4W99
 
 | | Apo-structure of the Y79F,W322E-double mutant of Etr1p | | 分子名称: | Enoyl-[acyl-carrier-protein] reductase [NADPH, B-specific] 1, mitochondrial, ... | | 著者 | Quade, N, Voegeli, B, Rosenthal, R, Erb, T.J. | | 登録日 | 2014-08-27 | | 公開日 | 2015-03-18 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The use of ene adducts to study and engineer enoyl-thioester reductases.
Nat.Chem.Biol., 11, 2015
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4W9K
 | | pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-((S)-2-acetamido-3-phenylpropanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 14) | | 分子名称: | N-acetyl-L-phenylalanyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | | 著者 | Gadd, M.S, Galdeano, C, van Molle, I, Ciulli, A. | | 登録日 | 2014-08-27 | | 公開日 | 2014-09-10 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
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4W9Y
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4WAF
 | | Crystal Structure of a novel tetrahydropyrazolo[1,5-a]pyrazine in an engineered PI3K alpha | | 分子名称: | N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Knapp, M.S, Elling, R.A. | | 登録日 | 2014-08-29 | | 公開日 | 2014-12-31 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Structure-Based Drug Design of Novel Potent and Selective Tetrahydropyrazolo[1,5-a]pyrazines as ATR Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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4WBB
 | | Single Turnover Autophosphorylation Cycle of the PKA RIIb Holoenzyme | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ... | | 著者 | Zhang, P, Knape, M.J, Ahuja, L.G, Keshwani, M.M, King, C.C, Sastri, M, Herberg, F.W, Taylor, S.S. | | 登録日 | 2014-09-02 | | 公開日 | 2015-05-20 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Single Turnover Autophosphorylation Cycle of the PKA RII beta Holoenzyme.
Plos Biol., 13, 2015
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4V7H
 | | Structure of the 80S rRNA and proteins and P/E tRNA for eukaryotic ribosome based on cryo-EM map of Thermomyces lanuginosus ribosome at 8.9A resolution | | 分子名称: | 18S rRNA, 26S ribosomal RNA, 40S ribosomal protein S0(A), ... | | 著者 | Taylor, D.J, Devkota, B, Huang, A.D, Topf, M, Narayanan, E, Sali, A, Harvey, S.C, Frank, J. | | 登録日 | 2009-09-22 | | 公開日 | 2014-07-09 | | 最終更新日 | 2024-02-28 | | 実験手法 | ELECTRON MICROSCOPY (8.9 Å) | | 主引用文献 | Comprehensive molecular structure of the eukaryotic ribosome.
Structure, 17, 2009
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4WBS
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4WC8
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4WCC
 | | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation P225G | | 分子名称: | 2',3'-cyclic-nucleotide 3'-phosphodiesterase, ADENOSINE-2'-MONOPHOSPHATE, CHLORIDE ION | | 著者 | Myllykoski, M, Raasakka, A, Kursula, P. | | 登録日 | 2014-09-04 | | 公開日 | 2015-09-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
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4WCU
 | | PDE4 complexed with inhibitor | | 分子名称: | MAGNESIUM ION, N-benzyl-2-{6-[(3,5-dichloropyridin-4-yl)acetyl]-2,3-dimethoxyphenoxy}acetamide, ZINC ION, ... | | 著者 | Sorensen, M.D. | | 登録日 | 2014-09-05 | | 公開日 | 2014-10-08 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Discovery and Early Clinical Development of 2-{6-[2-(3,5-Dichloro-4-pyridyl)acetyl]-2,3-dimethoxyphenoxy}-N-propylacetamide (LEO 29102), a Soft-Drug Inhibitor of Phosphodiesterase 4 for Topical Treatment of Atopic Dermatitis.
