PDB: 230764 件ウェブページステータス検索Chemie searchBIRD

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7YFT	Crystal structure of the P450 BM3 heme domain mutant F87A/T268V/A82C/L181M in complex with N-imidazolyl-pentanoyl-L-phenylalanine, indane and hydroxylamine 分子名称: (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, 2,3-dihydro-1H-indene, Bifunctional cytochrome P450/NADPH--P450 reductase, ... 著者 Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. 登録日 2022-07-09 公開日 2023-05-24 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules. Angew.Chem.Int.Ed.Engl., 62, 2023
7YJE	Crystal structure of the P450 BM3 heme domain mutant F87G/T268V/A184V/A328V in complex with N-imidazolyl-hexanoyl-L-phenylalanine and acetate ion 分子名称: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, ACETATE ION, Bifunctional cytochrome P450/NADPH--P450 reductase, ... 著者 Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. 登録日 2022-07-20 公開日 2023-05-24 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules. Angew.Chem.Int.Ed.Engl., 62, 2023
7YJG	Crystal structure of the P450 BM3 heme domain mutant F87A/T268V/A82C/L181M in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine 分子名称: (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... 著者 Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. 登録日 2022-07-20 公開日 2023-05-24 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.684 Å) 主引用文献 Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules. Angew.Chem.Int.Ed.Engl., 62, 2023
6NMG	Crystal Structure of Rat Ric-8A G alpha binding domain 分子名称: Resistance to inhibitors of cholinesterase 8 homolog A (C. elegans), SULFATE ION 著者 Zeng, B, Mou, T.C, Sprang, S.R. 登録日 2019-01-10 公開日 2019-06-26 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structure, Function, and Dynamics of the G alpha Binding Domain of Ric-8A. Structure, 27, 2019
9C8L	High-resolution structure of cytochrome c peroxidase from yeast at ambient temperature and ambient pressure 分子名称: Cytochrome c peroxidase, mitochondrial, PROTOPORPHYRIN IX CONTAINING FE 著者 Zawistowski, R.K, Crane, B.R. 登録日 2024-06-12 公開日 2024-10-16 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Differential Responses in the Core, Active Site and Peripheral Regions of Cytochrome c Peroxidase to Extreme Pressure and Temperature. J.Mol.Biol., 436, 2024
9C8P	High-resolution structure of cytochrome c peroxidase from yeast at ambient temperature and 3.0 kbar 分子名称: Cytochrome c peroxidase, mitochondrial, PROTOPORPHYRIN IX CONTAINING FE 著者 Zawistowski, R.K, Crane, B.R. 登録日 2024-06-12 公開日 2024-10-16 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.31 Å) 主引用文献 Differential Responses in the Core, Active Site and Peripheral Regions of Cytochrome c Peroxidase to Extreme Pressure and Temperature. J.Mol.Biol., 436, 2024
6MOG	Dimeric DARPin C_R3 分子名称: 1,2-ETHANEDIOL, DARPin C_R3, TRIETHYLENE GLYCOL 著者 Jude, K.M, Mohan, K, Garcia, K.C. 登録日 2018-10-04 公開日 2019-06-05 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.21 Å) 主引用文献 Topological control of cytokine receptor signaling induces differential effects in hematopoiesis. Science, 364, 2019
6WY0	CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-40 A.K.A 7-[(1R)-1-phenyl-3-{[(1r,4r)-4-phenylcyclohexyl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ... 著者 Khan, J.A. 登録日 2020-05-12 公開日 2020-10-14 最終更新日 2024-12-25 実験手法 X-RAY DIFFRACTION (2.799 Å) 主引用文献 Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase. Bioorg.Med.Chem., 28, 2020
