PDB: 56024 件ウェブページステータス検索Chemie searchBIRD

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5SH9	Crystal Structure of human phosphodiesterase 10 in complex with 2-[2-[5-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine 分子名称: (4S)-2-(2-{3-[(3R)-3-fluoropyrrolidin-1-yl]-1-methyl-1H-1,2,4-triazol-5-yl}ethyl)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazine, MAGNESIUM ION, TETRAETHYLENE GLYCOL, ... 著者 Joseph, C, Benz, J, Flohr, A, Rudolph, M.G. 登録日 2022-02-01 公開日 2022-10-12 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.06 Å) 主引用文献 Crystal Structure of a human phosphodiesterase 10 complex To be published
5SFI	Crystal Structure of human phosphodiesterase 10 in complex with 5,8-dimethyl-2-[2-[2-methyl-5-(2-methylpyrrolidin-1-yl)-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine 分子名称: (4S)-5,8-dimethyl-2-(2-{1-methyl-3-[(2S)-2-methylpyrrolidin-1-yl]-1H-1,2,4-triazol-5-yl}ethyl)[1,2,4]triazolo[1,5-a]pyrazine, MAGNESIUM ION, TETRAETHYLENE GLYCOL, ... 著者 Joseph, C, Flohr, A, Benz, J, Schlatter, D, Rudolph, M.G. 登録日 2022-01-21 公開日 2022-10-12 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J.Comput.Aided Mol.Des., 36, 2022
4OG3	Human menin with bound inhibitor MIV-3R 分子名称: 4-(3-{4-[(R)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... 著者 He, S, Senter, T.J, Pollock, J.W, Han, C, Upadhyay, S.K, Purohit, T, Gogliotti, R.D, Lindsley, C.W, Cierpicki, T, Stauffer, S.R, Grembecka, J. 登録日 2014-01-15 公開日 2014-03-05 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction. J.Med.Chem., 57, 2014
4K3R	E. coli sliding clamp in complex with AcQLDLA 分子名称: (ACE)QLDLA, CALCIUM ION, CHLORIDE ION, ... 著者 Yin, Z, Oakley, A.J. 登録日 2013-04-11 公開日 2013-05-01 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Structural and Thermodynamic Dissection of Linear Motif Recognition by the E. coli Sliding Clamp J.Med.Chem., 56, 2013
4OLQ	Crystal Structure of a Putative enoyl-CoA hydratase/isomerase family protein from Hyphomonas neptunium 分子名称: D-MALATE, DI(HYDROXYETHYL)ETHER, Enoyl-CoA hydratase/isomerase family protein, ... 著者 Szlachta, K, Cooper, D.R, Chapman, H.C, Cymborowski, M.T, Stead, M, Hillerich, B, Ahmed, M, Bonanno, J.B, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) 登録日 2014-01-24 公開日 2014-03-12 最終更新日 2022-04-13 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Crystal Structure of a Putative enoyl-CoA hydratase/isomerase family protein from Hyphomonas neptunium To be Published
4OMD	X-ray structure of human furin in complex with the competitive inhibitor Phac-RVR-Amba 分子名称: CALCIUM ION, FORMIC ACID, Furin, ... 著者 Dahms, S.O, Than, M.E. 登録日 2014-01-27 公開日 2014-04-09 最終更新日 2014-05-28 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 X-ray Structures of Human Furin in Complex with Competitive Inhibitors. Acs Chem.Biol., 9, 2014
4OV6	Crystal structure of PCSK9(53-451) with Adnectin 分子名称: 1,2-ETHANEDIOL, Adnectin, Proprotein convertase subtilisin/kexin type 9, ... 著者 Khan, J.A. 登録日 2014-02-20 公開日 2014-07-02 最終更新日 2017-11-22 実験手法 X-RAY DIFFRACTION (2.69 Å) 主引用文献 Pharmacologic Profile of the Adnectin BMS-962476, a Small Protein Biologic Alternative to PCSK9 Antibodies for Low-Density Lipoprotein Lowering. J.Pharmacol.Exp.Ther., 350, 2014
1A6H	DNA QUADRUPLEX CONTAINING GCGC TETRAD, NMR, 4 STRUCTURES 分子名称: DNA (5'-D(GP*CP*GP*GP*TP*TP*TP*GP*CP*GP*G)-3') 著者 Kettani, A, Kumar, R.A, Patel, D.J. 登録日 1998-02-25 公開日 1998-06-17 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 Solution structure of a DNA quadruplex containing the fragile X syndrome triplet repeat. J.Mol.Biol., 254, 1995
