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PDB: 42254 件

6E23
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Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methylpyridin-3-yl)-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}benzamide, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-07-10
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
3V2G
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Crystal structure of a dehydrogenase/reductase from Sinorhizobium meliloti 1021
分子名称: 3-oxoacyl-[acyl-carrier-protein] reductase, SULFATE ION
著者Agarwal, R, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC)
登録日2011-12-12
公開日2012-01-04
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of a dehydrogenase/reductase from Sinorhizobium meliloti 1021
To be Published
5HLW
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Crystal structure of c-Met mutant Y1230H in complex with compound 14
分子名称: 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(6-{[6-(thiophen-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)urea, CHLORIDE ION, Hepatocyte growth factor receptor
著者Vallee, F, Pouzieux, S, Marquette, J.P, Houtmann, J.
登録日2016-01-15
公開日2016-11-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844).
J.Med.Chem., 59, 2016
6E22
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Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
分子名称: 3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide, SULFATE ION, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-07-10
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
5HRT
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Crystal structure of mouse autotaxin in complex with a DNA aptamer
分子名称: CALCIUM ION, CHLORIDE ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ...
著者Kato, K, Nishimasu, H, Morita, J, Ishitani, R, Nureki, O.
登録日2016-01-24
公開日2016-04-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献Structural basis for specific inhibition of Autotaxin by a DNA aptamer
Nat.Struct.Mol.Biol., 23, 2016
3V7D
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Crystal Structure of ScSkp1-ScCdc4-pSic1 peptide complex
分子名称: Cell division control protein 4, Protein SIC1, Suppressor of kinetochore protein 1
著者Tang, X, Orlicky, S, Mittag, T, Csizmok, V, Pawson, T, Forman-Kay, J, Sicheri, F, Tyers, M.
登録日2011-12-20
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.306 Å)
主引用文献Composite low affinity interactions dictate recognition of the cyclin-dependent kinase inhibitor Sic1 by the SCFCdc4 ubiquitin ligase.
Proc.Natl.Acad.Sci.USA, 109, 2012
5DRJ
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Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a dichloro-substituted, 3-methyl 2,5-diarylthiophene-core ligand 4,4'-(3-methylthiene-2,5-diyl)bis(3-chlorophenol)
分子名称: 4,4'-(3-methylthiene-2,5-diyl)bis(3-chlorophenol), Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-09-15
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
3UEW
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Bovine beta-lactoglobulin complex with palmitic acid
分子名称: Beta-lactoglobulin, ETHANOL, PALMITIC ACID
著者Loch, J, Lewinski, K.
登録日2011-10-31
公開日2011-11-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Bovine beta-lactoglobulin complex with palmitic acid
Int.J.Biol.Macromol., 50, 2012
5DWJ
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Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Resorcinyl 4-Fluoro-substituted Diaryl-imine analog 4-[(E)-[(4-fluorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol
分子名称: 4-[(E)-[(4-fluorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Wright, N.J, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-09-22
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5DZI
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BU of 5dzi by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol
分子名称: 4,4'-{[(3S)-3-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-09-25
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
7VDO
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BU of 7vdo by Molmil
Crystal structure of KRED F147L/L153Q/Y190P variant
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, ...
著者Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J.
登録日2021-09-07
公開日2022-05-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85571563 Å)
主引用文献Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition
Nat Catal, 2022
7VE7
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BU of 7ve7 by Molmil
Crystal structure of KRED mutant-F147L/L153Q/Y190P/L199A/M205F/M206F
分子名称: 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J.
登録日2021-09-08
公開日2022-05-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.720007 Å)
主引用文献Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition
Nat Catal, 2022
5E0W
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Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-(4-hydroxyphenyl)cyclohexylidene]methanediyl}diphenol
分子名称: 4,4'-{[(3S)-3-(4-hydroxyphenyl)cyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-09-29
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5DWI
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BU of 5dwi by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Resorcinyl 2-Chloro-substituted Diaryl-imine analog 4-[(E)-[(2-chlorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol
分子名称: 4-[(E)-[(2-chlorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Wright, N.J, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-09-22
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5DK2
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BU of 5dk2 by Molmil
Fc Heterodimer E356K/D399K + K392D/K409D
分子名称: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
登録日2015-09-02
公開日2016-03-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
3UOE
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The crystal structure of dehydrogenase from Sinorhizobium meliloti
分子名称: Dehydrogenase
著者Zhang, Z, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC)
登録日2011-11-16
公開日2011-11-30
実験手法X-RAY DIFFRACTION (2.311 Å)
主引用文献The crystal structure of dehydrogenase from Sinorhizobium meliloti
To be Published
5DLH
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SFX structure of thermolysin
分子名称: CALCIUM ION, Thermolysin, ZINC ION
著者DeMirci, H.D, Sauter, N.K, Brewster, A.S, Kern, J.
