PDB: 30805 件ウェブページステータス検索Chemie searchBIRD

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5A81	Crystal structure of human ATAD2 bromodomain in complex with 8-(3R,4R) -3-(cyclohexylmethoxy)piperidin-4-yl-amino-3-methyl-1,2-dihydro-1,7- naphthyridin-2-one 分子名称: (3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino}-3-methyl-1,2-dihydro-1,7-naphthyridin-2-one, 1,2-ETHANEDIOL, ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, ... 著者 Chung, C, Bamborough, P, Demont, E. 登録日 2015-07-11 公開日 2015-08-12 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 Structure-Based Optimization of Naphthyridones Into Potent Atad2 Bromodomain Inhibitors. J.Med.Chem., 58, 2015
6TZT	Crystal structure of human alpha/epsilon-COP of the COPI vesicular coat bound to alpha-COP STM2 分子名称: Coatomer subunit alpha, Coatomer subunit epsilon 著者 Travis, S.M, Hughson, F.M. 登録日 2019-08-13 公開日 2019-11-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (3.065 Å) 主引用文献 Roles of singleton tryptophan motifs in COPI coat stability and vesicle tethering. Proc.Natl.Acad.Sci.USA, 116, 2019
8OWQ	Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and 2-(1-(3,4-dihydroxyphenyl)-5-phenyl-1H-indol-3-yl)-2-oxoacetic acid 分子名称: 2-[1-[3,4-bis(oxidanyl)phenyl]-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid, CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, ... 著者 Mendes, V, Blundell, T.L. 登録日 2023-04-28 公開日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.106 Å) 主引用文献 Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach. To Be Published
5AD4	Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-(2-(Dimethylamino)ethyl)phenoxy)methyl)quinolin-2- amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2015-08-20 公開日 2015-10-28 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.981 Å) 主引用文献 Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
6OYL	The structure of the PP2A B56 subunit KIF4A complex 分子名称: Chromosome-associated kinesin KIF4A, Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit gamma isoform 著者 Wang, X, Page, R, Peti, W. 登録日 2019-05-14 公開日 2020-03-25 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (3.15 Å) 主引用文献 A dynamic charge-charge interaction modulates PP2A:B56 substrate recruitment. Elife, 9, 2020
7N3S	Human bisphosphoglycerate mutase complex with 2-phosphoglycolate 分子名称: 2-PHOSPHOGLYCOLIC ACID, Bisphosphoglycerate mutase 著者 Aljahdali, A.S, Musayev, F.N, Safo, M.K. 登録日 2021-06-01 公開日 2022-04-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.48 Å) 主引用文献 Molecular insight into 2-phosphoglycolate activation of the phosphatase activity of bisphosphoglycerate mutase. Acta Crystallogr D Struct Biol, 78, 2022
6U07	Computational Stabilization of T Cell Receptor Constant Domains 分子名称: MAGNESIUM ION, Stabilized T cell receptor constant domain (Calpha), Stabilized T cell receptor constant domain (Cbeta) 著者 Froning, K, Maguire, J, Sereno, A, Huang, F, Chang, S, Weichert, K, Frommelt, A.J, Dong, J, Wu, X, Austin, H, Conner, E.M, Fitchett, J.R, Heng, A.R, Balasubramaniam, D, Hilgers, M.T, Kuhlman, B, Demarest, S.J. 登録日 2019-08-13 公開日 2020-04-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 Computational stabilization of T cell receptors allows pairing with antibodies to form bispecifics. Nat Commun, 11, 2020
8CKH	Crystal structure of IspE from Klebsiella pneumoniae 分子名称: 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER 著者 Hamid, R. 登録日 2023-02-15 公開日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal structure of IspE from Klebsiella pneumoniae To Be Published
