5G0T
 
 | | InhA in complex with a DNA encoded library hit | | 分子名称: | 1-benzyl-N-[cis-4-(2-{[(4-fluorophenyl)methyl][2-(methylamino)-2-oxoethyl]amino}-2-oxoethyl)cyclohexyl]-5-methyl-1H-1,2,3-triazole-4-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Read, J.A, Breed, J. | | 登録日 | 2016-03-22 | | 公開日 | 2016-11-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology
Proc.Natl.Acad.Sci.USA, 113, 2016
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3K90
 | | The Abscisic acid receptor PYR1 in complex with Abscisic Acid | | 分子名称: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ACETIC ACID, GLYCEROL, ... | | 著者 | Dupeux, F.D, Santiago, J, Rodriguez, P.L, Marquez, J.A. | | 登録日 | 2009-10-15 | | 公開日 | 2009-11-10 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The abscisic acid receptor PYR1 in complex with abscisic acid.
Nature, 462, 2009
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5EHJ
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-[(4aR,8aR)-octahydronaphthalen-2(1H)-ylidenemethanediyl]diphenol | | 分子名称: | 4,4'-[(4aR,8aR)-octahydronaphthalen-2(1H)-ylidenemethanediyl]diphenol, Estrogen receptor, NCOA2 | | 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 | 2015-10-28 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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5EIT
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the imidazopyridine derivative 2-(4-hydroxyphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-ol | | 分子名称: | 2-(4-hydroxyphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-ol, Estrogen receptor, NCOA2 | | 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 | 2015-10-30 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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5G0V
 | | InhA in complex with a DNA encoded library hit | | 分子名称: | ENOYL-ACYL CARRIER PROTEIN REDUCTASE, MAGNESIUM ION, N-[2-(methylamino)-2-oxidanylidene-ethyl]-2-(4-pyrazol-1-ylphenyl)-N-(1-pyridin-2-ylpiperidin-4-yl)ethanamide, ... | | 著者 | Read, J.A, Breed, J. | | 登録日 | 2016-03-22 | | 公開日 | 2016-11-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology
Proc.Natl.Acad.Sci.USA, 113, 2016
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5FOY
 | | De novo structure of the binary mosquito larvicide BinAB at pH 7 | | 分子名称: | 41.9 KDA INSECTICIDAL TOXIN, LARVICIDAL TOXIN 51 KDA PROTEIN | | 著者 | Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S. | | 登録日 | 2015-11-26 | | 公開日 | 2016-10-05 | | 最終更新日 | 2019-08-28 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure.
Nature, 539, 2016
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5FQM
 | | Last common ancestor of Gram Negative Bacteria (GNCA) Class A beta- lactamase | | 分子名称: | GLYCEROL, GNCA BETA LACTAMASE, SULFATE ION | | 著者 | Martinez Rodriguez, S, Gavira, J.A, Risso, V.A, Sanchez Ruiz, J.M. | | 登録日 | 2015-12-12 | | 公開日 | 2017-01-18 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
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5ET4
 | | Structure of RNase A-K7H/R10H in complex with 3'-CMP | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CYTIDINE-3'-MONOPHOSPHATE, Ribonuclease pancreatic | | 著者 | Blanco, J.A, Salazar, V.A, Moussaoui, M, Boix, E. | | 登録日 | 2015-11-17 | | 公開日 | 2016-11-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Characterization of an RNase with two catalytic centers. Human RNase6 catalytic and phosphate-binding site arrangement favors the endonuclease cleavage of polymeric substrates.
Biochim Biophys Acta Gen Subj, 1863, 2019
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5EVG
 | | Crystal structure of a Francisella virulence factor FvfA in the orthorhombic form | | 分子名称: | Francisella virulence factor | | 著者 | Kolappan, S, Lo, K.Y, Shen, C.L.J, Guttman, J.A, Craig, L. | | 登録日 | 2015-11-19 | | 公開日 | 2016-10-26 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Structure of the conserved Francisella virulence protein FvfA.
Acta Crystallogr D Struct Biol, 73, 2017
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5EW5
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3J40
 | | Validated Near-Atomic Resolution Structure of Bacteriophage Epsilon15 Derived from Cryo-EM and Modeling | | 分子名称: | gp10, gp7 | | 著者 | Baker, M.L, Hryc, C.F, Zhang, Q, Wu, W, Jakana, J, Haase-Pettingell, C, Afonine, P.V, Adams, P.D, King, J.A, Jiang, W, Chiu, W. | | 登録日 | 2013-05-30 | | 公開日 | 2013-07-10 | | 最終更新日 | 2024-02-21 | | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | | 主引用文献 | Validated near-atomic resolution structure of bacteriophage epsilon15 derived from cryo-EM and modeling.
Proc.Natl.Acad.Sci.USA, 110, 2013
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5G5K
 | | Crystal structure of NagZ from Pseudomonas aeruginosa in complex with the inhibitor 2-acetamido-1,2-dideoxynojirimycin | | 分子名称: | 2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN, BETA-HEXOSAMINIDASE | | 著者 | Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A. | | 登録日 | 2016-05-25 | | 公開日 | 2017-05-17 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa.
