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3DW4
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Crystal Structure of the Sarcin/Ricin Domain from E. COLI 23 S rRNA, U2650-OCH3 modified
分子名称: GLYCEROL, Sarcin/Ricin Domain from E. Coli 23 S rRNA
著者Olieric, V, Rieder, U, Lang, K, Serganov, A, Schulze-Briese, C, Micura, R, Dumas, P, Ennifar, E.
登録日2008-07-21
公開日2009-03-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献A fast selenium derivatization strategy for crystallization and phasing of RNA structures.
Rna, 15, 2009
2Q2H
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BU of 2q2h by Molmil
Crystal structure of the protein secretion chaperone CsaA from Agrobacterium tumefaciens with a genetically fused phage-display derived peptide substrate at the N-terminus.
分子名称: ACETATE ION, CITRIC ACID, Secretion chaperone, ...
著者Feldman, A.R, Shapova, Y.A, Paetzel, M.
登録日2007-05-28
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Phage display and crystallographic analysis reveals potential substrate/binding site interactions in the protein secretion chaperone CsaA from Agrobacterium tumefaciens.
J.Mol.Biol., 379, 2008
3S4P
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Crystal structure of the bacterial ribosomal decoding site complexed with an amphiphilic paromomycin O2''-ether analogue
分子名称: (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-2-O-{2-[(2-phenylethyl)amino]ethyl}-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside, RNA (5'-R(P*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*C)-3')
著者Szychowski, J, Kondo, J, Zahr, O, Auclair, K, Westhof, E, Hanessian, S, Keillor, J.W.
登録日2011-05-20
公開日2011-09-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Inhibition of aminoglycoside-deactivating enzymes APH(3')-IIIa and AAC(6')-Ii by amphiphilic paromomycin O2''-ether analogues
Chemmedchem, 6, 2011
3SDI
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BU of 3sdi by Molmil
Structure of yeast 20S open-gate proteasome with Compound 20
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N~4~-(2,2-dimethylpropyl)-N~1~-{(2S)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenylbutan-2-yl}-N~2~-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-L-aspartamide, ...
著者Sintchak, M.D.
登録日2011-06-09
公開日2012-06-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Optimization of a series of dipeptides with a P3 threonine residue as non-covalent inhibitors of the chymotrypsin-like activity of the human 20S proteasome.
Bioorg.Med.Chem.Lett., 20, 2010
2PG6
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BU of 2pg6 by Molmil
Crystal Structure of Human Microsomal P450 2A6 L240C/N297Q
分子名称: Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE
著者Sansen, S, Hsu, M.H, Stout, C.D, Johnson, E.F.
登録日2007-04-06
公開日2007-07-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Structural insight into the altered substrate specificity of human cytochrome P450 2A6 mutants.
Arch.Biochem.Biophys., 464, 2007
3DZ4
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BU of 3dz4 by Molmil
Human AdoMetDC with 5'-[(2-carboxamidoethyl)methylamino]-5'-deoxy-8-methyladenosine
分子名称: 1,4-DIAMINOBUTANE, 3-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamid e, S-adenosylmethionine decarboxylase alpha chain, ...
著者Bale, S, McCloskey, D.E, Pegg, A.E, Secrist III, J.A, Guida, W.C, Ealick, S.E.
登録日2008-07-29
公開日2009-03-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献New Insights into the Design of Inhibitors of Human S-Adenosylmethionine Decarboxylase: Studies of Adenine C8 Substitution in Structural Analogues of S-Adenosylmethionine
J.Med.Chem., 52, 2009
2PH9
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BU of 2ph9 by Molmil
Galanthamine bound to an ACh-binding Protein
分子名称: (-)-GALANTHAMINE, Soluble acetylcholine receptor, TETRAETHYLENE GLYCOL
著者Hansen, S.B, Taylor, P.
登録日2007-04-10
公開日2007-07-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Galanthamine and non-competitive inhibitor binding to ACh-binding protein: evidence for a binding site on non-alpha-subunit interfaces of heteromeric neuronal nicotinic receptors.
J.Mol.Biol., 369, 2007
2PL2
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BU of 2pl2 by Molmil
Crystal structure of TTC0263: a thermophilic TPR protein in Thermus thermophilus HB27
分子名称: Hypothetical conserved protein TTC0263
著者Lim, H, Kim, K, Han, D, Oh, J.
