PDB: 19129 件ウェブページステータス検索Chemie searchBIRD

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4DVF	Crystal structure of BACE1 with its inhibitor 分子名称: Beta-secretase 1, METHYL (2S)-1-[(2R,5S,8S,12S,13S)-2,13-DIBENZYL-12-HYDROXY-3,5-DIMETHYL-8-(2-METHYLPROPYL)-15-(3-[(METHYLSULFONYL)AMINO]-5-{[(1R)-1-PHENYLETHYL]CARBAMOYL}PHENYL)-4,7,10,15-TETRAOXO-3,6,9,14-TETRAAZAPENTADECAN-1-OYL]PYRROLIDINE-2-CARBOXYLATE 著者 Xu, Y.C, Chen, W.Y, Li, L, Chen, T.T. 登録日 2012-02-23 公開日 2013-01-16 最終更新日 2021-09-15 実験手法 X-RAY DIFFRACTION (1.803 Å) 主引用文献 Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases J.Med.Chem., 55, 2012
4DL1	Crystal Structure of human Myeloperoxidase with covalent thioxanthine analog 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one, CALCIUM ION, ... 著者 Vajdos, F, Varghese, A. 登録日 2012-02-05 公開日 2012-03-21 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Deconstruction of activity-dependent covalent modification of heme in human neutrophil myeloperoxidase by multistage mass spectrometry (MS(4)). Biochemistry, 51, 2012
4E0O	SVQIVYK segment from human Tau (305-311) displayed on 54-membered macrocycle scaffold (form III) 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclic pseudo-peptide SVQIVYK(ORN)EF(HAO)(4BF)K(ORN), PHOSPHATE ION 著者 Zhao, M, Liu, C, Sawaya, M.R, Eisenberg, D. 登録日 2012-03-04 公開日 2012-12-19 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Out-of-register beta-sheets suggest a pathway to toxic amyloid aggregates. Proc.Natl.Acad.Sci.USA, 109, 2012
4DK6	Structure of Editosome protein 分子名称: RNA-editing complex protein MP81, single domain antibody VHH 著者 Park, Y.-J, Hol, W. 登録日 2012-02-03 公開日 2012-07-04 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 The structure of the C-terminal domain of the largest editosome interaction protein and its role in promoting RNA binding by RNA-editing ligase L2. Nucleic Acids Res., 40, 2012
4DI8	CRYSTAL STRUCTURE OF THE D248A mutant of 2-PYRONE-4,6-DICARBOXYLIC ACID HYDROLASE FROM SPHINGOMONAS PAUCIMOBILIS complexed with substrate at pH 8.5 分子名称: (1E,3Z)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylic acid, 2-oxo-2H-pyran-4,6-dicarboxylic acid, 2-pyrone-4,6-dicarbaxylate hydrolase, ... 著者 Malashkevich, V.N, Toro, R, Hobbs, M.E, Raushel, F.M, Almo, S.C. 登録日 2012-01-11 公開日 2012-10-03 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 Structure and Catalytic Mechanism of LigI: Insight into the Amidohydrolase Enzymes of cog3618 and Lignin Degradation. Biochemistry, 51, 2012
4DNQ	Crystal Structure of DAD2 S96A mutant 分子名称: DAD2 著者 Hamiaux, C. 登録日 2012-02-08 公開日 2012-11-14 最終更新日 2013-06-26 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 DAD2 Is an alpha/beta Hydrolase likely to Be Involved in the Perception of the Plant Branching Hormone, Strigolactone Curr.Biol., 22, 2012
4E7W	Structure of GSK3 from Ustilago maydis 分子名称: Glycogen Synthase Kinase 3 著者 Gruetter, C, Rauh, D. 登録日 2012-03-19 公開日 2012-05-16 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Targeting GSK3 from Ustilago maydis: Type-II Kinase Inhibitors as Potential Antifungals. Acs Chem.Biol., 7, 2012
4EGA	Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1320 分子名称: 2-({3-[(3,5-dibromo-2-methoxybenzyl)amino]propyl}amino)quinolin-4(1H)-one, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. 登録日 2012-03-30 公開日 2012-09-12 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.698 Å) 主引用文献 Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection. Structure, 20, 2012
