PDB: 37044 件ウェブページステータス検索Chemie searchBIRD

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4H23	Cytochrome P411BM3-CIS cyclopropanation catalyst 分子名称: Cytochrome P450-BM3 variant P411BM3-Cis, PROTOPORPHYRIN IX CONTAINING FE 著者 Coelho, P.S, Wang, Z.J, Ener, M.E, Baril, S.A, Kannan, A, Arnold, F.H, Brustad, E.M. 登録日 2012-09-11 公開日 2013-06-26 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 A serine-substituted P450 catalyzes highly efficient carbene transfer to olefins in vivo. Nat.Chem.Biol., 9, 2013
4HDP	Crystal Structure of HIV-1 protease mutants I50V complexed with inhibitor GRL-0519 分子名称: (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, HIV-1 Protease, ... 著者 Shen, C.H, Zhang, H, Weber, I.T. 登録日 2012-10-02 公開日 2013-08-14 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.22 Å) 主引用文献 Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease. J.Med.Chem., 56, 2013
4J9D	Crystal structure of the N114A mutant of the Abl-SH3 domain complexed with the high affinity peptide P0 分子名称: P0, SULFATE ION, Tyrosine-protein kinase ABL1 著者 Camara-Artigas, A. 登録日 2013-02-16 公開日 2014-01-29 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Crystal structure of the N114A mutant of the Abl-SH3 domain complexed with the high affinity peptide P0 To be Published
7Z1G	Crystal structure of nonphosphorylated (Tyr216) GSK3b in complex with CX-4945 分子名称: 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Glycogen synthase kinase-3 beta, IMIDAZOLE, ... 著者 Grygier, P, Pustelny, K, Dubin, G, Czarna, A. 登録日 2022-02-24 公開日 2023-03-08 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Crystal structure of nonphosphorylated (Tyr216) GSK3b kinase in complex with CX-4945 To Be Published
4H3F	Structure of BACE Bound to 3-(5-((7aR)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-3-yl)benzonitrile 分子名称: 3-{5-[(2E,4aR,7aR)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID 著者 Strickland, C, Mandal, M. 登録日 2012-09-13 公開日 2012-11-07 最終更新日 2012-11-21 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation. J.Med.Chem., 55, 2012
1GB6	CRYSTAL STRUCTURE OF MUTANT HUMAN LYSOZYME SUBSTITUTED AT THE SURFACE POSITIONS 分子名称: LYSOZYME, SODIUM ION 著者 Funahashi, J, Takano, K, Yamagata, Y, Yutani, K. 登録日 2000-06-26 公開日 2000-07-27 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Role of surface hydrophobic residues in the conformational stability of human lysozyme at three different positions. Biochemistry, 39, 2000
3ZK5	PikC D50N mutant bound to the 10-DML analog with the 3-(N,N-dimethylamino)ethanoate anchoring group 分子名称: (3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl N,N-dimethylglycinate, CYTOCHROME P450 HYDROXYLASE PIKC, PROTOPORPHYRIN IX CONTAINING FE 著者 Podust, L.M. 登録日 2013-01-21 公開日 2014-01-29 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 Directing Group-Controlled Regioselectivity in an Enzymatic C-H Bond Oxygenation. J.Am.Chem.Soc., 136, 2014
7Z1F	Crystal structure of GSK3b in complex with CX-4945 分子名称: 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Glycogen synthase kinase-3 beta, IMIDAZOLE, ... 著者 Grygier, P, Pustelny, K, Dubin, G, Czarna, A. 登録日 2022-02-24 公開日 2023-03-08 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Crystal structure of phosphorylated (Tyr216) GSK3b kinase in complex with CX-4945 To Be Published