登録日2007-04-18
公開日2008-03-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of TTC0263, a thermophilic TPR protein from Thermus thermophilus HB27.
Mol.Cell, 24, 2007
3SIE
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BU of 3sie by Molmil
Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors
分子名称: 5-bromo-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, cGMP-specific 3',5'-cyclic phosphodiesterase
著者Chen, T.T, Chen, T, Xu, Y.C.
登録日2011-06-17
公開日2011-08-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors.
J.Med.Chem., 54, 2011
3DWR
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Leishmania major coproporphyrinogen III oxidase with bound ligand
分子名称: ACETATE ION, Coproporphyrinogen III oxidase, cyclopentylacetic acid
著者Le Trong, I, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日2008-07-22
公開日2008-09-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Leishmania major coproporphyrinogen III oxidase with bound ligand
To be Published
2Q8H
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BU of 2q8h by Molmil
Structure of pyruvate dehydrogenase kinase isoform 1 in complex with dichloroacetate (DCA)
分子名称: DICHLORO-ACETIC ACID, POTASSIUM ION, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 1
著者Kato, M, Li, J, Chuang, J.L, Chuang, D.T.
登録日2007-06-10
公開日2007-07-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Distinct Structural Mechanisms for Inhibition of Pyruvate Dehydrogenase Kinase Isoforms by AZD7545, Dichloroacetate, and Radicicol.
Structure, 15, 2007
3DX2
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BU of 3dx2 by Molmil
Golgi mannosidase II complex with MANNOSTATIN B
分子名称: (1R,2R,3R,4S,5R)-4-amino-5-[(R)-methylsulfinyl]cyclopentane-1,2,3-triol, (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
著者Kuntz, D.A, Zhong, W, Guo, J, Rose, D.R, Boons, G.-J.
登録日2008-07-23
公開日2009-07-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The molecular basis of inhibition of Golgi alpha-mannosidase II by mannostatin A.
Chembiochem, 10, 2009
2Q8Q
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BU of 2q8q by Molmil
Crystal Structure of S. aureus IsdE complexed with heme
分子名称: Iron-regulated surface determinant E, PROTOPORPHYRIN IX CONTAINING FE
著者Grigg, J.C, Murphy, M.E.
登録日2007-06-11
公開日2007-07-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Heme Coordination by Staphylococcus aureus IsdE.
J.Biol.Chem., 282, 2007
3SA3
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BU of 3sa3 by Molmil
Crystal structure of wild-type HIV-1 protease in complex with AG23
分子名称: ACETATE ION, N~2~-acetyl-N-[(2S,3R)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-L-isoleucinamide, PHOSPHATE ION, ...
著者Schiffer, C.A, Nalam, M.N.L.
登録日2011-06-02
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance
To be Published
3DZ7
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BU of 3dz7 by Molmil
Human AdoMetDC with 5'-[(carboxamidomethyl)methylamino]-5'-deoxy-8-methyladenosine
分子名称: 1,4-DIAMINOBUTANE, 2-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]acetamide, S-adenosylmethionine decarboxylase alpha chain, ...
著者Bale, S, McCloskey, D.E, Pegg, A.E, Secrist III, J.A, Guida, W.C, Ealick, S.E.
登録日2008-07-29
公開日2009-03-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献New Insights into the Design of Inhibitors of Human S-Adenosylmethionine Decarboxylase: Studies of Adenine C8 Substitution in Structural Analogues of S-Adenosylmethionine
J.Med.Chem., 52, 2009
3SAB
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Crystal structure of wild-type HIV-1 protease in complex with AF78
分子名称: 3-hydroxy-N-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](3-phenylpropyl)amino}-1-phenylbutan-2-yl]benzamide, PHOSPHATE ION, Protease
著者Schiffer, C.A, Nalam, M.N.L.
登録日2011-06-02
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance
To be Published
2PG1
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Structural analysis of a cytoplasmic dynein Light Chain-Intermediate Chain complex
分子名称: Cytoplasmic dynein 1 intermediate chain 2, Dynein light chain 1, cytoplasmic, ...
著者Williams, J.C, Hendrickson, W.A.