6UE3	Crystal structure of HCV NS3/4A D168A protease in complex with PC (JZ01-15) 分子名称: 1,2-ETHANEDIOL, GLYCEROL, NS3 protease, ... 著者 Zephyr, J, Schiffer, C.A. 登録日 2019-09-20 公開日 2020-03-04 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.56 Å) 主引用文献 Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors. Mbio, 11, 2020
4WK1	Crystal structure of Staphylococcus aureus PstA in complex with c-di-AMP 分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, CALCIUM ION, PstA 著者 Mueller, M, Hopfner, K.-P, Witte, G. 登録日 2014-10-01 公開日 2014-11-26 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 c-di-AMP recognition by Staphylococcus aureus PstA. Febs Lett., 589, 2015
6UL3	Crystal structure of a lysozyme from Litopenaeus vannamei 分子名称: Lysozyme 著者 Hernandez-Santoyo, A, Rodriguez-Romero, A. 登録日 2019-10-06 公開日 2020-03-25 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Crystal structure of a C-type lysozyme from Litopenaeus vanamei exhibiting a high binding constant to its chitotriose inhibitor. Fish Shellfish Immunol., 100, 2020
7ZFG	VDR complex with aromatic D-ring analog 分子名称: (1R,3S,5Z)-4-methylidene-5-[(E)-9-methyl-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]-9-oxidanyl-dec-2-enylidene]cyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 1, ... 著者 Rochel, N. 登録日 2022-04-01 公開日 2022-11-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.62 Å) 主引用文献 Design, Synthesis, Biological Activity, and Structural Analysis of Novel Des-C-Ring and Aromatic-D-Ring Analogues of 1 alpha ,25-Dihydroxyvitamin D 3. J.Med.Chem., 65, 2022
6UKC	Crystal structure of a lysozyme from Litopenaeus vannamei 分子名称: GLYCEROL, Lysozyme 著者 Hernandez-Santoyo, A, Rodriguez-Romero, A. 登録日 2019-10-04 公開日 2020-03-25 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Crystal structure of a C-type lysozyme from Litopenaeus vanamei exhibiting a high binding constant to its chitotriose inhibitor. Fish Shellfish Immunol., 100, 2020
6Y9O	Crystal structure of Whirlin PDZ3_C-ter in complex with CASK internal PDZ binding motif peptide 分子名称: Peripheral plasma membrane protein CASK, Whirlin 著者 Zhu, Y, Delhommel, F, Haouz, A, Caillet-Saguy, C, Vaney, M, Mechaly, A.E, Wolff, N. 登録日 2020-03-10 公開日 2020-10-07 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.632 Å) 主引用文献 Deciphering the Unexpected Binding Capacity of the Third PDZ Domain of Whirlin to Various Cochlear Hair Cell Partners. J.Mol.Biol., 432, 2020
6SYS	Crystal structure of (3aR,4S,9bS)-4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide with carbonic anhydrase 2 分子名称: (4~{S})-4-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide, GLYCEROL, ZINC ION, ... 著者 Angeli, A, Ferraroni, M. 登録日 2019-10-01 公開日 2020-10-14 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Crystal structure of (3aR,4S,9bS)-4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide with carbonic anhydrase 2 To Be Published
9C8M	High-resolution structure of cytochrome c peroxidase from yeast under cryogenic conditions and ambient pressure 分子名称: Cytochrome c peroxidase, mitochondrial, PROTOPORPHYRIN IX CONTAINING FE 著者 Zawistowski, R.K, Crane, B.R. 登録日 2024-06-12 公開日 2024-10-16 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Differential Responses in the Core, Active Site and Peripheral Regions of Cytochrome c Peroxidase to Extreme Pressure and Temperature. J.Mol.Biol., 436, 2024
9C8O	High-resolution structure of cytochrome c peroxidase from yeast at ambient temperature and 1.5 kbar 分子名称: Cytochrome c peroxidase, mitochondrial, PEROXIDE ION, ... 著者 Zawistowski, R.K, Crane, B.R. 登録日 2024-06-12 公開日 2024-10-16 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.31 Å) 主引用文献 Differential Responses in the Core, Active Site and Peripheral Regions of Cytochrome c Peroxidase to Extreme Pressure and Temperature. J.Mol.Biol., 436, 2024
