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3DCU
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BU of 3dcu by Molmil
FXR with SRC1 and GSK8062
分子名称: 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)naphthalene-1-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1
著者Williams, S.P, Madauss, K.P.
登録日2008-06-04
公開日2008-08-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064.
Bioorg.Med.Chem.Lett., 18, 2008
3DJK
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BU of 3djk by Molmil
Wild Type HIV-1 Protease with potent Antiviral inhibitor GRL-0255A
分子名称: (5R)-1,3-dioxepan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, Protease, ...
著者Wang, Y.F, Weber, I.T.
登録日2008-06-23
公開日2008-09-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Flexible cyclic ethers/polyethers as novel P2-ligands for HIV-1 protease inhibitors: design, synthesis, biological evaluation, and protein-ligand X-ray studies
J.Med.Chem., 51, 2008
6P1B
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BU of 6p1b by Molmil
Transcription antitermination factor Q21
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Q protein
著者Yin, Z, Ebright, R.H.
登録日2019-05-19
公開日2019-06-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.942 Å)
主引用文献Structural basis of Q-dependent antitermination.
Proc.Natl.Acad.Sci.USA, 116, 2019
4DWL
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BU of 4dwl by Molmil
Avd molecule from Bordetella bacteriophage DGR
分子名称: Bbp7, PHOSPHATE ION
著者Ghosh, P, Al-Ayyoubi, M.
登録日2012-02-24
公開日2013-02-27
最終更新日2015-01-14
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Structure of the essential diversity-generating retroelement protein bAvd and its functionally important interaction with reverse transcriptase.
Structure, 21, 2013
1DDL
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BU of 1ddl by Molmil
DESMODIUM YELLOW MOTTLE TYMOVIRUS
分子名称: DESMODIUM YELLOW MOTTLE VIRUS, RNA (5'-R(P*UP*U)-3'), RNA (5'-R(P*UP*UP*UP*UP*UP*UP*U)-3')
著者Larson, S.B, Day, J, Canady, M.A, Greenwood, A, McPherson, A.
登録日1999-11-10
公開日2000-10-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Refined structure of desmodium yellow mottle tymovirus at 2.7 A resolution.
J.Mol.Biol., 301, 2000
4DZR
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BU of 4dzr by Molmil
The crystal structure of protein-(glutamine-N5) methyltransferase (release factor-specific) from Alicyclobacillus acidocaldarius subsp. acidocaldarius DSM 446
分子名称: ACETATE ION, CALCIUM ION, GLYCEROL, ...
著者Tan, K, Chhor, G, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2012-03-01
公開日2012-03-14
実験手法X-RAY DIFFRACTION (2.551 Å)
主引用文献The crystal structure of protein-(glutamine-N5) methyltransferase (release factor-specific) from Alicyclobacillus acidocaldarius subsp. acidocaldarius DSM 446
To be Published
3T0M
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BU of 3t0m by Molmil
Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening
分子名称: (2-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 protein sigma, CHLORIDE ION, ...
著者Thiel, P, Ottmann, C.
登録日2011-07-20
公開日2012-12-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
4DDH
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BU of 4ddh by Molmil
Pantothenate synthetase in complex with 6-methoxy-1-benzofuran-3-yl acetic acid
分子名称: (6-methoxy-1-benzofuran-3-yl)acetic acid, 1,2-ETHANEDIOL, ETHANOL, ...
著者Silvestre, H.L.
登録日2012-01-18
公開日2013-02-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery.
Proc.Natl.Acad.Sci.USA, 110, 2013
3SQJ
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BU of 3sqj by Molmil
Recombinant human serum albumin from transgenic plant
分子名称: MYRISTIC ACID, Serum albumin
著者He, Y, Yang, D.
登録日2011-07-05
公開日2011-11-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Large-scale production of functional human serum albumin from transgenic rice seeds.
