PDB: 73050 件ウェブページステータス検索Chemie searchBIRD

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4JOO	Spirocyclic Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors 分子名称: (4R)-2'-amino-6-bromo-1',2,2-trimethyl-2,3-dihydrospiro[chromene-4,4'-imidazol]-5'(1'H)-one, Beta-secretase 1, NICKEL (II) ION 著者 Vigers, G.P.A, Smith, D. 登録日 2013-03-18 公開日 2013-04-10 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Spirocyclic beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors: from hit to lowering of cerebrospinal fluid (CSF) amyloid beta in a higher species. J.Med.Chem., 56, 2013
3U0G	Crystal structure of branched-chain amino acid aminotransferase from burkholderia pseudomallei 分子名称: CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2011-09-28 公開日 2011-11-09 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structure of branched-chain amino acid aminotransferase from burkholderia pseudomallei TO BE PUBLISHED
4E53	Calmodulin and Nm peptide complex 分子名称: Calmodulin, Linker, IQ motif of Neuromodulin 著者 Kumar, V, Sivaraman, J. 登録日 2012-03-13 公開日 2013-03-20 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.69 Å) 主引用文献 Structural basis for the interaction of unstructured neuron specific substrates neuromodulin and neurogranin with calmodulin Sci Rep, 3, 2013
3UEJ	Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase Cdelta 分子名称: PHOSPHATE ION, Protein kinase C delta type, ZINC ION 著者 Shanmugasundararaj, S, Stehle, T, Miller, K.W. 登録日 2011-10-30 公開日 2012-12-12 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.301 Å) 主引用文献 Structural and Functional Characterization of an Anesthetic Binding Site in the Second Cysteine-Rich Domain of Protein Kinase Cdelta Biophys.J., 103, 2012
4JAT	Crystal Structure of Mycobacterium tuberculosis PKS11 Reveals Intermediates in the Synthesis of Methyl-branched Alkylpyrones 分子名称: Alpha-pyrone synthesis polyketide synthase-like Pks11, PALMITIC ACID 著者 Gokulan, K, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) 登録日 2013-02-19 公開日 2013-04-24 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.42 Å) 主引用文献 Crystal structure of Mycobacterium tuberculosis polyketide synthase 11 (PKS11) reveals intermediates in the synthesis of methyl-branched alkylpyrones. J.Biol.Chem., 288, 2013
4FMI	Merkel cell polyomavirus VP1 in complex with 3'-sialyllactosamine 分子名称: CHLORIDE ION, GLYCEROL, N-acetyl-alpha-neuraminic acid, ... 著者 Neu, U, Hengel, H, Stehle, T. 登録日 2012-06-17 公開日 2012-09-05 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structures of Merkel Cell Polyomavirus VP1 Complexes Define a Sialic Acid Binding Site Required for Infection. Plos Pathog., 8, 2012
4L8S	Crystal structure of a human Valpha7.2/Vbeta13.3 MAIT TCR in complex with bovine MR1 分子名称: Beta-2-microglobulin, MHC class I-related protein, Muccosal Associated Invariant T Cell Receptor alpha chain, ... 著者 Lopez-Sagaseta, J, Adams, E.J. 登録日 2013-06-17 公開日 2013-10-16 最終更新日 2017-08-23 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 MAIT Recognition of a Stimulatory Bacterial Antigen Bound to MR1. J.Immunol., 191, 2013
4FSF	Crystal structure of Pseudomonas aeruginosa PBP3 complexed with compound 14 分子名称: (4R,5S,8Z)-8-(2-amino-1,3-thiazol-4-yl)-1-[3-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-1,2-oxazol-5-yl]-5-formyl-11,11-dimethyl-1,7-dioxo-4-(sulfoamino)-10-oxa-2,6,9-triazadodec-8-en-12-oic acid, Penicillin-binding protein 3 著者 Han, S. 登録日 2012-06-27 公開日 2012-10-17 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Novel monobactams utilizing a siderophore uptake mechanism for the treatment of gram-negative infections. Bioorg.Med.Chem.Lett., 22, 2012
