PDB: 83343 件ウェブページステータス検索Chemie searchBIRD

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1TZ5	[pNPY19-23]-hPP bound to DPC Micelles 分子名称: Pancreatic prohormone,neuropeptide Y,Pancreatic prohormone 著者 Lerch, M, Kamimori, H, Folkers, G, Aguilar, M.I, Beck-Sickinger, A.G, Zerbe, O. 登録日 2004-07-09 公開日 2005-07-05 最終更新日 2020-01-01 実験手法 SOLUTION NMR 主引用文献 Strongly Altered Receptor Binding Properties in PP and NPY Chimeras Are Accompanied by Changes in Structure and Membrane Binding Biochemistry, 44, 2005
3EV2	Crystal Structure of Ribonuclease A in 70% Isopropanol 分子名称: ISOPROPYL ALCOHOL, Ribonuclease pancreatic 著者 Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C. 登録日 2008-10-12 公開日 2009-06-23 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Multiple solvent crystal structures of ribonuclease A: An assessment of the method Proteins, 76, 2009
2WD8	PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPANOSOMA BRUCEI IN COMPLEX WITH NADP AND DDD00071204 分子名称: 1-(3,4-DICHLOROBENZYL)-7-PHENYL-1H-BENZIMIDAZOL-2-AMINE, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Robinson, D.A, Wyatt, P.G, Spinks, D, Brenk, R. 登録日 2009-03-20 公開日 2009-06-30 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 One Scaffold, Three Binding Modes: Novel and Selective Pteridine Reductase 1 Inhibitors Derived from Fragment Hits Discovered by Virtual Screening. J.Med.Chem., 52, 2009
2C3C	2.01 Angstrom X-ray crystal structure of a mixed disulfide between coenzyme M and NADPH-dependent oxidoreductase 2-ketopropyl coenzyme M carboxylase 分子名称: 1-THIOETHANESULFONIC ACID, 2-OXOPROPYL-COM REDUCTASE, ACETONE, ... 著者 Pandey, A.S, Nocek, B, Clark, D.D, Ensign, S.A, Peters, J.W. 登録日 2005-10-05 公開日 2005-12-12 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Mechanistic Implications of the Structure of the Mixed-Disulfide Intermediate of the Disulfide Oxidoreductase, 2-Ketopropyl-Coenzyme M Oxidoreductase/Carboxylase. Biochemistry, 45, 2006
7QZL	Amine Dehydrogenase from Cystobacter fuscus (CfusAmDH) W145A mutant with NADP+ and pentylamine 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AMYLAMINE, Amine Dehydrogenase, ... 著者 Bennett, M, Ducrot, L, Vaxelaire-Vergne, C, Grogan, G. 登録日 2022-01-31 公開日 2022-12-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Cover Feature: Expanding the Substrate Scope of Native Amine Dehydrogenases through In Silico Structural Exploration and Targeted Protein Engineering (ChemCatChem 22/2022) Chemcatchem, 14, 2022
3LXS	Crystal structure analysis of cruzain bound to vinyl sulfone derived inhibitor (WRR483) 分子名称: (Z)-N-(5-GUANIDINO-1-OXO-1-(5-PHENYL-1-(PHENYLSULFONYL)PENT-1-EN-3-YLAMINO)PENTAN-2-YL)-4-METHYLPIPERAZINE-1-CARBOXAMID E, 1,2-ETHANEDIOL, Cruzain, ... 著者 Kerr, I.D, Brinen, L.S. 登録日 2010-02-25 公開日 2010-10-20 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 In vitro and in vivo studies of the trypanocidal properties of WRR-483 against Trypanosoma cruzi. Plos Negl Trop Dis, 4, 2010
2UUR	N-terminal NC4 domain of collagen IX 分子名称: 1,2-ETHANEDIOL, COLLAGEN ALPHA-1(IX) CHAIN, SULFATE ION, ... 著者 Leppanen, V.-M, Tossavainen, H, Permi, P, Lehtio, L, Ronnholm, G, Goldman, A, Kilpelainen, I, Pihlajamaa, T. 登録日 2007-03-07 公開日 2007-06-05 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal Structure of the N-Terminal Nc4 Domain of Collagen Ix, a Zinc Binding Member of the Laminin-Neurexin-Sex Hormone Binding Globulin (Lns) Domain Family. J.Biol.Chem., 282, 2007
