PDB: 73050 件ウェブページステータス検索Chemie searchBIRD

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4EPQ	canonical poly(ADP-ribose) glycohydrolase RBPI inhibitor complex from Tetrahymena thermophila 分子名称: 3-{(5Z)-5-[5-chloro-1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid, Poly(ADP-ribose) glycohydrolase 著者 Dunstan, M.S, Leys, D. 登録日 2012-04-17 公開日 2012-06-13 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.399 Å) 主引用文献 Structure and mechanism of a canonical poly(ADP-ribose) glycohydrolase. Nat Commun, 3, 2012
4JWR	Co-crystal structure of MDM2 with inhibitor {(2S,5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]-3-oxomorpholin-2-yl}acetic acid 分子名称: E3 ubiquitin-protein ligase Mdm2, {(2S,5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]-3-oxomorpholin-2-yl}acetic acid 著者 Shaffer, P.L. 登録日 2013-03-27 公開日 2013-05-01 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors. J.Med.Chem., 56, 2013
3O80	Crystal structure of monomeric KlHxk1 in crystal form IX (open state) 分子名称: Hexokinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER 著者 Kuettner, E.B, Kettner, K, Keim, A, Kriegel, T.M, Strater, N. 登録日 2010-08-02 公開日 2010-10-13 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis: A MOLECULAR BASIS FOR UNDERSTANDING THE CONTROL OF YEAST HEXOKINASE FUNCTIONS VIA COVALENT MODIFICATION AND OLIGOMERIZATION. J.Biol.Chem., 285, 2010
3O72	Crystal structure of EfeB in complex with heme 分子名称: OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, Redox component of a tripartite ferrous iron transporter 著者 Liu, X, Du, Q, Wang, Z, Zhu, D, Huang, Y, Li, N, Xu, S, Gu, L. 登録日 2010-07-30 公開日 2011-03-16 最終更新日 2017-11-08 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Crystal structure and biochemical features of EfeB/YcdB from Escherichia coli O157: ASP235 plays divergent roles in different enzyme-catalyzed processes J.Biol.Chem., 286, 2011
3QQ7	Crystal Structure of the p97 N-terminal domain 分子名称: CHLORIDE ION, COBALT (II) ION, GLYCEROL, ... 著者 Haenzelmann, P, Schindelin, H. 登録日 2011-02-15 公開日 2011-06-22 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Hierarchical Binding of Cofactors to the AAA ATPase p97. Structure, 19, 2011
4FDD	Crystal structure of KAP beta2-PY-NLS 分子名称: RNA-binding protein FUS, Transportin-1 著者 Zhang, Z.C, Chook, Y.M. 登録日 2012-05-28 公開日 2012-07-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural and energetic basis of ALS-causing mutations in the atypical proline-tyrosine nuclear localization signal of the Fused in Sarcoma protein (FUS). Proc.Natl.Acad.Sci.USA, 109, 2012
4FMJ	Merkel cell polyomavirus VP1 in complex with GD1a oligosaccharide 分子名称: CHLORIDE ION, GLYCEROL, N-acetyl-alpha-neuraminic acid, ... 著者 Neu, U, Hengel, H, Stehle, T. 登録日 2012-06-17 公開日 2012-09-05 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structures of Merkel Cell Polyomavirus VP1 Complexes Define a Sialic Acid Binding Site Required for Infection. Plos Pathog., 8, 2012
3U6S	MutM set 1 TpG 分子名称: DNA (5'-D(*A*GP*GP*TP*AP*GP*AP*TP*CP*CP*AP*GP*AP*CP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*GP*TP*CP*TP*GP*GP*AP*(08Q)P*CP*TP*AP*CP*C)-3'), Formamidopyrimidine-DNA glycosylase, ... 著者 Sung, R.J, Zhang, M, Qi, Y, Verdine, G.L. 登録日 2011-10-12 公開日 2012-04-25 最終更新日 2013-09-25 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 Sequence-dependent structural variation in DNA undergoing intrahelical inspection by the DNA glycosylase MutM. J.Biol.Chem., 287, 2012
3U80	1.60 Angstrom Resolution Crystal Structure of a 3-Dehydroquinate Dehydratase-like Protein from Bifidobacterium longum 分子名称: 3-dehydroquinate dehydratase, type II 著者 Light, S.H, Minasov, G, Shuvalova, L, Papazisi, L, Lavie, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2011-10-14 公開日 2011-10-26 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal structure of a type II dehydroquinate dehydratase-like protein from Bifidobacterium longum. J.Struct.Funct.Genom., 14, 2013
