PDB: 45459 件ウェブページステータス検索Chemie searchBIRD

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7NBM	Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the bisubstrate-like inhibitor (33) 分子名称: (E)-3-((5,6-dihydro-2H,4H-thiazolo[5,4,3-ij]quinolin-2-ylidene)amino)-2-hydroxy-1-(4-(isoquinolin-5-yl)piperazin-1-yl)-2-methylpropan-1-one, Nicotinamide N-methyltransferase 著者 Schreuder, H.A, Liesum, A. 登録日 2021-01-27 公開日 2021-03-17 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.691 Å) 主引用文献 Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders. Molecules, 26, 2021
7NBQ	Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the tricyclic inhibitor (4) 分子名称: 2-methyl-1,2,6,7-tetrahydro-3H,5H-pyrido[3,2,1-ij]quinazolin-3-imine, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE 著者 Schreuder, H.A, Liesum, A. 登録日 2021-01-27 公開日 2021-03-17 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.479 Å) 主引用文献 Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders. Molecules, 26, 2021
7NIP	titin N2A unique sequence (UN2A) core 分子名称: Isoform 11 of Titin 著者 Zhou, T, Kovermann, M, Fleming, J.R, Mayans, O. 登録日 2021-02-13 公開日 2021-03-03 最終更新日 2024-06-19 実験手法 SOLUTION NMR 主引用文献 Molecular Characterisation of Titin N2A and Its Binding of CARP Reveals a Titin/Actin Cross-linking Mechanism. J.Mol.Biol., 433, 2021
4W5C	Crystal structure analysis of cruzain with three Fragments: 1 (N-(1H-benzimidazol-2-yl)-1,3-dimethyl-pyrazole-4-carboxamide), 6 (2-amino-4,6-difluorobenzothiazole) and 9 (N-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazole-4-carboxamide). 分子名称: 4,6-difluoro-1,3-benzothiazol-2-amine, Cruzipain, N-(1H-benzimidazol-2-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide, ... 著者 Tochowicz, A, McKerrow, J.H, Craik, C.S. 登録日 2014-08-17 公開日 2015-04-08 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (3.27 Å) 主引用文献 Applying Fragments Based- Drug Design to identify multiple binding modes on cysteine protease. To Be Published
4E8Q	Structure of Oceanobacillus iheyensis group II intron in a ligand-free state in the presence of Tl+ and Mg2+ 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Group IIC intron, MAGNESIUM ION, ... 著者 Marcia, M, Pyle, A.M. 登録日 2012-03-20 公開日 2012-11-14 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.84 Å) 主引用文献 Visualizing Group II Intron Catalysis through the Stages of Splicing. Cell(Cambridge,Mass.), 151, 2012
4W7Y	Dimeric BAP29 vDED with disulfide bonds in crystal contacts 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, B-cell receptor-associated protein 29 著者 Quistgaard, E.M. 登録日 2014-08-22 公開日 2014-10-29 最終更新日 2014-11-19 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 A disulfide polymerized protein crystal. Chem.Commun.(Camb.), 50, 2014
4WBL	Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation F235A 分子名称: 2',3'-cyclic-nucleotide 3'-phosphodiesterase, CHLORIDE ION, GLYCEROL 著者 Myllykoski, M, Raasakka, A, Kursula, P. 登録日 2014-09-03 公開日 2015-09-23 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.501 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
4E8N	Structure of Oceanobacillus iheyensis group II intron in a ligand-free state in the presence of NH4+ and Mg2+ 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AMMONIUM ION, Group IIC intron, ... 著者 Marcia, M, Pyle, A.M. 登録日 2012-03-20 公開日 2012-11-14 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.96 Å) 主引用文献 Visualizing Group II Intron Catalysis through the Stages of Splicing. Cell(Cambridge,Mass.), 151, 2012
4WE2	Donor strand complemented FaeG of F4ab fimbriae 分子名称: K88 fimbrial protein AB 著者 Moonens, K, Van den Broeck, I, De Kerpel, M, Deboeck, F, Raymaekers, H, Remaut, H, De Greve, H. 登録日 2014-09-09 公開日 2015-02-04 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structural and Functional Insight into the Carbohydrate Receptor Binding of F4 Fimbriae-producing Enterotoxigenic Escherichia coli. J.Biol.Chem., 290, 2015
4NWP	Computationally Designed Two-Component Self-Assembling Tetrahedral Cage, T33-21, Crystallized in Space Group R32 分子名称: AMMONIUM ION, Putative uncharacterized protein, SULFATE ION, ... 著者 McNamara, D.E, King, N.P, Bale, J.B, Sheffler, W, Baker, D, Yeates, T.O. 登録日 2013-12-06 公開日 2014-05-28 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Accurate design of co-assembling multi-component protein nanomaterials. Nature, 510, 2014
4V3Q	Designed armadillo repeat protein with 4 internal repeats, 2nd generation C-cap and 3rd generation N-cap. 分子名称: CALCIUM ION, GLYCEROL, YIII_M4_AII 著者 Reichen, C, Madhurantakam, C, Pluckthun, A, Mittl, P. 登録日 2014-10-20 公開日 2016-01-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structures of designed armadillo-repeat proteins show propagation of inter-repeat interface effects. Acta Crystallogr D Struct Biol, 72, 2016
6E5P	Backbone model based on cryo-EM map at 8.5 A of domain-swapped, glycan-reactive, neutralizing antibody 2G12 bound to HIV-1 Env BG505 DS-SOSIP, which was also bound to CD4-binding site antibody VRC03 分子名称: 2G12 Light chain, 2G12 heavy chain, Envelope glycoprotein gp120, ... 著者 Acharya, P, Kwong, P.D. 登録日 2018-07-21 公開日 2019-02-13 最終更新日 2024-03-13 実験手法 ELECTRON MICROSCOPY (8.8 Å) 主引用文献 Structural Survey of Broadly Neutralizing Antibodies Targeting the HIV-1 Env Trimer Delineates Epitope Categories and Characteristics of Recognition. Structure, 27, 2019