J. Am. Chem. Soc., 139, 2017
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3K2S
 | | Solution structure of double super helix model | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Apolipoprotein A-I, CHOLESTEROL | | 著者 | Wu, Z, Gogonea, V, Lee, X, Wagner, M.A, Li, X.-M, Huang, Y, Undurti, A, May, R.P, Haertlein, M, Moulin, M, Gutsche, I, Zaccai, G, Didonato, J.A, Hazen, L.S. | | 登録日 | 2009-09-30 | | 公開日 | 2010-04-07 | | 最終更新日 | 2024-02-21 | | 実験手法 | SOLUTION SCATTERING | | 主引用文献 | Double superhelix model of high density lipoprotein.
J.Biol.Chem., 284, 2009
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3JVA
 | | Crystal structure of Dipeptide Epimerase from Enterococcus faecalis V583 | | 分子名称: | Dipeptide Epimerase, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Fedorov, A.A, Fedorov, E.V, Sakai, A, Imker, H, Gerlt, J.A, Almo, S.C. | | 登録日 | 2009-09-16 | | 公開日 | 2010-08-11 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3K82
 | | Crystal Structure of the third PDZ domain of PSD-95 | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Disks large homolog 4, GLYCEROL, ... | | 著者 | Camara-Artigas, A, Gavira, J.A. | | 登録日 | 2009-10-13 | | 公開日 | 2010-04-07 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Novel conformational aspects of the third PDZ domain of the neuronal post-synaptic density-95 protein revealed from two 1.4A X-ray structures
J.Struct.Biol., 170, 2010
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3JTK
 | | Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA and inhibitor DDD90055 | | 分子名称: | (2R)-3-benzyl-2-(2-bromo-4-hydroxy-5-methoxyphenyl)-1,3-thiazolidin-4-one, Glycylpeptide N-tetradecanoyltransferase 1, TETRADECANOYL-COA | | 著者 | Qiu, W, Hutchinson, A, Wernimont, A, Lin, Y.-H, Kania, A, Ravichandran, M, Kozieradzki, I, Cossar, D, Schapira, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Wyatt, P.G, Ferguson, M.A.J, Frearson, J.A, Brand, S.Y, Robinson, D.A, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | | 登録日 | 2009-09-12 | | 公開日 | 2009-09-22 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA and inhibitor DDD90055
To be Published
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3K65
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3J41
 | | Pseudo-atomic model of the Aquaporin-0/Calmodulin complex derived from electron microscopy | | 分子名称: | CALCIUM ION, Calmodulin, Lens fiber major intrinsic protein | | 著者 | Reichow, S.L, Clemens, D.M, Freites, J.A, Nemeth-Cahalan, K.L, Heyden, M, Tobias, D.J, Hall, J.E, Gonen, T. | | 登録日 | 2013-05-31 | | 公開日 | 2013-07-31 | | 最終更新日 | 2024-02-21 | | 実験手法 | ELECTRON MICROSCOPY (25 Å) | | 主引用文献 | Allosteric mechanism of water-channel gating by Ca(2+)-calmodulin.
Nat.Struct.Mol.Biol., 20, 2013
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5EEL
 | | Grb7 SH2 with bicyclic peptide inhibitor | | 分子名称: | Bicyclic Peptide Inhibitor, FORMIC ACID, Growth factor receptor-bound protein 7, ... | | 著者 | Watson, G.M, Gunzburg, M.J, Wilce, M.C.J, Wilce, J.A. | | 登録日 | 2015-10-23 | | 公開日 | 2016-06-15 | | 最終更新日 | 2018-12-26 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | Unexpected involvement of staple leads to redesign of selective bicyclic peptide inhibitor of Grb7.
Sci Rep, 6, 2016
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5EHD
 | | Crystal structure of human nucleophosmin-core in complex with cytochrome c | | 分子名称: | CHLORIDE ION, Nucleophosmin | | 著者 | Bernardo-Garcia, N, Hermoso, J.A, Gonzalez-Arzola, K, Diaz-Moreno, I, De la Rosa, M.A. | | 登録日 | 2015-10-28 | | 公開日 | 2016-11-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Crystal structure of human nucleophosmin-core in complex with cytochrome c
To Be Published
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5DXP
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol | | 分子名称: | 4-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol, 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 | 2015-09-23 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.201 Å) | | 主引用文献 | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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5DZ0
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-[(4-methylcyclohexylidene)methanediyl]diphenol | | 分子名称: | 4,4'-[(4-methylcyclohexylidene)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 (2.24 Å) | | 主引用文献 | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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5E08
 | | Specific Recognition of a Single-stranded RNA Sequence by an Engineered Synthetic Antibody Fragment | | 分子名称: | Fab Heavy Chain, Fab Light Chain, RNA | | 著者 | Huang, H, Qin, D, Li, N, Shao, Y, Staley, J.P, Kossiakoff, A.A, Koide, S, Piccirilli, J.A. | | 登録日 | 2015-09-28 | | 公開日 | 2016-09-21 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Specific Recognition of a Single-Stranded RNA Sequence by a Synthetic Antibody Fragment.
J.Mol.Biol., 428, 2016
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5EBH
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5EC6
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