4LFT	Structure of alpha-elapitoxin-Dpp2d isolated from Black Mamba (Dendroaspis polylepis) venom 分子名称: Alpha-elapitoxin-Dpp2a 著者 Wang, C.I.A, Reeks, T, Lewis, R.J, Alewood, P.F, Durek, T. 登録日 2013-06-27 公開日 2014-06-11 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Isolation and Structural and Pharmacological Characterization of alpha-Elapitoxin-Dpp2d, an Amidated Three Finger Toxin from Black Mamba Venom. Biochemistry, 53, 2014
3QUX	Structure of the mouse CD1d-alpha-C-GalCer-iNKT TCR complex 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... 著者 Li, Y, Girardi, E, Yu, E.D, Zajonc, D.M. 登録日 2011-02-24 公開日 2011-06-29 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.91 Å) 主引用文献 Galactose-modified iNKT cell agonists stabilized by an induced fit of CD1d prevent tumour metastasis. Embo J., 30, 2011
4L6A	Structure of human mitochondrial 5'(3')-deoxyribonucleotidase 分子名称: 5'(3')-deoxyribonucleotidase, mitochondrial, DI(HYDROXYETHYL)ETHER, ... 著者 Pachl, P, Brynda, J, Rezacova, P. 登録日 2013-06-12 公開日 2014-02-12 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Structures of human cytosolic and mitochondrial nucleotidases: implications for structure-based design of selective inhibitors. Acta Crystallogr. D Biol. Crystallogr., 70, 2014
3U6D	MutM set 1 GpGo 分子名称: DNA (5'-D(*A*GP*GP*TP*AP*GP*AP*TP*CP*CP*CP*GP*AP*CP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*GP*TP*CP*GP*(8OG)P*GP*AP*(TX)P*CP*TP*AP*CP*C)-3'), Formamidopyrimidine-DNA glycosylase, ... 著者 Sung, R.J, Zhang, M, Qi, Y, Verdine, G.L. 登録日 2011-10-12 公開日 2012-04-25 最終更新日 2013-09-25 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Sequence-dependent structural variation in DNA undergoing intrahelical inspection by the DNA glycosylase MutM. J.Biol.Chem., 287, 2012
4HBV	Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolin ligand 分子名称: 1,2-ETHANEDIOL, 6-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one, Bromodomain-containing protein 4 著者 Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Fish, P.V, Bunnage, M.E, Cook, A.S, Owen, D.R, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2012-09-28 公開日 2012-10-31 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit. J.Med.Chem., 55, 2012
4HBY	Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolin ligand 分子名称: 1,2-ETHANEDIOL, 3-methyl-2-oxo-N-phenyl-1,2,3,4-tetrahydroquinazoline-6-sulfonamide, Bromodomain-containing protein 4 著者 Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Fish, P.V, Bunnage, M.E, Cook, A.S, Owen, D.R, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2012-09-28 公開日 2012-10-31 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit. J.Med.Chem., 55, 2012
3OWN	Potent macrocyclic renin inhibitors 分子名称: (2S,4S)-4-hydroxy-2-(1-methylethyl)-4-[(4R,13S)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-N-(2-methylpropyl)butanamide, (2S,4S)-4-hydroxy-2-(1-methylethyl)-4-[(4S,13S)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-N-(2-methylpropyl)butanamide, ACETATE ION, ... 著者 Borkakoti, N, Derbyshire, D. 登録日 2010-09-20 公開日 2010-12-15 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Design and synthesis of potent macrocyclic renin inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
4GUS	Crystal structure of LSD2-NPAC with H3 in space group P3221 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Histone H3.3, ... 著者 Chen, F, Dong, Z, Fang, J, Yang, Y, Li, Z, Xu, Y, Yang, H, Wang, P, Fang, R, Shi, Y, Xu, Y. 登録日 2012-08-29 公開日 2013-01-16 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 LSD2/KDM1B and its cofactor NPAC/GLYR1 endow a structural and molecular model for regulation of H3K4 demethylation Mol.Cell, 49, 2013
