PDB: 30476 件ウェブページステータス検索Chemie searchBIRD

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4D6F	Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 1 blood group A-tetrasaccharide (E558A, X01 mutant) 分子名称: 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose 著者 Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G. 登録日 2014-11-11 公開日 2014-11-26 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution. J.Am.Chem.Soc., 137, 2015
4D7F	Human FXIa in complex with small molecule inhibitors. 分子名称: COAGULATION FACTOR XI, GLYCEROL, N-[(2S)-1-({4-[(diaminomethylidene)amino]butyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide, ... 著者 Sandmark, J, Oster, L, Jacso, T, Ullah, V, Redzick, A, Borjesson, U, Olsson, T, Norberg, M, Akerud, T. 登録日 2014-11-24 公開日 2016-01-20 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 From Mm Fragments to Nm Compounds Using Iloe-NMR to Guide Linking of Compounds in Fragment Based Drug Discovery (Fbdd). To be Published
4D1I	The structure of the GH35 beta-galactosidase Bgl35A from Cellvibrio japonicus 分子名称: ACETATE ION, BETA-GALACTOSIDASE, PUTATIVE, ... 著者 Larsbrink, J, Thompson, A.J, Lundqvist, M, Gardner, J.G, Davies, G.J, Brumer, H. 登録日 2014-05-02 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 A Complex Gene Locus Enables Xyloglucan Utilization in the Model Saprophyte Cellvibrio Japonicus. Mol.Microbiol., 94, 2014
4D38	Structure of bovine endothelial nitric oxide synthase heme domain in complex with (1R,2R)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine 分子名称: (1R,2R)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2014-10-20 公開日 2014-12-24 最終更新日 2015-03-04 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
4D3L	SeMet structure of a novel carbohydrate binding module from glycoside hydrolase family 9 (Cel9A) from Ruminococcus flavefaciens FD-1 in the orthorhombic form 分子名称: (3S)-3-HYDROXYHEPTANEDIOIC ACID, 1,2-ETHANEDIOL, CALCIUM ION, ... 著者 Venditto, I, Goyal, A, Thompson, A, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S. 登録日 2014-10-22 公開日 2016-01-20 最終更新日 2016-07-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects an Expansion in Glycan Recognition. Proc.Natl.Acad.Sci.USA, 113, 2016
4CUU	Crystal structure of human BAZ2B in complex with fragment-6 N09645 分子名称: (2R)-1,2,3,4-tetrahydroquinoline-2,7-diol, 1,2-ETHANEDIOL, BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B 著者 Bradley, A.R, Liu, Y, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, von Delft, F. 登録日 2014-03-21 公開日 2014-04-02 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.801 Å) 主引用文献 Crystal Structure of Human Baz2B in Complex with Fragment-6 N09645 To be Published
4D6I	Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 1 blood group A-tetrasaccharide (E558A L19 mutant) 分子名称: 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose 著者 Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G. 登録日 2014-11-11 公開日 2014-11-26 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution. J.Am.Chem.Soc., 137, 2015
4D39	Structure of bovine endothelial nitric oxide synthase heme domain in complex with2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-(3-cyanobenzyl) ethan-1-amine 分子名称: 3-[({2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}amino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2014-10-20 公開日 2014-12-24 最終更新日 2015-03-04 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
5O83	Discovery of CDZ173 (leniolisib), Representing a Structurally Novel Class of PI3K Delta-Selective Inhibitors 分子名称: Leniolisib, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 著者 Gutmann, S, Rummel, G, Shrestha, B. 登録日 2017-06-12 公開日 2017-09-20 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Discovery of CDZ173 (Leniolisib), Representing a Structurally Novel Class of PI3K Delta-Selective Inhibitors. ACS Med Chem Lett, 8, 2017