7Z6G	X-ray structure of the adduct obtained upon reaction of [Rh2(OCOCH3)(OCOCF3)3] with RNase A (2) 分子名称: (mi2-acetato-O, O')-hexaaquo-dirhodium (II), Rhodium, ... 著者 Loreto, D, Merlino, A. 登録日 2022-03-11 公開日 2023-03-22 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.71 Å) 主引用文献 Reactivity of a fluorine-containing dirhodium tetracarboxylate compound with proteins Dalton Trans, 51, 2022
2ZHT	Crystal structure of BACE1 at pH 4.5 分子名称: Beta-secretase 1 著者 Shimizu, H, Nukina, N. 登録日 2008-02-08 公開日 2008-04-22 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Crystal structure of an active form of BACE1, an enzyme responsible for amyloid beta protein production Mol.Cell.Biol., 28, 2008
4H5N	HSC70 NBD with PO4, Na, Cl 分子名称: CHLORIDE ION, GLYCEROL, Heat shock cognate 71 kDa protein, ... 著者 Stec, B. 登録日 2012-09-18 公開日 2014-03-19 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 New crystal structures of HSC-70 ATP binding domain confirm the role of individual binding pockets and suggest a new method of inhibition. Biochimie, 108, 2015
7Z6J	X-ray structure of the adduct obtained upon reaction of [Rh2(OCOCH3)(OCOCF3)3] with HEWL 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lysozyme, Rhodium, ... 著者 Loreto, D, Merlino, A. 登録日 2022-03-11 公開日 2023-03-22 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Reactivity of a fluorine-containing dirhodium tetracarboxylate compound with proteins Dalton Trans, 51, 2022
7YLK	Myoglobin containing Ir complex 分子名称: Myoglobin, SULFATE ION, delta-{1-([2,2'-bipyridin]-5-ylmethyl)pyrrolidine-2,5-dione}bis[2-(2,4-difluorophenyl)pyridine)]iridium(III), ... 著者 Lee, J.H, Song, W.J. 登録日 2022-07-26 公開日 2023-03-15 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Photocatalytic C-O Coupling Enzymes That Operate via Intramolecular Electron Transfer. J.Am.Chem.Soc., 145, 2023
7ZCD	Mutant L39Y-L58F of recombinant bovine beta-lactoglobulin in complex with pramocaine 分子名称: Beta-lactoglobulin, Pramocaine, SULFATE ION 著者 Loch, J.I, Kurpiewska, K, Bonarek, P. 登録日 2022-03-27 公開日 2023-04-05 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 beta-Lactoglobulin variants as potential carriers of pramoxine: Comprehensive structural and biophysical studies. J.Mol.Recognit., 36, 2023
3ZMG	CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH CHEMICAL LIGAND 分子名称: BETA-SECRETASE 1, DIMETHYL SULFOXIDE, N-[3-[(4R)-2-azanylidene-5,5-bis(fluoranyl)-4-methyl-1,3-oxazinan-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide, ... 著者 Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M. 登録日 2013-02-08 公開日 2013-05-01 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 Beta-Secretase (Bace1) Inhibitors with High in Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer'S Disease. J.Med.Chem., 56, 2013
7Z5I	Transcription factor MYF5 bound to symmetrical site 分子名称: DNA (5'-D(P*AP*CP*GP*CP*GP*TP*CP*AP*GP*CP*TP*GP*AP*CP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*CP*GP*TP*CP*AP*GP*CP*TP*GP*AP*CP*GP*CP*GP*T)-3'), Myogenic factor 5 著者 Morgunova, E, Popov, A, Yin, Y, Taipale, J. 登録日 2022-03-09 公開日 2023-03-22 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Transcription factor MYF5 bound to symmetrical site To Be Published
4J6Q	Crystal structure of calcium2+-free wild-type CD23 lectin domain (crystal form G) 分子名称: Low affinity immunoglobulin epsilon Fc receptor 著者 Dhaliwal, B, Pang, M.O.Y, Sutton, B.J. 登録日 2013-02-11 公開日 2013-08-28 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.539 Å) 主引用文献 Conformational plasticity at the IgE-binding site of the B-cell receptor CD23. Mol.Immunol., 56, 2013