4KE4	Elucidation of the structure and reaction mechanism of Sorghum bicolor hydroxycinnamoyltransferase and its structural relationship to other CoA-dependent transferases and synthases 分子名称: GLYCEROL, Hydroxycinnamoyl-CoA:shikimate hydroxycinnamoyl transferase, TETRAETHYLENE GLYCOL 著者 Walker, A.M, Hayes, R.P, Youn, B, Vermerris, W, Sattler, S.E, Kang, C. 登録日 2013-04-25 公開日 2013-05-15 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.012 Å) 主引用文献 Elucidation of the structure and reaction mechanism of sorghum hydroxycinnamoyltransferase and its structural relationship to other coenzyme a-dependent transferases and synthases. Plant Physiol., 162, 2013
4KET	Crystal structure of SsoPox W263I 分子名称: 1,2-ETHANEDIOL, Aryldialkylphosphatase, COBALT (II) ION, ... 著者 Gotthard, G, Hiblot, J, Chabriere, E, Elias, M. 登録日 2013-04-26 公開日 2013-10-02 最終更新日 2013-11-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Differential Active Site Loop Conformations Mediate Promiscuous Activities in the Lactonase SsoPox. Plos One, 8, 2013
4CN0	An intertwined homodimer of the PDZ homology domain of AHNAK2 分子名称: POTASSIUM ION, PROTEIN AHNAK2, TETRAETHYLENE GLYCOL 著者 Han, H, Kursula, P. 登録日 2014-01-20 公開日 2014-04-02 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Periaxin and Ahnak Nucleoprotein 2 Form Intertwined Homodimers Through Domain Swapping J.Biol.Chem., 289, 2014
4L3A	Crystal structure of Internalin K (InlK) from Listeria monocytogenes 分子名称: GLYCEROL, Internalin K, MAGNESIUM ION, ... 著者 Neves, D. 登録日 2013-06-05 公開日 2013-08-28 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.591 Å) 主引用文献 Structure of Internalin InlK from the Human Pathogen Listeria monocytogenes. J.Mol.Biol., 425, 2013
4O8A	First structure of a proline utilization A proline dehydrogenase domain 分子名称: (2S)-2-HYDROXYPROPANOIC ACID, Bifunctional protein PutA, FLAVIN-ADENINE DINUCLEOTIDE, ... 著者 Tanner, J.J. 登録日 2013-12-26 公開日 2014-01-15 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure of the proline dehydrogenase domain of the multifunctional PutA flavoprotein. Nat.Struct.Biol., 10, 2003
4KVJ	Crystal structure of Oryza sativa fatty acid alpha-dioxygenase with hydrogen peroxide 分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CALCIUM ION, CHLORIDE ION, ... 著者 Zhu, G, Koszelak-Rosenblum, M, Malkowski, M.G. 登録日 2013-05-22 公開日 2013-08-21 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.12 Å) 主引用文献 Crystal structures of alpha-dioxygenase from Oryza sativa: Insights into substrate binding and activation by hydrogen peroxide. Protein Sci., 22, 2013
3RN0	Crystal Structure of the W199K-MauG/pre-Methylamine Dehydrogenase Complex 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, HEME C, ... 著者 Jensen, L.M.R, Wilmot, C.M. 登録日 2011-04-21 公開日 2011-10-05 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Mutagenesis of tryptophan199 suggests that hopping is required for MauG-dependent tryptophan tryptophylquinone biosynthesis. Proc.Natl.Acad.Sci.USA, 108, 2011
4OG6	Human menin with bound inhibitor MIV-4 分子名称: 4-(3-{4-[(R)-cyclopentyl(3-fluorophenyl)hydroxymethyl]piperidin-1-yl}propoxy)benzonitrile, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... 著者 He, S, Senter, T.J, Pollock, J.W, Han, C, Upadhyay, S.K, Purohit, T, Gogliotti, R.D, Lindsley, C.W, Cierpicki, T, Stauffer, S.R, Grembecka, J. 登録日 2014-01-15 公開日 2014-03-05 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction. J.Med.Chem., 57, 2014
4KVL	Crystal structure of Oryza sativa fatty acid alpha-dioxygenase Y379F with palmitic acid 分子名称: CALCIUM ION, CHLORIDE ION, Fatty acid alpha-oxidase, ... 著者 Zhu, G, Koszelak-Rosenblum, M, Malkowski, M.G. 登録日 2013-05-22 公開日 2013-08-21 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Crystal structures of alpha-dioxygenase from Oryza sativa: Insights into substrate binding and activation by hydrogen peroxide. Protein Sci., 22, 2013
