PDB: 10530 件ウェブページステータス検索Chemie searchBIRD

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3HJ8	Crystal structure determination of catechol 1,2-dioxygenase from rhodococcus opacus 1CP in complex with 4-chlorocatechol 分子名称: (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 4-CHLOROBENZENE-1,2-DIOL, Catechol 1,2-dioxygenase, ... 著者 Matera, I, Ferraroni, M, Briganti, F, Scozzafava, A. 登録日 2009-05-21 公開日 2010-01-12 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Catechol 1,2-dioxygenase from the Gram-positive Rhodococcus opacus 1CP: Quantitative structure/activity relationship and the crystal structures of native enzyme and catechols adducts J.Struct.Biol., 170, 2010
6DDW	Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-L-glutamic acid 分子名称: Dihydrofolate reductase, GLYCEROL, N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-L-glutamic acid, ... 著者 Hajian, B, Scocchera, E, Wright, D. 登録日 2018-05-10 公開日 2018-05-23 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents. Cell Chem Biol, 26, 2019
3HH4	New azaborine compounds bind to the T4 lysozyme L99A cavity - Benzene as control 分子名称: 2-HYDROXYETHYL DISULFIDE, BENZENE, Lysozyme, ... 著者 Liu, L, Matthews, B.W. 登録日 2009-05-14 公開日 2009-10-13 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Boron mimetics: 1,2-dihydro-1,2-azaborines bind inside a nonpolar cavity of T4 lysozyme. Angew.Chem.Int.Ed.Engl., 48, 2009
5JZ9	Crystal structure of HsaD bound to 3,5-dichloro-4-hydroxybenzenesulphonic acid 分子名称: 3,5-dichloro-4-hydroxybenzene-1-sulfonic acid, 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase 著者 Ryan, A, Polycarpou, E, Lack, N.A, Evangelopoulos, D, Sieg, C, Halman, A, Bhakta, S, Sinclair, A, Eleftheriadou, O, McHugh, T.D, Keany, S, Lowe, E, Ballet, R, Abihammad, A, Ciulli, A, Sim, E. 登録日 2016-05-16 公開日 2017-04-05 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.68 Å) 主引用文献 Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach. Br. J. Pharmacol., 174, 2017
6DHU	Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT0911 from cocktail soak 分子名称: 1,2-ETHANEDIOL, Tyrosyl-DNA phosphodiesterase 1, benzene-1,2,4-tricarboxylic acid 著者 Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. 登録日 2018-05-21 公開日 2019-05-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019
5KCE	Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-methyl, 2-chlorobenzyl OBHS-N derivative 分子名称: (1S,2R,4S)-N-(2-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, Nuclear receptor coactivator 2 著者 Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. 登録日 2016-06-06 公開日 2016-11-16 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.847 Å) 主引用文献 Full antagonism of the estrogen receptor without a prototypical ligand side chain. Nat. Chem. Biol., 13, 2017
5KCU	Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-ethyl, alpha-naphthyl OBHS-N derivative 分子名称: (1S,2R,4S)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(naphthalen-2-yl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2 著者 Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. 登録日 2016-06-07 公開日 2016-11-16 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 Full antagonism of the estrogen receptor without a prototypical ligand side chain. Nat. Chem. Biol., 13, 2017
5KCD	Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-methyl Substituted OBHS-N derivative 分子名称: (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-methyl-N-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2 著者 Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. 登録日 2016-06-06 公開日 2016-11-16 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Full antagonism of the estrogen receptor without a prototypical ligand side chain. Nat. Chem. Biol., 13, 2017