4D2D	Structure of a tri peptide bound POT family peptide transporter 分子名称: (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, ALANINE-TRIPEPTIDE, ... 著者 Lyons, J.A, Parker, J.L, Solcan, N, Brinth, A, Li, D, Shah, S.T.A, Caffrey, M, Newstead, S. 登録日 2014-05-09 公開日 2014-06-25 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.522 Å) 主引用文献 Structural Basis for Polyspecificity in the Pot Family of Proton-Coupled Oligopeptide Transporters. Embo Rep., 15, 2014
4D6H	Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 1 blood group A-tetrasaccharide (E558A X02 mutant) 分子名称: 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE, SULFATE ION, ... 著者 Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G. 登録日 2014-11-11 公開日 2014-11-26 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution. J.Am.Chem.Soc., 137, 2015
4D2H	Crystal structure of the tetramerisation domain of human CtIP 分子名称: RBBP8, SULFATE ION 著者 Davies, O.R, Sun, M, Pellegrini, L. 登録日 2014-05-09 公開日 2015-01-14 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Ctip Tetramer Assembly is Required for DNA-End Resection and Repair. Nat.Struct.Mol.Biol., 22, 2015
4D7G	Human FXIa in complex with small molecule inhibitors. 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COAGULATION FACTOR XIA, GLYCEROL, ... 著者 Sandmark, J, Oster, L, Jacso, T, Ullah, V, Redzick, A, Borjesson, U, Olsson, T, Norberg, M, Akerud, T. 登録日 2014-11-24 公開日 2016-01-20 実験手法 X-RAY DIFFRACTION (2.33 Å) 主引用文献 From Mm Fragments to Nm Compounds Using Iloe-NMR to Guide Linking of Compounds in Fragment Based Drug Discovery (Fbdd). To be Published
4D3A	Structure of bovine endothelial nitric oxide synthase heme domain in complex with 3-(3-fluorophenyl)-N-2-(2-(5-methyl-1H-imidazol-1-yl) pyrimidin-4-yl)ethylpropan-1-amine 分子名称: 3-(3-fluorophenyl)-N-{2-[2-(5-methyl-1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... 著者 Chreifi, G, Li, H, Poulos, T.L. 登録日 2014-10-20 公開日 2014-12-24 最終更新日 2015-03-04 実験手法 X-RAY DIFFRACTION (2.252 Å) 主引用文献 Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
4D19	Crystal structure of cofactor-free urate oxidase in complex with its 5-peroxoisourate intermediate (X-ray dose, 1.75 MGy) 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(HYDRO)PEROXOISOURATE, OXYGEN MOLECULE, ... 著者 Bui, S, Steiner, R.A. 登録日 2014-05-01 公開日 2014-10-29 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Direct evidence for a peroxide intermediate and a reactive enzyme-substrate-dioxygen configuration in a cofactor-free oxidase. Angew. Chem. Int. Ed. Engl., 53, 2014
4D31	Structure of rat neuronal nitric oxide synthase heme domain in complex with 2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-(3-cyanobenzyl) ethan-1-amine 分子名称: 3-[({2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}amino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2014-10-20 公開日 2014-12-24 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.951 Å) 主引用文献 Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
4D4F	Mutant P250A of bacterial chalcone isomerase from Eubacterium ramulus 分子名称: CHALCONE ISOMERASE, CHLORIDE ION, GLYCEROL 著者 Thomsen, M, Kratzat, H, Hinrichs, W. 登録日 2014-10-28 公開日 2016-01-20 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.34 Å) 主引用文献 Structural Basis for (2 R ,3 R )-Taxifolin Binding and Reaction Products to the Bacterial Chalcone Isomerase of Eubacterium ramulus. Molecules, 27, 2022