6GXQ	Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1335 分子名称: 3-[5-[(4aR,8aS)-4-OXIDANYLIDENE-3-PROPAN-2-YL-4a,5,8,8a-TETRAHYDROPHTHALAZIN-1-YL]-2-METHOXY-PHENYL]-N-(PHENYLMETHYL)PROP-2-YNAMIDE, GLYCEROL, GUANIDINE, ... 著者 Singh, A.K, Brown, D.G. 登録日 2018-06-27 公開日 2019-07-10 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2). Bioorg.Med.Chem., 27, 2019
7ZV9	Crystal structure of FLT3 in complex with a monomeric FLT3 Ligand variant 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, Fms-related tyrosine kinase 3 ligand, ... 著者 Pannecoucke, E, Savvides, S.N. 登録日 2022-05-14 公開日 2023-05-31 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (4.507 Å) 主引用文献 Crystal structure of FLT3 in complex with a monomeric FLT3 Ligand variant To Be Published
5MYP	Structure of apo-TbALDH3 分子名称: Aldehyde dehydrogenase, GLYCEROL 著者 Zoltner, M, Zhang, N, Horn, D, Field, M.C. 登録日 2017-01-27 公開日 2017-04-19 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Activation of an anti-trypanosomal benzoxaborole requires both host and parasite factors To Be Published
3UV6	Ec_IspH in complex with 4-hydroxybutyl diphosphate (1301) 分子名称: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, 4-hydroxybutyl trihydrogen diphosphate, IRON/SULFUR CLUSTER 著者 Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M. 登録日 2011-11-29 公開日 2012-09-05 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Discovery of acetylene hydratase activity of the iron-sulphur protein IspH. Nat Commun, 3, 2012
3UWM	Ec_IspH in complex with 4-oxobutyl diphosphate (1302) 分子名称: (3E)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, 4-oxobutyl trihydrogen diphosphate, ... 著者 Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M. 登録日 2011-12-02 公開日 2012-09-05 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Discovery of acetylene hydratase activity of the iron-sulphur protein IspH. Nat Commun, 3, 2012
4P7M	Crystal structure of Plasmodium falciparum MIF in complex with 3-[(2-methyl-6-phenylpyridin-4-yl)oxy]phenol 分子名称: 3-[(2-methyl-6-phenylpyridin-4-yl)oxy]phenol, Macrophage migration inhibitory factor-like protein 著者 Pantouris, G, Lolis, E. 登録日 2014-03-27 公開日 2014-10-15 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (3.02 Å) 主引用文献 Crystallographic and Receptor Binding Characterization of Plasmodium falciparum Macrophage Migration Inhibitory Factor Complexed to Two Potent Inhibitors. J.Med.Chem., 57, 2014
4P7S	Crystal structure of PfMIF in complex with 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine 分子名称: 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine, Macrophage migration inhibitory factor-like protein 著者 Pantouris, G, Lolis, E. 登録日 2014-03-27 公開日 2014-10-15 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.87 Å) 主引用文献 Crystallographic and Receptor Binding Characterization of Plasmodium falciparum Macrophage Migration Inhibitory Factor Complexed to Two Potent Inhibitors. J.Med.Chem., 57, 2014
7FC9	Crystal structure of CmABCB1 in lipidic mesophase revealed by LCP-SFX 分子名称: ACETATE ION, CHLORIDE ION, MAGNESIUM ION, ... 著者 Pan, D, Oyama, R, Sato, T, Nakane, T, Mizunuma, R, Matsuoka, K, Joti, Y, Tono, K, Nango, E, Iwata, S, Nakatsu, T, Kato, H. 登録日 2021-07-14 公開日 2022-02-02 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal structure of CmABCB1 multi-drug exporter in lipidic mesophase revealed by LCP-SFX. Iucrj, 9, 2022
4EF9	Crystal structure of dihydroorotate dehydrogenase from Leishmania major in complex with 4-Nitrophenyl isothiocyanate 分子名称: Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... 著者 Pinheiro, M.P, Emery, F.S, Nonato, M.C. 登録日 2012-03-29 公開日 2012-12-12 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Target sites for the design of anti-trypanosomatid drugs based on the structure of dihydroorotate dehydrogenase. Curr.Pharm.Des., 19, 2013