7N6P	Crystal structure of the anti-EBOV and SUDV monoclonal antibody 1C3 Fab 分子名称: 1C3 Fab heavy chain, 1C3 Fab light chain 著者 Milligan, J.C, Yu, X, Buck, T, Saphire, E.O. 登録日 2021-06-08 公開日 2022-04-06 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Asymmetric and non-stoichiometric glycoprotein recognition by two distinct antibodies results in broad protection against ebolaviruses. Cell, 185, 2022
6UFP	Structure of proline utilization A with the FAD covalently modified by L-thiazolidine-2-carboxylate and three cysteines (Cys46, Cys470, Cys638) modified to S,S-(2-HYDROXYETHYL)THIOCYSTEINE 分子名称: (2S)-1,3-thiazolidine-2-carboxylic acid, Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, ... 著者 Campbell, A.C, Tanner, J.J. 登録日 2019-09-24 公開日 2020-03-18 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.737 Å) 主引用文献 Covalent Modification of the Flavin in Proline Dehydrogenase by Thiazolidine-2-Carboxylate. Acs Chem.Biol., 15, 2020
5AGO	Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-mercaptoacetimidamido)pentanoic acid 分子名称: (S)-2-AMINO-5-(2-MERCAPTOACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2015-02-02 公開日 2015-04-29 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.902 Å) 主引用文献 Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid. J.Am.Chem.Soc., 137, 2015
8COP	Mycobacterium tuberculosis dihydrofolate reductase in complex with N-(4-(2,6-diamino-5-(cyclopropylethynyl)pyrimidin-4-yl)phenyl)methanesulfonamide 分子名称: COBALT (II) ION, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Kirkman, T.J, Dias, M.V.B. 登録日 2023-02-28 公開日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Expansion of a series of pyrimidine derivatives utilising fragment-based merging showcasing anleads to increased affinity with to Mycobacterium tuberculosis dihydrofolate reductase To Be Published
5AGP	Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-mercaptoacetimidamido)pentanoic acid 分子名称: (S)-2-AMINO-5-(2-MERCAPTOACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2015-02-02 公開日 2015-04-29 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid. J.Am.Chem.Soc., 137, 2015
8P8E	Crystal structure of endolysin gp46 from Pseudomonas aeruginosa bacteriophage vB_PaeM_KTN6 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, Glycoside hydrolase family protein 著者 van Raaij, M.J, Sanz-Gaitero, M. 登録日 2023-06-01 公開日 2024-05-08 最終更新日 2024-08-21 実験手法 X-RAY DIFFRACTION (1.391 Å) 主引用文献 Structural and Biochemical Characterization of a New Phage-Encoded Muramidase, KTN6 Gp46. Phage (New Rochelle), 5, 2024
7N3R	The ternary complex of human Bisphosphoglycerate mutase with 3-phosphoglycerate and 2-phosphoglycolate 分子名称: 2-PHOSPHOGLYCOLIC ACID, 3-PHOSPHOGLYCERIC ACID, Bisphosphoglycerate mutase 著者 Aljahdali, A.S, Musayev, F.N, Safo, M.K. 登録日 2021-06-01 公開日 2022-04-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Molecular insight into 2-phosphoglycolate activation of the phosphatase activity of bisphosphoglycerate mutase. Acta Crystallogr D Struct Biol, 78, 2022
8COQ	Mycobacterium tuberculosis dihydrofolate reductase in complex with 5-(cyclopropylethynyl)-6-(2-methoxyphenyl)pyrimidine-2,4-diamine 分子名称: 5-(2-cyclopropylethynyl)-6-(2-methoxyphenyl)pyrimidine-2,4-diamine, COBALT (II) ION, Dihydrofolate reductase, ... 著者 Kirkman, T.J, Dias, M.V.B. 登録日 2023-02-28 公開日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Currently unpublished To Be Published
6OAZ	Apo Structure of WT Lipoprotein Lipase in Complex with GPIHBP1 Mutant N78D N82D produced in HEK293-F cells 分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... 著者 Arora, R, Horton, P.A, Benson, T.E, Romanowski, M.J. 登録日 2019-03-19 公開日 2019-05-08 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (3.04 Å) 主引用文献 Structure of lipoprotein lipase in complex with GPIHBP1. Proc.Natl.Acad.Sci.USA, 116, 2019