4L9L	Crystal structure of a human Valpha7.2/Vbeta13.2 MAIT TCR in complex with bovine MR1 分子名称: Beta-2-microglobulin, MHC class I-related protein, Human MAIT TCR alpha chain, ... 著者 Lopez-Sagaseta, J, Adams, E.J. 登録日 2013-06-18 公開日 2013-10-16 最終更新日 2017-11-15 実験手法 X-RAY DIFFRACTION (3.4 Å) 主引用文献 MAIT Recognition of a Stimulatory Bacterial Antigen Bound to MR1. J.Immunol., 191, 2013
4G44	Structure of P450 CYP121 in complex with lead compound MB286, 3-((1H-1,2,4-triazol-1-yl)methyl)aniline 分子名称: 3-(1H-1,2,4-triazol-1-ylmethyl)aniline, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Hudson, S.A, McLean, K.J, Surade, S, Yang, Y.-Q, Leys, D, Ciulli, A, Munro, A.W, Abell, C. 登録日 2012-07-16 公開日 2012-09-05 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.24 Å) 主引用文献 Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121 Angew.Chem.Int.Ed.Engl., 51, 2012
3RQC	Crystal structure of the catalytic core of the 2-oxoacid dehydrogenase multienzyme complex from Thermoplasma acidophilum 分子名称: Probable lipoamide acyltransferase 著者 Marrott, N.L, Crennell, S.J, Hough, D.W, Danson, M.J, van den Elsen, J.M.H. 登録日 2011-04-28 公開日 2012-01-11 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (4.01 Å) 主引用文献 The catalytic core of an archaeal 2-oxoacid dehydrogenase multienzyme complex is a 42-mer protein assembly. Febs J., 279, 2012
4GB3	Human coxsackievirus B3 strain RD coat protein 分子名称: MYRISTIC ACID, PALMITIC ACID, coat protein 1, ... 著者 Yoder, J.D, Hafenstein, S. 登録日 2012-07-26 公開日 2012-09-26 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2.74 Å) 主引用文献 The Crystal Structure of a Coxsackievirus B3-RD Variant and a Refined 9-Angstrom Cryo-Electron Microscopy Reconstruction of the Virus Complexed with Decay-Accelerating Factor (DAF) Provide a New Footprint of DAF on the Virus Surface. J.Virol., 86, 2012
4LKD	Crystal Structure of Pseudomonas aeruginosa Lectin LecA Complexed with GalA-QRS at 2.31 A Resolution 分子名称: CALCIUM ION, P-HYDROXYBENZOIC ACID, PA-I galactophilic lectin, ... 著者 Kadam, R.U, Stocker, A, Reymond, J.-L. 登録日 2013-07-07 公開日 2013-12-18 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.307 Å) 主引用文献 Structure-Based Optimization of the Terminal Tripeptide in Glycopeptide Dendrimer Inhibitors of Pseudomonas aeruginosa Biofilms Targeting LecA. Chemistry, 19, 2013
3R30	MK2 kinase bound to Compound 2 分子名称: 1-(2-aminoethyl)-3-[2-(quinolin-3-yl)pyridin-4-yl]-1H-pyrazole-5-carboxylic acid, MAP kinase-activated protein kinase 2 著者 Oubrie, A, Fisher, M. 登録日 2011-03-15 公開日 2011-05-25 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Structure-based lead identification of ATP-competitive MK2 inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
3R3M	Crystal structure of the FAF1 UBX domain 分子名称: FAS-associated factor 1, PHOSPHATE ION 著者 Haenzelmann, P, Schindelin, H. 登録日 2011-03-16 公開日 2011-06-22 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Hierarchical Binding of Cofactors to the AAA ATPase p97. Structure, 19, 2011
4G47	Structure of cytochrome P450 CYP121 in complex with 4-(1H-1,2,4-triazol-1-yl)phenol 分子名称: 4-(1H-1,2,4-triazol-1-yl)phenol, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Hudson, S.A, McLean, K.J, Surade, S, Yang, Y.-Q, Leys, D, Ciulli, A, Munro, A.W, Abell, C. 登録日 2012-07-16 公開日 2012-09-05 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.34 Å) 主引用文献 Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121 Angew.Chem.Int.Ed.Engl., 51, 2012
4G45	Structure of cytochrome CYP121 in complex with 2-methylquinolin-6-amine 分子名称: 2-methylquinolin-6-amine, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Hudson, S.A, McLean, K.J, Surade, S, Yang, Y.-Q, Leys, D, Ciulli, A, Munro, A.W, Abell, C. 登録日 2012-07-16 公開日 2012-09-05 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121 Angew.Chem.Int.Ed.Engl., 51, 2012