4NZF	Crystal structure of Abp-D197A (a GH27-b-L-arabinopyranosidase from Geobacillus stearothermophilus), in complex with arabinose 分子名称: Abp, a GH27 beta-L-arabinopyranosidase, CITRIC ACID, ... 著者 Lansky, S, Solomon, H.V, Salama, R, Belrhali, H, Shoham, Y, Shoham, G. 登録日 2013-12-12 公開日 2014-12-03 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 Structure-specificity relationships in Abp, a GH27 beta-L-arabinopyranosidase from Geobacillus stearothermophilus T6 Acta Crystallogr.,Sect.D, 70, 2014
4W80	Tetrameric BAP29 vDED with disulfide bonds in crystal contacts 分子名称: B-cell receptor-associated protein 29, SULFATE ION 著者 Quistgaard, E.M. 登録日 2014-08-22 公開日 2014-10-29 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 A disulfide polymerized protein crystal. Chem.Commun.(Camb.), 50, 2014
6EAG	CRYSTAL STRUCTURE OF FUSION INHIBITOR JNJ-2408068 IN COMPLEX WITH HUMAN RESPIRATORY SYNCYTIAL VIRUS FUSION GLYCOPROTEIN ESCAPE VARIANT G143S STABILIZED IN THE PREFUSION STATE 分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-[[2-[[1-(2-azanylethyl)piperidin-4-yl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol, D(-)-TARTARIC ACID, ... 著者 Battles, M.B, McLellan, J.S. 登録日 2018-08-03 公開日 2019-08-07 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (3.302 Å) 主引用文献 Structural Basis for Respiratory Syncytial Virus Fusion Inhibitor Resistance To be published
6EAN	CRYSTAL STRUCTURE OF HUMAN RESPIRATORY SYNCYTIAL VIRUS FUSION GLYCOPROTEIN INHIBITOR ESCAPE VARIANT F488I STABILIZED IN THE PREFUSION STATE 分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, ... 著者 Battles, M.B, McLellan, J.S. 登録日 2018-08-03 公開日 2019-08-07 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Structural Basis for Respiratory Syncytial Virus Fusion Inhibitor Resistance To be published
4URE	Molecular Genetic and Crystal Structural Analysis of 1-(4- Hydroxyphenyl)-Ethanol Dehydrogenase from Aromatoleum aromaticum EbN1 分子名称: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ACETATE ION, CYCLOHEXANOL DEHYDROGENASE, ... 著者 Buesing, I, Hoeffken, H.W, Breuer, M, Woehlbrand, L, Hauer, B, Rabus, R. 登録日 2014-06-28 公開日 2015-07-08 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Molecular Genetic and Crystal Structural Analysis of 1-(4-Hydroxyphenyl)-Ethanol Dehydrogenase from 'Aromatoleum Aromaticum' Ebn1. J.Mol.Microbiol.Biotechnol., 25, 2015
4NNW	yCP in complex with Z-Leu-Leu-Leu-ketoaldehyde 分子名称: MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S)-1,2-dihydroxy-5-methylhexan-3-yl]-L-leucinamide, Probable proteasome subunit alpha type-7, ... 著者 Stein, M.L, Cui, H, Beck, P, Dubiella, C, Voss, C, Krueger, A, Schmidt, B, Groll, M. 登録日 2013-11-19 公開日 2014-02-12 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif. Angew.Chem.Int.Ed.Engl., 53, 2014
7NM3	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-135 分子名称: 14-3-3 protein sigma, 4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde, CALCIUM ION, ... 著者 Wolter, M, Ottmann, C. 登録日 2021-02-23 公開日 2021-06-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
7NM1	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-126 分子名称: 14-3-3 protein sigma, 4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzaldehyde, CALCIUM ION, ... 著者 Wolter, M, Ottmann, C. 登録日 2021-02-23 公開日 2021-06-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
7NK5	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-124 分子名称: 1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine, 14-3-3 protein sigma, CALCIUM ION, ... 著者 Wolter, M, Ottmann, C. 登録日 2021-02-17 公開日 2021-06-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
4W6A	Crystal Structure of Full-Length Split GFP Mutant Q157C Disulfide Dimer, P 32 2 1 Space Group 分子名称: fluorescent protein Q157C 著者 Leibly, D.J, Waldo, G.S, Yeates, T.O. 登録日 2014-08-20 公開日 2015-02-18 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.991 Å) 主引用文献 A Suite of Engineered GFP Molecules for Oligomeric Scaffolding. Structure, 23, 2015
7NLA	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-119 分子名称: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... 著者 Wolter, M, Ottmann, C. 登録日 2021-02-22 公開日 2021-06-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
7NLE	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-118 分子名称: 14-3-3 protein sigma, 4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde, CHLORIDE ION, ... 著者 Wolter, M, Ottmann, C. 登録日 2021-02-22 公開日 2021-06-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
6ELP	Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation 分子名称: 4-[2-(2-chlorophenyl)pyrazol-3-yl]-6-(2-pyridin-2-ylethyl)benzene-1,3-diol, Heat shock protein HSP 90-alpha 著者 Musil, D, Lehmann, M, Eggenweiler, H.-M. 登録日 2017-09-29 公開日 2018-05-30 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations. J Chem Theory Comput, 14, 2018

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