4EGQ	Crystal structure of D-alanine-D-alanine ligase B from Burkholderia pseudomallei 分子名称: D-alanine--D-alanine ligase 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2012-03-31 公開日 2012-04-11 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal structure of D-alanine-D-alanine ligase B from Burkholderia pseudomallei To be Published
4E51	Crystal structure of a histidyl-tRNA synthetase HisRS from Burkholderia thailandensis bound to histidine 分子名称: HISTIDINE, Histidine--tRNA ligase 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2012-03-13 公開日 2012-03-28 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Ligand co-crystallization of aminoacyl-tRNA synthetases from infectious disease organisms. Sci Rep, 7, 2017
4EG4	Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1289 分子名称: 2-({3-[(3,5-dibromo-2-ethoxybenzyl)amino]propyl}amino)quinolin-4(1H)-one, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. 登録日 2012-03-30 公開日 2012-09-12 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (3.151 Å) 主引用文献 Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection. Structure, 20, 2012
6VE5	X-ray structure of human REV7 in complex with Shieldin3 (residues 41-74) 分子名称: Mitotic spindle assembly checkpoint protein MAD2B, SULFATE ION, Shieldin complex subunit 3 著者 Cui, G, Botuyan, M.V, Mer, G. 登録日 2019-12-28 公開日 2021-01-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Cryo-EM reveals conformational flexibility in apo DNA polymerase zeta. J.Biol.Chem., 297, 2021
2Y8O	Crystal structure of human p38alpha complexed with a MAPK docking peptide 分子名称: DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 6, MITOGEN-ACTIVATED PROTEIN KINASE 14 著者 Barkai, T, Garai, A, Toeroe, I, Remenyi, A. 登録日 2011-02-08 公開日 2012-02-22 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Specificity of Linear Motifs that Bind to a Common Mitogen-Activated Protein Kinase Docking Groove. Sci. Signal, 5, 2012
6W3F	Rd1NTF2_05_I64F_A80G_T94P_D101K_L106W 分子名称: Rd1NTF2_05_I64F_A80G_T94P_D101K_L106W 著者 Bick, M.J, Basanta, B, Sankaran, B, Baker, D. 登録日 2020-03-09 公開日 2020-04-15 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 An enumerative algorithm for de novo design of proteins with diverse pocket structures. Proc.Natl.Acad.Sci.USA, 117, 2020
3B8N	Structure of FepE- Bacterial Polysaccharide Co-polymerase 分子名称: Ferric enterobactin (Enterochelin) transport 著者 Tocilj, A, Matte, A, Cygler, M. 登録日 2007-11-01 公開日 2008-01-22 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Bacterial polysaccharide co-polymerases share a common framework for control of polymer length Nat.Struct.Mol.Biol., 15, 2008
3BJE	Crystal structure of Trypanosoma brucei nucleoside phosphorylase shows uridine phosphorylase activity 分子名称: 1-O-phosphono-alpha-D-ribofuranose, CALCIUM ION, Nucleoside phosphorylase, ... 著者 Larson, E.T, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP) 登録日 2007-12-03 公開日 2007-12-18 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 The Crystal Structure and Activity of a Putative Trypanosomal Nucleoside Phosphorylase Reveal It to be a Homodimeric Uridine Phosphorylase J.Mol.Biol., 396, 2010
6WM1	Crystal structure of the Grb2 SH2 domain in complex with a tripeptide: Ac-pY-Ac6c-N-phenylpropyl 分子名称: ACE-PTR-02K-ASN-PRA, CALCIUM ION, CHLORIDE ION, ... 著者 Martin, S.F, Clements, J.H. 登録日 2020-04-20 公開日 2020-09-02 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Some thermodynamic effects of varying nonpolar surfaces in protein-ligand interactions. Eur.J.Med.Chem., 208, 2020