3P9K	Crystal structure of perennial ryegrass LpOMT1 complexed with S-adenosyl-L-homocysteine and coniferaldehyde 分子名称: (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal, Caffeic acid O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE 著者 Louie, G.V, Noel, J.P, Bowman, M.E. 登録日 2010-10-17 公開日 2011-01-12 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Structure-Function Analyses of a Caffeic Acid O-Methyltransferase from Perennial Ryegrass Reveal the Molecular Basis for Substrate Preference. Plant Cell, 22, 2010
4JPE	Spirocyclic Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors 分子名称: (4R)-2-amino-1,3',3'-trimethyl-7'-(pyrimidin-5-yl)-3',4'-dihydro-2'H-spiro[imidazole-4,1'-naphthalen]-5(1H)-one, Beta-secretase 1, NICKEL (II) ION 著者 Vigers, G.P.A, Smith, D. 登録日 2013-03-19 公開日 2013-04-10 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Spirocyclic beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors: from hit to lowering of cerebrospinal fluid (CSF) amyloid beta in a higher species. J.Med.Chem., 56, 2013
4KVX	Crystal structure of Naa10 (Ard1) bound to AcCoA 分子名称: ACETYL COENZYME *A, N-terminal acetyltransferase A complex catalytic subunit ard1 著者 Liszczak, G.P, Marmorstein, R.Q. 登録日 2013-05-23 公開日 2013-07-31 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Molecular basis for N-terminal acetylation by the heterodimeric NatA complex. Nat.Struct.Mol.Biol., 20, 2013
4FK6	JAK1 kinase (JH1 domain) in complex with compound 72 分子名称: N-({1-[(1R,2R,4S)-bicyclo[2.2.1]hept-2-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl}methyl)methanesulfonamide, Tyrosine-protein kinase JAK1 著者 Eigenbrot, C, Steffek, M. 登録日 2012-06-12 公開日 2012-11-07 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structure-based discovery of C-2 substituted imidazo-pyrrolopyridine JAK1 inhibitors with improved selectivity over JAK2. Bioorg.Med.Chem.Lett., 22, 2012
4KXT	Structure of human ARGONAUTE1 in complex with guide RNA 分子名称: Protein argonaute-1, RNA 著者 Nakanishi, K, Patel, D.J. 登録日 2013-05-28 公開日 2013-07-31 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.294 Å) 主引用文献 Eukaryote-Specific Insertion Elements Control Human ARGONAUTE Slicer Activity. Cell Rep, 3, 2013
3PJI	Crystal structure of AgamOBP22a at 1.7 angstrom in the open status for ligand binding. 分子名称: AMMONIUM ION, Odorant binding protein (AGAP010409-PA) 著者 Zhang, S, Ren, H. 登録日 2010-11-10 公開日 2012-01-11 最終更新日 2018-03-07 実験手法 X-RAY DIFFRACTION (1.704 Å) 主引用文献 Crystal Structures of Anopheles gambiae Odorant-binding Protein AgamOBP22a and Complexes with Bound Odorants To be Published
4L0L	Crystal structure of P.aeruginosa PBP3 in complex with compound 4 分子名称: (6R,7S,10Z)-10-(2-amino-1,3-thiazol-4-yl)-1-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-7-formyl-13,13-dimethyl-3,9-dioxo-6-(sulfoamino)-12-oxa-2,4,8,11-tetraazatetradec-10-en-14-oic acid, Penicillin-binding protein 3 著者 Han, S, Marr, E.S. 登録日 2013-05-31 公開日 2013-08-21 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Pyridone-conjugated monobactam antibiotics with gram-negative activity. J.Med.Chem., 56, 2013
4L1G	Crystal structure of the Bc1960 peptidoglycan N-acetylglucosamine deacetylase from Bacillus cereus 分子名称: ACETATE ION, Peptidoglycan N-acetylglucosamine deacetylase, SULFATE ION 著者 Tsalafouta, A, Fadouloglou, V.E, Kokkinidis, M. 登録日 2013-06-03 公開日 2014-06-04 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (2.336 Å) 主引用文献 Unusual alpha-Carbon Hydroxylation of Proline Promotes Active-Site Maturation. J.Am.Chem.Soc., 139, 2017

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