登録日2015-09-04
公開日2015-11-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2501 Å)
主引用文献Serial Femtosecond Crystallography of Ribosome-Antibiotic and Photosystem II Complexes at Ambient Temperature using a Concentric Electrospinning Injector.
To Be Published
5DJZ
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Fc Heterodimer Design 7.8 D399M/Y407A + T366V/K409V
分子名称: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
登録日2015-09-02
公開日2016-03-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5L2J
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Crystal Structure of human CD1b in complex with C36-GMM
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-O-[(2R,3R)-3-hydroxy-2-tetradecyldocosanoyl]-alpha-L-idopyranose, ACETATE ION, ...
著者Gras, S, Shahine, A, Le Nours, J, Rossjohn, J.
登録日2016-08-02
公開日2016-11-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献T cell receptor recognition of CD1b presenting a mycobacterial glycolipid.
Nat Commun, 7, 2016
5HWV
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Crystal structure of PAS1 complexed with toluene
分子名称: Sensor histidine kinase TodS, TOLUENE
著者Hwang, J, Koh, S.
登録日2016-01-29
公開日2016-03-02
最終更新日2017-12-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Molecular Insights into Toluene Sensing in the TodS/TodT Signal Transduction System.
J. Biol. Chem., 291, 2016
5HPE
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BU of 5hpe by Molmil
Phosphatase domain of PP5 bound to a phosphomimetic Cdc37 substrate peptide
分子名称: COBALT HEXAMMINE(III), MANGANESE (II) ION, Serine/threonine-protein phosphatase 5,Hsp90 co-chaperone Cdc37
著者Oberoi, J, Mariotti, L, Vaughan, C.
登録日2016-01-20
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural and functional basis of protein phosphatase 5 substrate specificity.
Proc.Natl.Acad.Sci.USA, 113, 2016
4GES
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BU of 4ges by Molmil
crystal structure of GFP-TYR151PYZ with an unnatural amino acid incorporation
分子名称: Green fluorescent protein
著者Dong, J, Liu, X, Li, J, Wang, J, Gong, W.
登録日2012-08-02
公開日2012-08-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Genetic incorporation of a metal-chelating amino Acid as a probe for protein electron transfer.
Angew.Chem.Int.Ed.Engl., 51, 2012
1WY3
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BU of 1wy3 by Molmil
Chicken villin subdomain HP-35, K65(NLE), N68H, pH7.0
分子名称: Villin
著者Chiu, T.K, Kubelka, J, Herbst-Irmer, R, Eaton, W.A, Hofrichter, J, Davies, D.R.
登録日2005-02-04
公開日2005-05-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献High-resolution x-ray crystal structures of the villin headpiece subdomain, an ultrafast folding protein.
Proc.Natl.Acad.Sci.Usa, 102, 2005
1WY4
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Chicken villin subdomain HP-35, K65(NLE), N68H, pH5.1
分子名称: IODIDE ION, SODIUM ION, Villin
著者Chiu, T.K, Kubelka, J, Herbst-Irmer, R, Eaton, W.A, Hofrichter, J, Davies, D.R.
登録日2005-02-04
公開日2005-05-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献High-resolution x-ray crystal structures of the villin headpiece subdomain, an ultrafast folding protein.
Proc.Natl.Acad.Sci.Usa, 102, 2005
6EP3
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Lar controls the expression of the Listeria monocytogenes agr system and mediates virulence.
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lmo0651 protein, ...
著者Pinheiro, J, Lisboa, J, Carvalho, F, Carreaux, A, Santos, N, Cabral, J, Sousa, S, Cabanes, D.
登録日2017-10-10
公開日2018-07-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献MouR controls the expression of the Listeria monocytogenes Agr system and mediates virulence.
Nucleic Acids Res., 46, 2018

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