PDB: 66507 件ウェブページステータス検索Chemie searchBIRD

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7L7N	Crystal structure of HCV NS3/4A D168A protease in complex with NR02-59 分子名称: 1,2-ETHANEDIOL, 1-(trifluoromethyl)cyclobutyl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, NS3 protease, ... 著者 Zephyr, J, Schiffer, C.A. 登録日 2020-12-29 公開日 2021-09-01 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 Discovery of Quinoxaline-Based P1-P3 Macrocyclic NS3/4A Protease Inhibitors with Potent Activity against Drug-Resistant Hepatitis C Virus Variants. J.Med.Chem., 64, 2021
7L7L	Crystal structure of HCV NS3/4A D168A protease in complex with NR01-129 分子名称: 1,1,1-trifluoro-2-methylpropan-2-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, 1,2-ETHANEDIOL, NS3/4A protease, ... 著者 Zephyr, J, Schiffer, C.A. 登録日 2020-12-29 公開日 2021-09-01 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Discovery of Quinoxaline-Based P1-P3 Macrocyclic NS3/4A Protease Inhibitors with Potent Activity against Drug-Resistant Hepatitis C Virus Variants. J.Med.Chem., 64, 2021
5W7Y	Crystal Structure of FHA domain of human APLF in complex with XRCC1 monophosphorylated mutated peptide 分子名称: Aprataxin and PNK-like factor, DNA repair protein XRCC1 著者 Pedersen, L.C, Kim, K, London, R.E. 登録日 2017-06-21 公開日 2018-05-02 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Characterization of the APLF FHA-XRCC1 phosphopeptide interaction and its structural and functional implications. Nucleic Acids Res., 45, 2017
7QGL	Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative, compound 21 in paper) in the open state 分子名称: 5'-nucleotidase, CALCIUM ION, PENTAETHYLENE GLYCOL, ... 著者 Strater, N. 登録日 2021-12-08 公開日 2022-02-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors. J.Med.Chem., 65, 2022
7QGA	Human CD73 (ecto 5'-nucleotidase) in complex with MRS4598 (a 3-methyl-CMPCP derivative, compound 16 in paper) in the open state 分子名称: 5'-nucleotidase, CALCIUM ION, TETRAETHYLENE GLYCOL, ... 著者 Strater, N. 登録日 2021-12-07 公開日 2022-02-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors. J.Med.Chem., 65, 2022
7KFM	Room temperature oxyferrous Dehaloperoxidase B 分子名称: 2-(2-METHOXYETHOXY)ETHANOL, Dehaloperoxidase B, OXYGEN MOLECULE, ... 著者 Carey, L.M, Ghiladi, R.A. 登録日 2020-10-14 公開日 2021-10-20 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature. Iucrj, 9, 2022
7SSI	CRYSTAL STRUCTURE OF THE DESK:DESR-Q10A COMPLEX IN THE PHOSPHOTRANSFER STATE 分子名称: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Sensor histidine kinase DesK, ... 著者 Trajtenberg, F, Buschiazzo, A. 登録日 2021-11-11 公開日 2022-11-16 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (3.41 Å) 主引用文献 An allosteric switch ensures efficient unidirectional information transmission by the histidine kinase DesK from Bacillus subtilis. Sci.Signal., 16, 2023
5IKS	Wild-type sperm whale myoglobin with a Fe-phenyl moiety 分子名称: GLYCEROL, Myoglobin, SULFATE ION, ... 著者 Wang, B, Thomas, L.M, Richter-Addo, G.B. 登録日 2016-03-03 公開日 2016-09-21 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Organometallic myoglobins: Formation of Fe-carbon bonds and distal pocket effects on aryl ligand conformations. J. Inorg. Biochem., 164, 2016
5IKU	Crystal structure of the Hathewaya histolytica ColG tandem collagen-binding domain s3as3b in the presence of calcium at 1.9 Angstrom resolution 分子名称: CALCIUM ION, Collagenase 著者 Janowska, K, Bauer, R, Roeser, R, Sakon, J, Matsushita, O. 登録日 2016-03-03 公開日 2017-03-15 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Ca2+-induced orientation of tandem collagen binding domains from clostridial collagenase ColG permits two opposing functions of collagen fibril formation and retardation. Febs J., 285, 2018