J. Med. Chem., 57, 2014
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4WDB
 | | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation R307Q, complexed with 2'-AMP | | 分子名称: | 2',3'-cyclic-nucleotide 3'-phosphodiesterase, ADENOSINE-2'-MONOPHOSPHATE, CHLORIDE ION | | 著者 | Myllykoski, M, Raasakka, A, Kursula, P. | | 登録日 | 2014-09-08 | | 公開日 | 2015-09-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
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4WDT
 | | 17beta-HSD5 in complex with 2-nitro-5-(phenylsulfonyl)phenol | | 分子名称: | 2-nitro-5-(phenylsulfonyl)phenol, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Amano, Y, Yamaguchi, T. | | 登録日 | 2014-09-09 | | 公開日 | 2015-04-15 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structures of complexes of type 5 17 beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding.
Acta Crystallogr.,Sect.D, 71, 2015
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4WDY
 | | JC Polyomavirus VP1 five-fold pore mutant N221Q | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein VP1 | | 著者 | Stroh, L.J, Stehle, T. | | 登録日 | 2014-09-09 | | 公開日 | 2015-02-18 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Modulation of a Pore in the Capsid of JC Polyomavirus Reduces Infectivity and Prevents Exposure of the Minor Capsid Proteins.
J.Virol., 89, 2015
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4UZU
 | | Three-dimensional structure of a variant `Termamyl-like' Geobacillus stearothermophilus alpha-amylase at 1.9 A resolution | | 分子名称: | ALPHA-AMYLASE, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Offen, W.A, Anderson, C, Borchert, T.V, Wilson, K.S, Davies, G.J. | | 登録日 | 2014-09-09 | | 公開日 | 2015-01-14 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Three-Dimensional Structure of a Variant `Termamyl-Like' Geobacillus Stearothermophilus Alpha-Amylase at 1.9 A Resolution
Acta Crystallogr.,Sect.F, 71, 2015
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4V24
 | | Sphingosine kinase 1 in complex with PF-543 | | 分子名称: | ACETATE ION, SPHINGOSINE KINASE 1, {(2R)-1-[4-({3-METHYL-5-[(PHENYLSULFONYL)METHYL]PHENOXY}METHYL)BENZYL]PYRROLIDIN-2-YL}METHANOL | | 著者 | Elkins, J.M, Wang, J, Sorrell, F, Tallant, C, Wang, D, Shrestha, L, Bountra, C, von Delft, F, Knapp, S, Edwards, A. | | 登録日 | 2014-10-05 | | 公開日 | 2014-10-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal Structure of Sphingosine Kinase 1 with Pf-543.
Acs Med.Chem.Lett., 5, 2014
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4USA
 | | Aldehyde Oxidoreductase from Desulfovibrio gigas (MOP), soaked with trans-cinnamaldehyde | | 分子名称: | (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), ALDEHYDE OXIDOREDUCTASE, BICARBONATE ION, ... | | 著者 | Correia, H.D, Romao, M.J, Santos-Silva, T. | | 登録日 | 2014-07-03 | | 公開日 | 2014-10-08 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | Aromatic Aldehydes at the Active Site of Aldehyde Oxidoreductase from Desulfovibrio Gigas: Reactivity and Molecular Details of the Enzyme-Substrate and Enzyme-Product Interaction.
J.Biol.Inorg.Chem., 20, 2015
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4UWV
 | | Lysozyme soaked with a ruthenium based CORM with a pyridine ligand (complex 8) | | 分子名称: | CARBON MONOXIDE, CHLORIDE ION, LYSOZYME C, ... | | 著者 | Santos, M.F.A, Mukhopadhyay, A, Romao, M.J, Romao, C.C, Santos-Silva, T. | | 登録日 | 2014-08-14 | | 公開日 | 2014-12-10 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | A Contribution to the Rational Design of Ru(Co)3Cl2L Complexes for in Vivo Delivery of Co.