4L3F	Crystal structure of Internalin K (InlK) from Listeria monocytogenes 分子名称: Internalin K, NICKEL (II) ION, SODIUM ION 著者 Neves, D. 登録日 2013-06-05 公開日 2013-08-28 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.39 Å) 主引用文献 Structure of Internalin InlK from the Human Pathogen Listeria monocytogenes. J.Mol.Biol., 425, 2013
3RMU	Crystal structure of human Methylmalonyl-CoA epimerase, MCEE 分子名称: 1,2-ETHANEDIOL, COBALT (II) ION, Methylmalonyl-CoA epimerase, ... 著者 Chaikuad, A, Krysztofinska, E, Froese, D.S, Yue, W.W, Vollmar, M, Muniz, J.R.C, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC) 登録日 2011-04-21 公開日 2011-05-11 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal structure of human Methylmalonyl-CoA epimerase, MCEE To be Published
3R91	Macrocyclic lactams as potent Hsp90 inhibitors with excellent tumor exposure and extended biomarker activity. 分子名称: (6S)-4,6,15,15,18-pentamethyl-5,17-dioxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-12,8-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide, Heat shock protein HSP 90-alpha 著者 Zapf, C.W, Bloom, J.D, McBean, J.L, Dushin, R.G, Nittoli, T, Otteng, M, Ingalls, C, Golas, J.M, Liu, H, Lucas, J, Boschelli, F, Vogan, E, Hu, Y, Levin, J.I. 登録日 2011-03-24 公開日 2011-05-11 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.579 Å) 主引用文献 Macrocyclic lactams as potent Hsp90 inhibitors with excellent tumor exposure and extended biomarker activity. Bioorg.Med.Chem.Lett., 21, 2011
4OI1	Clp1 bound to ssRNA dinucleotide GC, ADP, AlF4-, and Mg2+(transition state, data set II) 分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NONAETHYLENE GLYCOL, ... 著者 Dikfidan, A, Loll, B, Zeymer, C, Clausen, T, Meinhart, A. 登録日 2014-01-18 公開日 2014-05-14 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 RNA specificity and regulation of catalysis in the eukaryotic polynucleotide kinase clp1. Mol.Cell, 54, 2014
4ONI	Structure of Human Orphan Receptor LRH1 bound to two bacterial phospholipids 分子名称: (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, GLYCEROL, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, ... 著者 Gorman, M.A, Parker, M.W, Kusumo, S. 登録日 2014-01-28 公開日 2015-02-11 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Human nuclear receptor LRH1 bound to phosopholipids and SHP peptide To be Published
4CO2	Structure of PII signaling protein GlnZ from Azospirillum brasilense in complex with adenosine diphosphate 分子名称: ADENOSINE-5'-DIPHOSPHATE, PII-LIKE PROTEIN PZ, TETRAETHYLENE GLYCOL 著者 Truan, D, Li, X.-D, Winkler, F.K. 登録日 2014-01-25 公開日 2014-05-28 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structure and Thermodynamics of Effector Molecule Binding to the Nitrogen Signal Transduction Pii Protein Glnz from Azospirillum Brasilense. J.Mol.Biol., 426, 2014
4OBM	Crystal structure of a putative transcription regulator (EUBSIR_01389) from Eubacterium siraeum DSM 15702 at 2.15 A resolution 分子名称: PENTAETHYLENE GLYCOL, TETRAETHYLENE GLYCOL, Uncharacterized protein 著者 Joint Center for Structural Genomics (JCSG) 登録日 2014-01-07 公開日 2014-02-12 最終更新日 2018-01-24 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Crystal structure of a hypothetical protein (EUBSIR_01389) from Eubacterium siraeum DSM 15702 at 2.15 A resolution To be published
1NF6	X-ray structure of the Desulfovibrio desulfuricans bacterioferritin: the diiron site in different catalytic states ("cycled" structure: reduced in solution and allowed to reoxidise before crystallisation) 分子名称: 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, FE (III) ION, GLYCEROL, ... 著者 Macedo, S, Romao, C.V, Mitchell, E, Matias, P.M, Liu, M.Y, Xavier, A.V, LeGall, J, Teixeira, M, Lindley, P, Carrondo, M.A. 登録日 2002-12-13 公開日 2003-04-01 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 The nature of the di-iron site in the bacterioferritin from Desulfovibrio desulfuricans NAT.STRUCT.BIOL., 10, 2003

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