7QDN	Structure of human liver pyruvate kinase from which the B domain has been deleted 分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, OXALIC ACID, ... 著者 Lulla, A, Hyvonen, M. 登録日 2021-11-27 公開日 2022-03-30 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.695 Å) 主引用文献 Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase. Eur.J.Med.Chem., 234, 2022
5Y2H	Crystal structure of the oligomerization domain of NSP4 from the rotavirus strain MF66 分子名称: Nonstructural protein 4 著者 Suguna, K, Kumar, S. 登録日 2017-07-25 公開日 2018-03-14 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 New tetrameric forms of the rotavirus NSP4 with antiparallel helices. Arch. Virol., 163, 2018
5YO1	Structure of ePepN E298A mutant in complex with Puromycin 分子名称: Aminopeptidase N, GLYCEROL, PUROMYCIN, ... 著者 Ganji, R.J, Reddi, R, Marapaka, A.K, Addlagatta, A. 登録日 2017-10-26 公開日 2018-11-07 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Puromycin, a selective inhibitor of PSA acts as a substrate for other M1 family aminopeptidases: Biochemical and structural basis Int.J.Biol.Macromol., 165, 2020
5Y4N	Crystal structure of aerobically purified and anaerobically crystallized D. vulgaris Miyazaki F [NiFe]-hydrogenase 分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... 著者 Nishikawa, K, Mochida, S, Hiromoto, T, Shibata, N, Higuchi, Y. 登録日 2017-08-04 公開日 2018-08-08 最終更新日 2020-02-19 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 Ni-elimination from the active site of the standard [NiFe]‐hydrogenase upon oxidation by O2. J.Inorg.Biochem., 177, 2017
5YR0	Structure of Beclin1-UVRAG coiled coil domain complex 分子名称: Beclin-1, UV radiation resistance associated protein 著者 Pan, X, Zhao, Y, He, Y. 登録日 2017-11-08 公開日 2018-06-13 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Targeting the potent Beclin 1-UVRAG coiled-coil interaction with designed peptides enhances autophagy and endolysosomal trafficking. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5YR6	Human methionine aminopeptidase type 1b (F309L mutant) in complex with TNP470 分子名称: (1R,2S,3S,4R)-4-hydroxy-2-methoxy-4-methyl-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexyl (chloroacetyl)carbamate, COBALT (II) ION, Methionine aminopeptidase 1, ... 著者 Pillalamarri, V, Arya, T, Addlagatta, A. 登録日 2017-11-08 公開日 2018-11-14 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Discovery of natural product ovalicin sensitive type 1 methionine aminopeptidases: molecular and structural basis. Biochem. J., 476, 2019
7L72	Crystal structure of the second bromodomain (BD2) of human BRD3 bound to Ro3280 分子名称: 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 3 著者 Karim, M.R, Bikowitz, M, Schonbrunn, E. 登録日 2020-12-25 公開日 2021-11-17 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 64, 2021
1YP1	Crystal structure of a non-hemorrhagic fibrin(ogen)olytic metalloproteinase from venom of Agkistrodon acutus 分子名称: FII, KNL, ZINC ION 著者 Lou, Z, Hou, J, Chen, J, Liang, X, Qiu, P, Liu, Y, Li, M, Rao, Z. 登録日 2005-01-28 公開日 2006-01-17 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structure of a non-hemorrhagic fibrin(ogen)olytic metalloproteinase complexed with a novel natural tri-peptide inhibitor from venom of Agkistrodon acutus J.Struct.Biol., 152, 2005