4CJ2	Crystal structure of HEWL in complex with affitin H4 分子名称: AFFITIN H4, GLYCEROL, LYSOZYME C 著者 Correa, A, Pacheco, S, Mechaly, A.E, Obal, G, Behar, G, Mouratou, B, Oppezzo, P, Alzari, P.M, Pecorari, F. 登録日 2013-12-18 公開日 2014-05-21 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Potent and Specific Inhibition of Glycosidases by Small Artificial Binding Proteins (Affitins) Plos One, 9, 2014
5QCL	FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid 分子名称: 1,2-ETHANEDIOL, 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid, Coagulation factor XI, ... 著者 Sheriff, S. 登録日 2017-08-10 公開日 2017-11-08 最終更新日 2018-02-21 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212). J. Med. Chem., 60, 2017
4CKK	Apo structure of 55 kDa N-terminal domain of E. coli DNA gyrase A subunit 分子名称: DNA GYRASE SUBUNIT A 著者 Hearnshaw, S.J, Edwards, M.J, Stevenson, C.E.M, Lawson, D.M, Maxwell, A. 登録日 2014-01-07 公開日 2014-03-12 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 A New Crystal Structure of the Bifunctional Antibiotic Simocyclinone D8 Bound to DNA Gyrase Gives Fresh Insight Into the Mechanism of Inhibition. J.Mol.Biol., 426, 2014
4CNL	Crystal structure of the Choline-binding domain of CbpL from Streptococcus pneumoniae 分子名称: CHOLINE ION, GLYCEROL, PUTATIVE PNEUMOCOCCAL SURFACE PROTEIN, ... 著者 Gutierrez-Fernandez, J, Bartual, S.G, Hermoso, J.A. 登録日 2014-01-23 公開日 2015-02-18 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Modular Architecture and Unique Teichoic Acid Recognition Features of Choline-Binding Protein L (Cbpl) Contributing to Pneumococcal Pathogenesis. Sci.Rep., 6, 2016
4CZD	Sirohaem decarboxylase AhbA/B - an enzyme with structural homology to the Lrp/AsnC transcription factor family that is part of the alternative haem biosynthesis pathway. 分子名称: PUTATIVE TRANSCRIPTIONAL REGULATOR, ASNC FAMILY 著者 Palmer, D.J, Brown, D.G, Warren, M.J. 登録日 2014-04-17 公開日 2014-06-11 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 The Structure, Function and Properties of Sirohaem Decarboxylase - an Enzyme with Structural Homology to a Transcription Factor Family that is Part of the Alternative Haem Biosynthesis Pathway. Mol.Microbiol., 93, 2014
4CUS	Crystal structure of human BAZ2B in complex with fragment-4 N09496 分子名称: 1,2-ETHANEDIOL, BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B, quinolin-4-ol 著者 Bradley, A.R, Liu, Y, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, von Delft, F. 登録日 2014-03-21 公開日 2014-04-02 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.783 Å) 主引用文献 Crystal Structure of Human Baz2B in Complex with Fragment-4 N09496 To be Published
4D6R	crystal structure of human JMJD2D in complex with N-OXALYLGLYCINE and bound o-toluenesulfonamide 分子名称: 1,2-ETHANEDIOL, LYSINE-SPECIFIC DEMETHYLASE 4D, N-OXALYLGLYCINE, ... 著者 Krojer, T, Vollmar, M, Bradley, A, Crawley, L, Szykowska, A, Burgess-Brown, N, Gileadi, C, Johansson, C, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2014-11-14 公開日 2014-12-24 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.398 Å) 主引用文献 Crystal Structure of Human Jmjd2D in Complex with N-Oxalylglycine and Bound O-Toluenesulfonamide To be Published
4D6Q	crystal structure of human JMJD2D in complex with 2,4-PDCA 分子名称: 1,2-ETHANEDIOL, LYSINE-SPECIFIC DEMETHYLASE 4D, NICKEL (II) ION, ... 著者 Krojer, T, Vollmar, M, Bradley, A, Crawley, L, Szykowska, A, Burgess-Brown, N, Gileadi, C, Johansson, C, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2014-11-14 公開日 2014-12-24 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.292 Å) 主引用文献 Crystal Structure of Human Jmjd2D in Complex with 2,4-Pdca To be Published

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