登録日2007-04-06
公開日2007-06-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and thermodynamic characterization of a cytoplasmic dynein light chain-intermediate chain complex
Proc.Natl.Acad.Sci.Usa, 104, 2007
2PNU
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BU of 2pnu by Molmil
Crystal structure of human androgen receptor ligand-binding domain in complex with EM-5744
分子名称: (5S,8R,9S,10S,13R,14S,17S)-13-{2-[(3,5-DIFLUOROBENZYL)OXY]ETHYL}-17-HYDROXY-10-METHYLHEXADECAHYDRO-3H-CYCLOPENTA[A]PHENANTHREN-3-ONE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Cantin, L, Faucher, F, Couture, J.F, Pereira de Jesus-Tran, K, Legrand, P, Ciobanu, C.L, Singh, S.M, Labrie, F, Breton, R.
登録日2007-04-25
公開日2007-09-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural Characterization of the Human Androgen Receptor Ligand-binding Domain Complexed with EM5744, a Rationally Designed Steroidal Ligand Bearing a Bulky Chain Directed toward Helix 12.
J.Biol.Chem., 282, 2007
2PGN
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The crystal structure of FAD and ThDP-dependent Cyclohexane-1,2-dione Hydrolase in Complex with Cyclohexane-1,2-dione
分子名称: CYCLOHEXANE-1,2-DIONE, Cyclohexane-1,2-dione Hydrolase (Cdh), FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Fraas, S, Warkentin, E, Ermler, U.
登録日2007-04-10
公開日2008-04-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献The crystal structure of FAD and ThDP-dependent Cyclohexane-1,2-dione Hydrolase in Complex with Cyclohexane-1,2-dione
To be Published
3DZW
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Structure of Narcissus pseudonarcissus lectin complex with Mannobiose at 1.7 A resolution, form II
分子名称: Agglutinin, PHOSPHATE ION, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose
著者Rizkallah, P.J, Ozbey, S, Sauerborn, M.K.
登録日2008-07-30
公開日2009-08-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of Narcissus pseudonarcissus lectin complex with Mannobiose at 1.7 A resolution, form II
To be Published
3SMM
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BU of 3smm by Molmil
Crystal structure of human 14-3-3 sigma C38N/N166H in complex with task-3 peptide and stabilizer Fusicoccin J aglycone
分子名称: 14-3-3 protein sigma, CHLORIDE ION, Fusicoccin J aglycone, ...
著者Anders, C, Schumacher, B, Ottmann, C.
登録日2011-06-28
公開日2012-07-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 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
3SN4
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BU of 3sn4 by Molmil
Crystal structure of putative L-alanine-DL-glutamate epimerase from Burkholderia xenovorans strain LB400 bound to magnesium and alpha-ketoglutarate
分子名称: 2-OXOGLUTARIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者Bonanno, J.B, Patskovsky, Y, Toro, R, Dickey, M, Bain, K.T, Wu, B, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2011-06-28
公開日2011-07-27
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Crystal structure of putative L-alanine-DL-glutamate epimerase from Burkholderia xenovorans strain LB400 bound to magnesium and alpha-ketoglutarate
To be Published
3DN7
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Cyclic nucleotide binding regulatory protein from Cytophaga hutchinsonii.
分子名称: 1,2-ETHANEDIOL, Cyclic nucleotide binding regulatory protein, GLYCEROL
著者Osipiuk, J, Maltseva, N, Abdullah, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2008-07-01
公開日2008-08-26
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray crystal structure of cyclic nucleotide binding regulatory protein from Cytophaga hutchinsonii.
To be Published
3SAA
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Crystal structure of Wild-type HIV-1 protease in complex With AF77
分子名称: N-[(2S,3R)-4-{(cyclohexylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide, PHOSPHATE ION, Protease
著者Schiffer, C.A, Nalam, M.N.L.
登録日2011-06-02
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance
To be Published
3X1V
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Crystal structure of nucleosome core particle in the presence of histone variant involved in reprogramming
分子名称: CHLORIDE ION, DNA (146-MER), Histone H2A type 1-B/E, ...
著者Sivaraman, P, Kumarevel, T.S.
登録日2014-11-28
公開日2015-09-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.921 Å)
主引用文献Structural and functional analyses of nucleosome complexes with mouse histone variants TH2a and TH2b, involved in reprogramming
Biochem.Biophys.Res.Commun., 464, 2015

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