Dalton Trans, 44, 2015
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4UYL
 | | Crystal structure of sterol 14-alpha demethylase (CYP51B) from a pathogenic filamentous fungus Aspergillus fumigatus in complex with VNI | | 分子名称: | 14-ALPHA STEROL DEMETHYLASE, N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. | | 登録日 | 2014-09-01 | | 公開日 | 2015-08-19 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Structure-Functional Characterization of Cytochrome P450 Sterol Alpha-Demethylase (Cyp51B) from Aspergillus Fumigatus and Molecular Basis for the Development of Antifungal Drugs
J.Biol.Chem., 290, 2015
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4UZF
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4V3H
 | | Crystal structure of CymA from Klebsiella oxytoca | | 分子名称: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CYMA PROTEIN, NITRATE ION | | 著者 | van den Berg, B, Bhamidimarri, S.P, Kleinekathoefer, U, Winterhalter, M. | | 登録日 | 2014-10-18 | | 公開日 | 2015-06-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Outer-membrane translocation of bulky small molecules by passive diffusion.
Proc. Natl. Acad. Sci. U.S.A., 112, 2015
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4UQQ
 | | Electron density map of GluK2 desensitized state in complex with 2S,4R-4-methylglutamate | | 分子名称: | GLUTAMATE RECEPTOR IONOTROPIC, KAINATE 2, GLUTAMIC ACID | | 著者 | Meyerson, J.R, Kumar, J, Chittori, S, Rao, P, Pierson, J, Bartesaghi, A, Mayer, M.L, Subramaniam, S. | | 登録日 | 2014-06-24 | | 公開日 | 2014-08-13 | | 最終更新日 | 2017-08-02 | | 実験手法 | ELECTRON MICROSCOPY (7.6 Å) | | 主引用文献 | Structural Mechanism of Glutamate Receptor Activation and Desensitization
Nature, 514, 2014
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4USC
 | | Crystal structure of peroxidase from palm tree Chamaerops excelsa | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Bernardes, A, Santos, J.C, Textor, L.C, Cuadrado, N.H, Kostetsky, E.Y, Roig, M.G, Muniz, J.R.C, Shnyrov, V.L, Polikarpov, I. | | 登録日 | 2014-07-07 | | 公開日 | 2015-05-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal Structure Analysis of Peroxidase from the Palm Tree Chamaerops Excelsa.
Biochimie, 111, 2015
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4USO
 | | X-ray structure of the CCL2 lectin in complex with sialyl lewis X | | 分子名称: | CCL2 LECTIN, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Bleuler-Martinez, S, Varrot, A, Schubert, M, Stutz, M, Sieber, R, Hengartner, M, Aebi, M, Kunzler, M. | | 登録日 | 2014-07-11 | | 公開日 | 2015-07-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Dimerization of the fungal defense lectin CCL2 is essential for its toxicity against nematodes.
Glycobiology, 27, 2017
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4UVM
 | | In meso crystal structure of the POT family transporter PepTSo | | 分子名称: | (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, GLUTATHIONE UPTAKE TRANSPORTER | | 著者 | Lyons, J.A, Solcan, N, Caffrey, M, Newstead, S. | | 登録日 | 2014-08-07 | | 公開日 | 2015-02-04 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Gating Topology of the Proton-Coupled Oligopeptide Symporters.
Structure, 23, 2015
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4UW7
 | | Structure of the carboxy-terminal domain of the bacteriophage T5 L- shaped tail fiber without its intra-molecular chaperone domain | | 分子名称: | GLYCEROL, L-SHAPED TAIL FIBER PROTEIN | | 著者 | Garcia-Doval, C, Luque, D, Caston, J.R, Otero, J.M, Llamas-Saiz, A.L, Boulanger, P, van Raaij, M.J. | | 登録日 | 2014-08-08 | | 公開日 | 2015-08-05 | | 最終更新日 | 2018-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | Structure of the Receptor-Binding Carboxy-Terminal Domain of the Bacteriophage T5 L-Shaped Tail Fibre with and without Its Intra-Molecular Chaperone.
Viruses, 7, 2015
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