6Y9Q	Crystal structure of Whirlin PDZ3_C-ter in complex with Taperin internal PDZ binding motif peptide 分子名称: Taperin, Whirlin 著者 Zhu, Y, Delhommel, F, Haouz, A, Caillet-Saguy, C, Vaney, M, Mechaly, A.E, Wolff, N. 登録日 2020-03-10 公開日 2020-10-07 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.315 Å) 主引用文献 Deciphering the Unexpected Binding Capacity of the Third PDZ Domain of Whirlin to Various Cochlear Hair Cell Partners. J.Mol.Biol., 432, 2020
6OGH	Structure of Aedes aegypti OBP22 in the complex with linoleic acid 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AAEL005772-PA, CADMIUM ION, ... 著者 Jones, D.N, Wang, J. 登録日 2019-04-02 公開日 2019-04-24 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail. Sci Rep, 10, 2020
8PNQ	Influenza A/H7N9 polymerase in elongation state with continuous Pol II pS5 CTD peptide mimic bound in site 1A/2A 分子名称: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, 51-mer vRNA loop (v51_mut_S), MAGNESIUM ION, ... 著者 Arragain, B, Cusack, S. 登録日 2023-06-30 公開日 2024-02-21 最終更新日 2024-11-13 実験手法 ELECTRON MICROSCOPY (2.88 Å) 主引用文献 The host RNA polymerase II C-terminal domain is the anchor for replication of the influenza virus genome. Nat Commun, 15, 2024
8PNP	Influenza A/H7N9 polymerase in pre-initiation state with continuous Pol II pS5 CTD peptide mimic bound in site 1A/2A 分子名称: 51-mer vRNA loop (v51_mut_S), Polymerase acidic protein, Polymerase basic protein 2, ... 著者 Arragain, B, Cusack, S. 登録日 2023-06-30 公開日 2024-02-21 最終更新日 2024-11-06 実験手法 ELECTRON MICROSCOPY (2.49 Å) 主引用文献 The host RNA polymerase II C-terminal domain is the anchor for replication of the influenza virus genome. Nat Commun, 15, 2024
7JX0	NVS-PI3-4 bound to the PI3Kg catalytic subunit p110 gamma 分子名称: N~3~-{[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}-N-tert-butyl-beta-alaninamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 著者 Burke, J.E, Rathinaswamy, M.K, Harris, N.J. 登録日 2020-08-26 公開日 2021-03-17 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3.15 Å) 主引用文献 Disease related mutations in PI3K gamma disrupt regulatory C-terminal dynamics and reveal a path to selective inhibitors. Elife, 10, 2021
7JWZ	IPI-549 bound to the PI3Kg catalytic subunit p110 gamma 分子名称: 2-amino-N-[(1S)-1-{8-[(1-methyl-1H-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl}ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 著者 Burke, J.E, Rathinaswamy, M.K, Harris, N.J. 登録日 2020-08-26 公開日 2021-03-17 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Disease related mutations in PI3K gamma disrupt regulatory C-terminal dynamics and reveal a path to selective inhibitors. Elife, 10, 2021
5OF0	X-ray structure of human glutamate carboxypeptidase II (GCPII), the E424M inactive mutant, in complex with a inhibitor CFBzOG 分子名称: (2~{S})-2-[[(2~{S})-6-[(4-fluorophenyl)methylamino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Novakova, Z, Motlova, L, Barinka, C. 登録日 2017-07-10 公開日 2018-08-01 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.48 Å) 主引用文献 2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics. ACS Med Chem Lett, 9, 2018
1YCW	Clustered abasic lesions in dna: nmr solution structures of clustered bistranded-1 abasic lesion 分子名称: 5'-D(*CP*GP*CP*AP*TP*GP*(3DR)P*GP*TP*AP*CP*GP*C)-3', 5'-D(*GP*CP*GP*TP*AP*CP*CP*(3DR)P*AP*TP*GP*CP*G)-3' 著者 Hazel, R.D, de los Santos, C. 登録日 2004-12-23 公開日 2005-12-06 最終更新日 2024-05-01 実験手法 SOLUTION NMR 主引用文献 NMR solution structures of bistranded abasic site lesions in DNA. Biochemistry, 47, 2008

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