2ZDT	Crystal Structure of human JNK3 complexed with an isoquinolone inhibitor 分子名称: 4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2(1H)-yl)methyl]benzoic acid, GLYCEROL, Mitogen-activated protein kinase 10 著者 Sogabe, S, Asano, Y, Fukumoto, S, Habuka, N, Fujishima, A. 登録日 2007-11-27 公開日 2008-09-23 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Discovery, synthesis and biological evaluation of isoquinolones as novel and highly selective JNK inhibitors (2) Bioorg.Med.Chem., 16, 2008
3AL3	Crystal Structure of TopBP1 BRCT7/8-BACH1 peptide complex 分子名称: DNA topoisomerase 2-binding protein 1, FORMIC ACID, Peptide of Fanconi anemia group J protein 著者 Leung, C.C, Glover, J.N. 登録日 2010-07-22 公開日 2010-12-01 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Molecular basis of BACH1/FANCJ recognition by TopBP1 in DNA replication checkpoint control J.Biol.Chem., 286, 2011
3G90	JNK-3 bound to (Z)-5-fluoro-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)indolin-2-one 分子名称: (3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime, Mitogen-activated protein kinase 10 著者 Xie, X, Jacobs, M.D. 登録日 2009-02-12 公開日 2009-02-24 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
6WS5	Rational drug design of phenazopyridine derivatives as novel inhibitors of Rev1-CT 分子名称: 3-[(Z)-(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine, DNA polymerase zeta catalytic subunit, DNA repair protein REV1, ... 著者 McPherson, K.S, Korzhnev, D.M. 登録日 2020-04-30 公開日 2020-12-23 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.472 Å) 主引用文献 Structure-Based Drug Design of Phenazopyridine Derivatives as Inhibitors of Rev1 Interactions in Translesion Synthesis. Chemmedchem, 16, 2021
3AST	Crystal structure of P domain Q389N mutant from Norovirus Funabashi258 stain in the complex with Lewis-b 分子名称: Capsid protein, P-NITROPHENOL, SODIUM ION, ... 著者 Kubota, T, Kumagai, A, Itoh, H, Furukawa, S, Narimatsu, H, Wakita, T, Ishii, K, Takeda, N, Someya, Y, Shirato, H. 登録日 2010-12-17 公開日 2012-01-25 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Structural basis for the recognition of Lewis antigens by genogroup I norovirus J.Virol., 86, 2012
6W3D	Rd1NTF2_05 with long sheet 分子名称: Rd1NTF2_05 著者 Bick, M.J, Basanta, B, Sankaran, B, Baker, D. 登録日 2020-03-09 公開日 2020-04-15 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.38 Å) 主引用文献 An enumerative algorithm for de novo design of proteins with diverse pocket structures. Proc.Natl.Acad.Sci.USA, 117, 2020
6W3G	Rd1NTF2_04 with long sheet 分子名称: Rd1NTF2_04 著者 Bick, M.J, Basanta, B, Sankaran, B, Baker, D. 登録日 2020-03-09 公開日 2020-04-15 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 An enumerative algorithm for de novo design of proteins with diverse pocket structures. Proc.Natl.Acad.Sci.USA, 117, 2020
6WS0	Rational drug design of phenazopyridine derivatives as novel inhibitors of Rev1-CT 分子名称: DNA polymerase zeta catalytic subunit, DNA repair protein REV1, Mitotic spindle assembly checkpoint protein MAD2B 著者 McPherson, K.S, Korzhnev, D.M. 登録日 2020-04-30 公開日 2020-12-23 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 Structure-Based Drug Design of Phenazopyridine Derivatives as Inhibitors of Rev1 Interactions in Translesion Synthesis. Chemmedchem, 16, 2021

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