5Y19	Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido)- N-hydroxy-4-methylpentanamide. 分子名称: (2S)-2-[[(2S,3R)-3-azanyl-2-oxidanyl-4-phenyl-butanoyl]amino]-4-methyl-N-oxidanyl-pentanamide, GLYCEROL, M1 family aminopeptidase, ... 著者 Marapaka, A.K, Zhang, Y, Addlagatta, A. 登録日 2017-07-19 公開日 2018-08-01 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido)- N-hydroxy-4-methylpentanamide. To Be Published
7T5C	X-ray structure of Neurospora crassa Polysaccharide Monooxygenase 9D (NcLPMO9D) at low pH 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Lytic polysaccharide monooxygenase, ... 著者 Schroder, G.C, Meilleur, F. 登録日 2021-12-11 公開日 2022-12-28 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Capture of activated dioxygen intermediates at the copper-active site of a lytic polysaccharide monooxygenase. Chem Sci, 13, 2022
1YNS	Crystal Structure Of Human Enolase-phosphatase E1 and its complex with a substrate analog 分子名称: 2-OXOHEPTYLPHOSPHONIC ACID, E-1 enzyme, MAGNESIUM ION 著者 Wang, H, Pang, H, Bartlam, M, Rao, Z. 登録日 2005-01-25 公開日 2005-05-17 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Crystal structure of human e1 enzyme and its complex with a substrate analog reveals the mechanism of its phosphatase/enolase J.Mol.Biol., 348, 2005
7T5E	Neutron structure of Neurospora crassa Polysaccharide Monooxygenase 9D (NcLPMO9D) low pH vapor exchange 分子名称: COPPER (II) ION, Lytic polysaccharide monooxygenase, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose 著者 Schroder, G.C, Meilleur, F. 登録日 2021-12-11 公開日 2022-12-28 最終更新日 2024-04-03 実験手法 NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION 主引用文献 Capture of activated dioxygen intermediates at the copper-active site of a lytic polysaccharide monooxygenase. Chem Sci, 13, 2022
7SU8	DIHYDRONEOPTERIN ALDOLASE (DHNA) FROM YERSINIA PESTIS with alkylated Cys50 CO-CRYSTALLIZED with 7,8-dihydroneopterin 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ETHYL-PYRROLIDINE-2,5-DIONE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... 著者 Bourne, C.R. 登録日 2021-11-16 公開日 2022-12-28 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 DIHYDRONEOPTERIN ALDOLASE (DHNA) FROM YERSINIA PESTIS with alkylated Cys50 CO-CRYSTALLIZED with 7,8-dihydroneopterin To Be Published
7SU6	DIHYDRONEOPTERIN ALDOLASE (DHNA) Lys98Ala FROM YERSINIA PESTIS CO-CRYSTALLIZED with 7,8-dihydroneopterin 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE, 7,8-dihydroneopterin aldolase 著者 Bourne, C.R. 登録日 2021-11-16 公開日 2022-12-28 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 DIHYDRONEOPTERIN ALDOLASE (DHNA) Lys98Ala FROM YERSINIA PESTIS CO-CRYSTALLIZED with 7,8-dihydroneopterin To Be Published
7SU4	Dihydroneopterin aldolase (DHNA) Tyr53Phe from Yersinia pestis co-crystallized with 7,8-dihydroneopterin 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE, 7,8-dihydroneopterin aldolase, ... 著者 Bourne, C.R. 登録日 2021-11-16 公開日 2022-12-28 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Dihydroneopterin aldolase (DHNA) Tyr53Phe from Yersinia pestis co-crystallized with 7,8-dihydroneopterin To Be Published
7SU7	Dihydroneopterin aldolase (DHNA) from Yersinia pestis co-crystallized with product 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, ... 著者 Bourne, C.R. 登録日 2021-11-16 公開日 2022-12-28 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Dihydroneopterin aldolase (DHNA) from Yersinia pestis co-crystallized with product To Be Published

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