7N3V	Crystal structure of Mycobacterium smegmatis LmcA 分子名称: GLYCEROL, LmcA, SULFATE ION 著者 Patel, O, Lucet, I, Panjikar, S. 登録日 2021-06-02 公開日 2022-04-13 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Crystal structure of the putative cell-wall lipoglycan biosynthesis protein LmcA from Mycobacterium smegmatis. Acta Crystallogr D Struct Biol, 78, 2022
5A4R	Crystal structure of a vitamin B12 trafficking protein 分子名称: METHYLMALONIC ACIDURIA AND HOMOCYSTINURIA TYPE D HOMOLOG, MITOCHONDRIAL 著者 Kopec, J, Fitzpatrick, F, Froese, D.S, Velupillai, S, Nowak, R, Chalk, R, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Fowler, B, Baumgartner, M.R, Yue, W.W. 登録日 2015-06-11 公開日 2015-10-28 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Structural Insights Into the Mmachc-Mmadhc Protein Complex Involved in Vitamin B12 Trafficking. J.Biol.Chem., 290, 2015
8CMK	Transportin-3 TNPO3 in complex with RSY region of CIRBP 分子名称: 2-(1H-INDOL-3-YL)ETHANAMINE, Cold-inducible RNA-binding protein, DI(HYDROXYETHYL)ETHER, ... 著者 Zhou, Q, Sagmeister, T, Pavkov-Keller, T, Madl, T. 登録日 2023-02-20 公開日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.945 Å) 主引用文献 Tyrosine mediated nuclear import of CIRBP reveals a flexible NLS recognition by TNPO3 To Be Published
7VQB	Structure of MA1831 from Methanosarcina acetivorans in complex with farnesyl pyrophosphate and dimethylallyl diphosphate 分子名称: DIMETHYLALLYL DIPHOSPHATE, Di-trans-poly-cis-decaprenylcistransferase, FARNESYL DIPHOSPHATE, ... 著者 Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T. 登録日 2021-10-19 公開日 2022-08-31 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation. Int.J.Biol.Macromol., 214, 2022
7SQM	Discovery and Preclinical Pharmacology of INE963, A Potent and Fast-Acting Blood-Stage Antimalarial with a High Barrier to Resistance and Potential for Single-Dose Cure in Uncomplicated Malaria 分子名称: 1-[(4S)-5-(2,4-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-amine, GLYCEROL, Serine/threonine-protein kinase haspin 著者 Shu, W, Yokokawa, F. 登録日 2021-11-05 公開日 2021-12-29 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Failure of artesunate-mefloquine combination therapy for uncompli-cated Plasmodium falciparum malaria in southern Cambodia. Malar. J., 2009, 8, 10, 2009
8P67	Crystal structure of Thermothelomyces thermophila (double mutant EE) in complex with aldotetrauronic acid 分子名称: 1,2-ETHANEDIOL, 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, GH30 family xylanase, ... 著者 Dimarogona, M, Pentari, C, Kosinas, C, Topakas, E. 登録日 2023-05-25 公開日 2024-05-22 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.37 Å) 主引用文献 Structural and molecular insights into a bifunctional glycoside hydrolase 30 xylanase specific to glucuronoxylan. Biotechnol.Bioeng., 121, 2024
7VQA	Structure of MA1831 from Methanosarcina acetivorans in complex with dimethylallyl diphosphate. 分子名称: DIMETHYLALLYL DIPHOSPHATE, Di-trans-poly-cis-decaprenylcistransferase, MAGNESIUM ION, ... 著者 Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T. 登録日 2021-10-19 公開日 2022-08-31 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation. Int.J.Biol.Macromol., 214, 2022
6ALA	Crystal structure of H108A peptidylglycine alpha-hydroxylating monooxygenase (PHM) in complex with citrate 分子名称: CITRATE ANION, COPPER (II) ION, GLYCEROL, ... 著者 Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. 登録日 2017-08-07 公開日 2018-07-18 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.59 Å) 主引用文献 Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase. Commun Biol, 1, 2018

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