Proc.Natl.Acad.Sci.USA, 108, 2011
3SOU
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BU of 3sou by Molmil
Structure of UHRF1 PHD finger in complex with histone H3 1-9 peptide
分子名称: E3 ubiquitin-protein ligase UHRF1, Histone H3, ZINC ION
著者Rajakumara, E, Patel, D.J.
登録日2011-06-30
公開日2011-08-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8001 Å)
主引用文献PHD Finger Recognition of Unmodified Histone H3R2 Links UHRF1 to Regulation of Euchromatic Gene Expression.
Mol.Cell, 43, 2011
4DK7
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BU of 4dk7 by Molmil
Crystal structure of LXR ligand binding domain in complex with full agonist 1
分子名称: ACETATE ION, CALCIUM ION, N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylbenzenesulfonamide, ...
著者Piper, D.E, Xu, H.
登録日2012-02-03
公開日2012-03-21
最終更新日2012-05-09
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery of a new binding mode for a series of liver X receptor agonists.
Bioorg.Med.Chem.Lett., 22, 2012
3SRD
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BU of 3srd by Molmil
Human M2 pyruvate kinase in complex with fructose 1-6 bisphosphate and Oxalate.
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, MAGNESIUM ION, ...
著者Morgan, H.P, O'Reilly, F, Palmer, R, McNae, I.W, Nowicki, M.W, Wear, M.A, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
登録日2011-07-07
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.902 Å)
主引用文献Allosetric regulation of M2 pyruvate kinase.
To be Published
3T6J
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BU of 3t6j by Molmil
Structure of human DPPIII in complex with the opioid peptide Tynorphin, at 3.0 Angstroms
分子名称: Dipeptidyl peptidase 3, Tynorphin
著者Bezerra, G.A, Gruber, K.
登録日2011-07-28
公開日2012-04-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.976 Å)
主引用文献Entropy-driven binding of opioid peptides induces a large domain motion in human dipeptidyl peptidase III.
Proc.Natl.Acad.Sci.USA, 109, 2012
3T6R
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BU of 3t6r by Molmil
Structure of UHRF1 in complex with unmodified H3 N-terminal tail
分子名称: E3 ubiquitin-protein ligase UHRF1, Histone H3.1t N-terminal peptide, MAGNESIUM ION, ...
著者Xie, S, Jakoncic, J, Qian, C.M.
登録日2011-07-29
公開日2011-11-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献UHRF1 double tudor domain and the adjacent PHD finger act together to recognize K9me3-containing histone H3 tail
J.Mol.Biol., 415, 2012
4DHP
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BU of 4dhp by Molmil
Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening
分子名称: 14-3-3 protein sigma, CHLORIDE ION, GLYCEROL, ...
著者Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C.
登録日2012-01-30
公開日2013-07-31
最終更新日2013-09-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
3SOW
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BU of 3sow by Molmil
Structure of UHRF1 PHD finger in complex with histone H3K4me3 1-9 peptide
分子名称: E3 ubiquitin-protein ligase UHRF1, Histone H3, ZINC ION
著者Rajakumara, E, Patel, D.J.
登録日2011-06-30
公開日2011-08-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9501 Å)
主引用文献PHD Finger Recognition of Unmodified Histone H3R2 Links UHRF1 to Regulation of Euchromatic Gene Expression.
Mol.Cell, 43, 2011
3SP5
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BU of 3sp5 by Molmil
Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide and stabilizer Cotylenol
分子名称: 14-3-3 protein sigma, Cotylenol, MAGNESIUM ION, ...
著者Anders, C, Schumacher, B, Ottmann, C.
登録日2011-07-01
公開日2016-05-04
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface.
Chem.Biol., 20, 2013
3SPR
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BU of 3spr by Molmil
Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide and stabilizer FC-THF
分子名称: 14-3-3 protein sigma, CHLORIDE ION, Fusicoccin A-THF, ...
著者Anders, C, Schumacher, B, Ottmann, C.
登録日2011-07-03
公開日2012-07-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface.