4EF8	Crystal structure of dihydroorotate dehydrogenase from Leishmania major in complex with Phenyl isothiocyanate 分子名称: Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... 著者 Pinheiro, M.P, Emery, F.S, Nonato, M.C. 登録日 2012-03-29 公開日 2012-12-12 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.56 Å) 主引用文献 Target sites for the design of anti-trypanosomatid drugs based on the structure of dihydroorotate dehydrogenase. Curr.Pharm.Des., 19, 2013
5MS5	Low-salt structure of RavZ LIR2-fused human LC3B 分子名称: GLYCEROL, RavZ,Microtubule-associated proteins 1A/1B light chain 3B, SULFATE ION 著者 Pantoom, S, Vetter, I.R, Wu, Y.W. 登録日 2016-12-31 公開日 2017-04-19 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Elucidation of the anti-autophagy mechanism of the Legionella effector RavZ using semisynthetic LC3 proteins. Elife, 6, 2017
6EUM	CRYSTAL STRUCTURE OF BCII METALLO-BETA-LACTAMASE IN COMPLEX WITH DZ-307 分子名称: (~{Z})-2-sulfanyl-3-[2,3,6-tris(fluoranyl)phenyl]prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... 著者 Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J. 登録日 2017-10-30 公開日 2018-10-03 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.18 Å) 主引用文献 Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases. Bioorg. Med. Chem., 26, 2018
6EWE	Crystal structure of BCII Metallo-beta-lactamase in complex with DZ-308 分子名称: (~{Z})-3-(1-benzothiophen-3-yl)-2-sulfanyl-prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... 著者 Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J. 登録日 2017-11-03 公開日 2018-10-03 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.46 Å) 主引用文献 Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases. Bioorg. Med. Chem., 26, 2018
6FKZ	Crystal structure of zebrafish Sirtuin 5 in complex with 3-(phenylthio)succinyl-CPS1 peptide 分子名称: 3(R)-(phenylthio)succinyl-CPS1 peptide, 3(S)-(phenylthio)succinyl-CPS1 peptide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... 著者 Pannek, M, Steegborn, C. 登録日 2018-01-25 公開日 2018-05-16 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Potent and Selective Inhibitors of Human Sirtuin 5. J. Med. Chem., 61, 2018
5MS7	Crystal structure of the legionella pneumophila effector protein RavZ_20-502 分子名称: BARIUM ION, GLYCEROL, Legionella pneumophila effector protein RavZ 著者 Pantoom, S, Vetter, I.R, Wu, Y.W. 登録日 2016-12-31 公開日 2017-04-19 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Elucidation of the anti-autophagy mechanism of the Legionella effector RavZ using semisynthetic LC3 proteins. Elife, 6, 2017
3BMO	Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX4) 分子名称: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-[(4-methylphenyl)sulfanyl]pyrimidine-2,4-diamine, ... 著者 Martini, V.P, Iulek, J, Hunter, W.N, Tulloch, L.B. 登録日 2007-12-13 公開日 2008-12-16 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases. J.Med.Chem., 53, 2010
3BMN	Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX3) 分子名称: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ... 著者 Martini, V.P, Iulek, J, Tulloch, L.B, Hunter, W.N. 登録日 2007-12-13 公開日 2008-12-16 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases. J.Med.Chem., 53, 2010
3BMQ	Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX5) 分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-(benzylsulfanyl)pyrimidine-2,4-diamine, ACETATE ION, ... 著者 Martini, V.P, Iulek, J, Hunter, W.N. 登録日 2007-12-13 公開日 2008-12-16 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases. J.Med.Chem., 53, 2010

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