into mammalian mitochondrial translation elongation catalyzed by mtEFG1.
Embo J., 39, 2020
2A8G
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Structure of Avidin in complex with the ligand deoxyguanosine
分子名称: 2'-DEOXY-GUANOSINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Avidin
著者Conners, R, Hooley, E, Thomas, S, Brady, R.L.
登録日2005-07-08
公開日2006-05-23
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Recognition of oxidatively modified bases within the biotin-binding site of avidin.
J.Mol.Biol., 357, 2006
5Y53
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Crystal structure of AL2 PAL domain in complex with AtBMI1b binding site
分子名称: AtBMI1b binding site, PHD finger protein ALFIN-LIKE 2
著者Peng, L, Wang, L.L, Huang, Y.
登録日2017-08-07
公開日2018-08-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.598 Å)
主引用文献Structural Analysis of the Arabidopsis AL2-PAL and PRC1 Complex Provides Mechanistic Insight into Active-to-Repressive Chromatin State Switch
J. Mol. Biol., 430, 2018

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