Chem. Biol., 20, 2013
3SS7
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BU of 3ss7 by Molmil
Crystal structure of holo D-serine dehydratase from Escherichia coli at 1.55 A resolution
分子名称: D-serine dehydratase, GLYCEROL, POTASSIUM ION, ...
著者Urusova, D.V, Isupov, M.N, Antonyuk, S.V, Kachalova, G.S, Vagin, A.A, Lebedev, A.A, Bourenkov, G.P, Dauter, Z, Bartunik, H.D, Melik-Adamyan, W.R, Mueller, T.D, Schnackerz, K.D.
登録日2011-07-07
公開日2012-01-18
最終更新日2012-02-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of D-serine dehydratase from Escherichia coli.
Biochim.Biophys.Acta, 1824, 2011
4DZ1
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BU of 4dz1 by Molmil
Crystal structure of DalS, an ATP binding cassette transporter for D-alanine from Salmonella enterica
分子名称: D-ALANINE, DalS D-Alanine transporter
著者Mok, M, Junop, M.
登録日2012-02-29
公開日2012-03-21
最終更新日2012-05-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Characterization of DalS, an ATP-binding Cassette Transporter for D-Alanine, and Its Role in Pathogenesis in Salmonella enterica.
J.Biol.Chem., 287, 2012
4E2T
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BU of 4e2t by Molmil
Crystal Structures of RadA intein from Pyrococcus horikoshii
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Pho radA intein
著者Oeemig, J.S, Zhou, D, Kajander, T, Wlodawer, A, Iwai, H.
登録日2012-03-09
公開日2012-05-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献NMR and Crystal Structures of the Pyrococcus horikoshii RadA Intein Guide a Strategy for Engineering a Highly Efficient and Promiscuous Intein.
J.Mol.Biol., 421, 2012
4E05
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BU of 4e05 by Molmil
Anophelin from the malaria vector inhibits thrombin through a novel reverse-binding mechanism
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Salivary anti-thrombin peptide anophelin, ...
著者Figueiredo, A.C, de Sanctis, D, Gutierrez-Gallego, R, Cereija, T.B, Macedo-Ribeiro, S, Fuentes-Prior, P, Pereira, P.J.B.
登録日2012-03-02
公開日2012-12-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.304 Å)
主引用文献Unique thrombin inhibition mechanism by anophelin, an anticoagulant from the malaria vector.
Proc.Natl.Acad.Sci.USA, 109, 2012
4E3Y
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BU of 4e3y by Molmil
X-ray structure of the Serratia marcescens endonuclease at 0.95 A resolution
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Lashkov, A.A, Balaev, V.V, Gabdoulkhakov, A.G, Betzel, C, Mikhailov, A.M.
登録日2012-03-11
公開日2013-05-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献X-ray structure of the Serratia marcescens endonuclease at 0.95 A resolution
To be Published
4E06
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BU of 4e06 by Molmil
Anophelin from the malaria vector inhibits thrombin through a novel reverse-binding mechanism
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Salivary anti-thrombin peptide anophelin, ...
著者Figueiredo, A.C, de Sanctis, D, Gutierrez-Gallego, R, Cereija, T.B, Macedo-Ribeiro, S, Fuentes-Prior, P, Pereira, P.J.B.
登録日2012-03-02
公開日2012-12-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.196 Å)
主引用文献Unique thrombin inhibition mechanism by anophelin, an anticoagulant from the malaria vector.
Proc.Natl.Acad.Sci.USA, 109, 2012
3SRK
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BU of 3srk by Molmil
A new class of suicide inhibitor blocks nucleotide binding to pyruvate kinase
分子名称: 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, POTASSIUM ION, Pyruvate kinase, ...
著者Morgan, H.P, Walsh, M, Blackburn, E.A, Wear, M.A, Boxer, M, Shen, M, McNae, I.W, Michels, P.A.M, Auld, D.S, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
登録日2011-07-07
公開日2012-07-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献A new class of suicide inhibitor blocks nucleotide binding to pyruvate kinase
To be Published

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