4JNC	Soluble Epoxide Hydrolase complexed with a carboxamide inhibitor 分子名称: 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[2-(trifluoromethyl)benzyl]piperidine-4-carboxamide, Bifunctional epoxide hydrolase 2 著者 Shewchuk, L.M. 登録日 2013-03-15 公開日 2013-06-05 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Discovery of 1-(1,3,5-triazin-2-yl)piperidine-4-carboxamides as inhibitors of soluble epoxide hydrolase. Bioorg.Med.Chem.Lett., 23, 2013
4JLG	SETD7 in complex with inhibitor (R)-PFI-2 and S-adenosyl-methionine 分子名称: 8-fluoro-N-{(2R)-1-oxo-1-(pyrrolidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-yl}-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide, Histone-lysine N-methyltransferase SETD7, S-ADENOSYLMETHIONINE, ... 著者 Dong, A, Wu, H, Zeng, H, El Bakkouri, M, Barsyte, D, Vedadi, M, Tatlock, J, Owen, D, Bunnage, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) 登録日 2013-03-12 公開日 2013-04-17 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.896 Å) 主引用文献 (R)-PFI-2 is a potent and selective inhibitor of SETD7 methyltransferase activity in cells. Proc.Natl.Acad.Sci.USA, 111, 2014
3RFX	Crystal structure of uronate dehydrogenase from Agrobacterium tumefaciens, Y136A mutant complexed with NAD 分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION, Uronate dehydrogenase 著者 Parkkinen, T, Rouvinen, J. 登録日 2011-04-07 公開日 2011-06-15 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal Structure of Uronate Dehydrogenase from Agrobacterium tumefaciens. J.Biol.Chem., 286, 2011
4JP9	Spirocyclic Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors 分子名称: (4R)-2'-amino-6-(3-chlorophenyl)-1',2,2-trimethyl-2,3-dihydrospiro[chromene-4,4'-imidazol]-5'(1'H)-one, Beta-secretase 1, NICKEL (II) ION 著者 Vigers, G.P.A, Smith, D. 登録日 2013-03-19 公開日 2013-04-10 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Spirocyclic beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors: from hit to lowering of cerebrospinal fluid (CSF) amyloid beta in a higher species. J.Med.Chem., 56, 2013
4JAP	Crystal Structure of Mycobacterium tuberculosis PKS11 Reveals Intermediates in the Synthesis of Methyl-branched Alkylpyrones 分子名称: (2S)-2-methyl-3-oxooctadecanoic acid, Alpha-pyrone synthesis polyketide synthase-like Pks11, COENZYME A, ... 著者 Gokulan, K, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) 登録日 2013-02-19 公開日 2013-04-24 最終更新日 2013-11-27 実験手法 X-RAY DIFFRACTION (1.833 Å) 主引用文献 Crystal structure of Mycobacterium tuberculosis polyketide synthase 11 (PKS11) reveals intermediates in the synthesis of methyl-branched alkylpyrones. J.Biol.Chem., 288, 2013
4GUR	Crystal structure of LSD2-NPAC with H3 in space group P21 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Histone H3.3, ... 著者 Chen, F, Dong, Z, Fang, J, Yang, Y, Li, Z, Xu, Y, Yang, H, Wang, P, Fang, R, Shi, Y, Xu, Y. 登録日 2012-08-29 公開日 2013-01-16 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.506 Å) 主引用文献 LSD2/KDM1B and its cofactor NPAC/GLYR1 endow a structural and molecular model for regulation of H3K4 demethylation Mol.Cell, 49, 2013
4HBX	Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolin ligand 分子名称: 3-methyl-6-(pyrrolidin-1-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one, Bromodomain-containing protein 4 著者 Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Fish, P.V, Bunnage, M.E, Cook, A.S, Owen, D.R, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2012-09-28 公開日 2012-10-31 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit. J.Med.Chem., 55, 2012
3RTN	Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Amino-6-o-tolylquinolin-3-yl)-N-cyclohexylpropanamide 分子名称: 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-cyclohexylpropanamide, Beta-secretase 1, GLYCEROL, ... 著者 Sickmier, E.A. 登録日 2011-05-03 公開日 2011-08-31 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1). J.Med.Chem., 54, 2011

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