5KCF	Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-ethyl, 4-methoxybenzyl OBHS-N derivative 分子名称: (1R,2S,4R)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, (1S,2R,4S)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, ... 著者 Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. 登録日 2016-06-06 公開日 2016-11-16 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.07 Å) 主引用文献 Full antagonism of the estrogen receptor without a prototypical ligand side chain. Nat. Chem. Biol., 13, 2017
5KCT	Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-ethyl, 4-chlorobenzyl OBHS-N derivative 分子名称: (1R,2S,4R)-N-(4-chlorophenyl)-N-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, (1S,2R,4S)-N-(4-chlorophenyl)-N-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, ... 著者 Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. 登録日 2016-06-07 公開日 2016-11-16 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Full antagonism of the estrogen receptor without a prototypical ligand side chain. Nat. Chem. Biol., 13, 2017
6Z79	Variant Surface Glycoprotein VSGsur, I3C ("Magic Triangle") derivative used for phasing of the structure and subsequently as a model for molecular replacement of native, mutants, and drug soaks. 分子名称: 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Variant surface glycoprotein Sur, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose 著者 Zeelen, J.P, Straaten van, M, Stebbins, C.E. 登録日 2020-05-30 公開日 2021-03-17 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 Structure of trypanosome coat protein VSGsur and function in suramin resistance. Nat Microbiol, 6, 2021
4V5W	Grapevine Fanleaf virus 分子名称: COAT PROTEIN 著者 Schellenberger, P, Demangeat, G, Ritzenthaler, C, Lorber, B, Sauter, C. 登録日 2011-05-10 公開日 2014-07-09 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (3.7 Å) 主引用文献 Exploiting Protein Engineering and Crystal Polymorphism for Successful X-Ray Structure Determination Cryst.Growth Des., 11, 2011
5VVL	Cas1-Cas2 bound to full-site mimic with Ni 分子名称: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (11-MER), ... 著者 Wright, A.V, Knott, G.J, Doxzen, K.D, Doudna, J.A. 登録日 2017-05-19 公開日 2017-08-02 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (3.31 Å) 主引用文献 Structures of the CRISPR genome integration complex. Science, 357, 2017
7LLQ	Substrate-dependent divergence of leukotriene A4 hydrolase aminopeptidase activity 分子名称: 1-benzyl-4-methoxybenzene, 1-{4-oxo-4-[(2S)-pyrrolidin-2-yl]butanoyl}-L-proline, Leukotriene A-4 hydrolase, ... 著者 Lee, K.H, Lee, S.H, Shim, Y.M, Paige, M, Noble, S.M. 登録日 2021-02-04 公開日 2022-06-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Substrate-dependent modulation of the leukotriene A 4 hydrolase aminopeptidase activity and effect in a murine model of acute lung inflammation. Sci Rep, 12, 2022
4UGM	Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N,N'-(ethane-1,2-diyldibenzene-3,1-diyl)dithiophene-2-carboximidamide 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, N,N'-(ethane-1,2-diyldibenzene-3,1-diyl)dithiophene-2-carboximidamide, ... 著者 Holden, J.K, Poulos, T.L. 登録日 2015-03-22 公開日 2015-06-24 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
4UGQ	Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N,N''-(((2S)-3-aminopropane-1,2-diyl)bis(oxymethanediylbenzene-3,1- diyl))dithiophene-2-carboximidamide 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, GLYCEROL, ... 著者 Holden, J.K, Poulos, T.L. 登録日 2015-03-22 公開日 2015-06-24 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
4UGS	Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N,N'-(ethane-1,2-diylbis(oxybenzene-3,1-diyl))dithiophene-2- carboximidamide 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, N,N'-[ethane-1,2-diylbis(oxybenzene-3,1-diyl)]dithiophene-2-carboximidamide, ... 著者 Holden, J.K, Poulos, T.L. 登録日 2015-03-22 公開日 2015-06-24 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