3ZPS	Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors 分子名称: CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[(4R)-5-[[(2S)-3,3-dimethyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-(phenylmethyl)pentyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate 著者 Joshi, A, Veron, J.B, Unge, J, Rosenquist, A, Wallberg, H, Samuelsson, B, Hallberg, A, Larhed, M. 登録日 2013-03-01 公開日 2013-11-06 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors. J.Med.Chem., 56, 2013
3REF	Crystal structure of EhRho1 bound to GDP and Magnesium 分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho-like small GTPase, ... 著者 Bosch, D.E, Qiu, C, Siderovski, D.P. 登録日 2011-04-04 公開日 2011-09-28 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Unique structural and nucleotide exchange features of the Rho1 GTPase of Entamoeba histolytica. J.Biol.Chem., 286, 2011
7Z5K	Transcription factor MYF5 bound to non-symmetrical site 分子名称: DNA (5'-D(P*AP*CP*GP*CP*GP*TP*CP*AP*GP*CP*TP*GP*TP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*CP*AP*AP*CP*AP*GP*CP*TP*GP*AP*CP*GP*CP*GP*T)-3'), Myogenic factor 5 著者 Morgunova, E, Popov, A, Yin, Y, Taipale, J. 登録日 2022-03-09 公開日 2023-03-22 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 Transcription factor MYF5 bound to non-symmetrical site To Be Published
7Z5N	Crystal structure of DYRK1A in complex with CX-4945 分子名称: 1,2-ETHANEDIOL, 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... 著者 Pustelny, K, Grygier, P, Golik, P, Dubin, G, Czarna, A. 登録日 2022-03-09 公開日 2023-03-22 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.77 Å) 主引用文献 Crystal structure DYRK1A in complex with CX-4945 To Be Published
1GBL	ALPHA-LYTIC PROTEASE WITH MET 190 REPLACED BY ALA COMPLEX WITH METHOXYSUCCINYL-ALA-ALA-PRO-LEUCINE BORONIC ACID 分子名称: ALPHA-LYTIC PROTEASE, METHOXYSUCCINYL-ALA-ALA-PRO-LEUCINE BORONIC ACID INHIBITOR, SULFATE ION 著者 Mace, J.E, Agard, D.A. 登録日 1995-09-06 公開日 1996-01-29 最終更新日 2021-11-03 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Kinetic and structural characterization of mutations of glycine 216 in alpha-lytic protease: a new target for engineering substrate specificity. J.Mol.Biol., 254, 1995
4L4F	Structure of cyanide and camphor bound P450cam mutant L358A/K178G/D182N 分子名称: CAMPHOR, CYANIDE ION, Camphor 5-monooxygenase, ... 著者 Batabyal, D, Li, H, Poulos, T.L. 登録日 2013-06-07 公開日 2013-07-31 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.294 Å) 主引用文献 Synergistic Effects of Mutations in Cytochrome P450cam Designed To Mimic CYP101D1. Biochemistry, 52, 2013
1GBI	ALPHA-LYTIC PROTEASE WITH MET 190 REPLACED BY ALA AND GLY 216 REPLACED BY LEU COMPLEX WITH METHOXYSUCCINYL-ALA-ALA-PRO-PHENYLALANINE BORONIC ACID 分子名称: ALPHA-LYTIC PROTEASE, METHOXYSUCCINYL-ALA-ALA-PRO-PHENYLALANINE BORONIC ACID INHIBITOR, SULFATE ION 著者 Mace, J.E, Agard, D.A. 登録日 1995-09-06 公開日 1996-01-29 最終更新日 2021-11-03 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Kinetic and structural characterization of mutations of glycine 216 in alpha-lytic protease: a new target for engineering substrate specificity. J.Mol.Biol., 254, 1995
4LE2	Crystal structure of the unphosphorylated receiver domain of DesR in the active state 分子名称: PHOSPHATE ION, POTASSIUM ION, Transcriptional regulatory protein DesR 著者 Trajtenberg, F, Larrieux, N, Buschiazzo, A. 登録日 2013-06-25 公開日 2014-07-16 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.54 Å) 主引用文献 Allosteric activation of bacterial response regulators: the role of the cognate histidine kinase beyond phosphorylation. MBio, 5, 2014

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