4UG9	Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6,6'-((4-(3-aminopropyl)benzene-1,3-diyl)diethane-2,1-diyl)bis(4- methylpyridin-2-amine) 分子名称: 6,6'-{[4-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine), CHLORIDE ION, GLYCEROL, ... 著者 Holden, J.K, Poulos, T.L. 登録日 2015-03-22 公開日 2015-06-24 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.841 Å) 主引用文献 Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
4UGP	Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N',N'-(((2R)-3-aminopropane-1,2-diyl)bis(oxymethanediylbenzene-3,1- diyl))dithiophene-2-carboximidamide 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, GLYCEROL, ... 著者 Holden, J.K, Poulos, T.L. 登録日 2015-03-22 公開日 2015-06-24 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
6QE4	Re-refinement of 5OLI human IBA57-I3C 分子名称: 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Putative transferase CAF17, mitochondrial 著者 Calderone, V, Ciofi-Baffoni, S, Gourdoupis, S, Banci, L, Nasta, V. 登録日 2019-01-04 公開日 2019-03-13 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 In-house high-energy-remote SAD phasing using the magic triangle: how to tackle the P1 low symmetry using multiple orientations of the same crystal of human IBA57 to increase the multiplicity. Acta Crystallogr D Struct Biol, 75, 2019
7Y55	Crystal structure of a glutathione S-transferase Tau1 from Pinus densata in complex with GSH 分子名称: GLUTATHIONE, PdGSTU1 著者 Qu, C, Zeng, Q.Y. 登録日 2022-06-16 公開日 2022-12-07 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.19113064 Å) 主引用文献 Functional significance of asymmetrical retention of parental alleles in a hybrid pine species complex J Syst Evol, n/a, 2023
4O4S	Crystal structure of phycobiliprotein lyase CpcT complexed with phycocyanobilin (PCB) 分子名称: PHYCOCYANOBILIN, Phycocyanobilin lyase CpcT 著者 Zhou, W, Ding, W.-L, Zeng, X.-l, Dong, L.-L, Zhao, B, Zhou, M, Scheer, H, Zhao, K.-H, Yang, X. 登録日 2013-12-19 公開日 2014-08-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structure and Mechanism of the Phycobiliprotein Lyase CpcT. J.Biol.Chem., 289, 2014
4O4O	Crystal structure of phycobiliprotein lyase CpcT 分子名称: MAGNESIUM ION, Phycocyanobilin lyase CpcT 著者 Zhou, W, Ding, W.-L, Zeng, X.-l, Dong, L.-L, Zhao, B, Zhou, M, Scheer, H, Zhao, K.-H, Yang, X. 登録日 2013-12-19 公開日 2014-08-06 最終更新日 2014-10-15 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structure and Mechanism of the Phycobiliprotein Lyase CpcT. J.Biol.Chem., 289, 2014
7Y0I	Solution structures of ASH1L PHD domain in complex with H3K4me2 peptide 分子名称: ALA-ARG-THR-MLY-GLN-THR-ALA-ARG-LYS-SER-THR-GLY-GLY-LYS-ALA, Histone-lysine N-methyltransferase ASH1L, ZINC ION 著者 Yu, M, Zeng, L. 登録日 2022-06-05 公開日 2022-10-12 実験手法 SOLUTION NMR 主引用文献 Structural insight into ASH1L PHD finger recognizing methylated histone H3K4 and promoting cell growth in prostate cancer. Front Oncol, 12, 2022
2G0G	Structure-based drug design of a novel family of PPAR partial agonists: virtual screening, x-ray crystallography and in vitro/in vivo biological activities 分子名称: 3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]BENZENESULFONAMIDE, Peroxisome proliferator-activated receptor gamma 著者 Lu, I.L, Peng, Y.H, Huang, C.F, Lin, Y.T, Hsu, J.T.A, Wu, S.Y. 登録日 2006-02-13 公開日 2006-05-16 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.54 Å) 主引用文献 Structure-Based Drug Design of a Novel Family of PPARgamma Partial Agonists: Virtual Screening, X-ray Crystallography, and in Vitro/in Vivo Biological Activities J.Med.Chem., 49, 2006

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