PDB: 224004 件ウェブページステータス検索Chemie searchBIRD

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6V90	Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 12 分子名称: (2R)-2-{[2-(4-cyanophenyl)ethyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide, CHLORIDE ION, Histone acetyltransferase p300, ... 著者 Gardberg, A.S. 登録日 2019-12-12 公開日 2020-04-01 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.04 Å) 主引用文献 Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors. Chemmedchem, 15, 2020
6V9U	Crystal structure of human TLR8 ectodomain bound to small molecule antagonist 14c 分子名称: 2-(3,4-dimethoxyphenyl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1H-indole, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Critton, D.A. 登録日 2019-12-16 公開日 2020-08-12 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Discovery of Potent and Orally Bioavailable Small Molecule Antagonists of Toll-like Receptors 7/8/9 (TLR7/8/9). Acs Med.Chem.Lett., 11, 2020
7SML	Crystal Structure of L-GALACTONO-1,4-LACTONE DEHYDROGENASE de Myrciaria dubia 分子名称: L-GALACTONO-1,4-LACTONE DEHYDROGENASE 著者 Santillan, J.A.V, Cabrejos, D.A.L, Pereira, H.M, Gomez, J.C.C, Garratt, R.C. 登録日 2021-10-26 公開日 2022-11-02 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural insights into the Smirnoff-Wheeler pathway for vitamin C production in the Amazon fruit Camu-Camu. J.Exp.Bot., 2024
6P60	Vaccine-elicited NHP FP-targeting neutralizing antibody A12V163-a.02 in complex with HIV fusion peptide (residue 512-519) 分子名称: Antibody A12V163-a.02 heavy chain, Antibody A12V163-a.02 light chain, HIV fusion peptide residue 512-519 著者 Xu, K, Liu, K, Kwong, P.D. 登録日 2019-05-31 公開日 2020-06-03 実験手法 X-RAY DIFFRACTION (2.498 Å) 主引用文献 Vaccine-elicited NHP FP-targeting neutralizing antibody A12V163-a.02 in complex with HIV fusion peptide (residue 512-519) To Be Published
6YL4	Soluble epoxide hydrolase in complex with 3-((R)-3-(1-hydroxyureido)but-1-yn-1-yl)-N-((S)-3-phenyl-3-(4-trifluoromethoxy)phenyl)propyl)benzamide 分子名称: 3-[(3~{R})-3-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-~{N}-[(3~{S})-3-phenyl-3-[4-(trifluoromethyloxy)phenyl]propyl]benzamide, Bifunctional epoxide hydrolase 2 著者 Kramer, J.S, Pogoryelov, D, Hiesinger, K, Proschak, E. 登録日 2020-04-06 公開日 2020-10-21 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.001 Å) 主引用文献 Design, Synthesis, and Structure-Activity Relationship Studies of Dual Inhibitors of Soluble Epoxide Hydrolase and 5-Lipoxygenase. J.Med.Chem., 63, 2020
6YPJ	Crystal Structure of CK2alpha with Compound 1 bound 分子名称: 4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid, ACETATE ION, Casein kinase II subunit alpha 著者 Brear, P, Hyvonen, M. 登録日 2020-04-16 公開日 2020-07-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha. J.Med.Chem., 63, 2020
6POP	Crystal structure of DauA in complex with NADP+ 分子名称: 1,2-ETHANEDIOL, Aldehyde dehydrogenase, MAGNESIUM ION, ... 著者 Pluvinage, B, Boraston, A.B. 登録日 2019-07-04 公開日 2019-10-02 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.147 Å) 主引用文献 Insights into the kappa / iota-carrageenan metabolism pathway of some marinePseudoalteromonasspecies. Commun Biol, 2, 2019
6PA3	E. coli L-asparaginase II double mutant (T89V,K162T) in complex with L-Asn at pH 7.0 分子名称: ASPARAGINE, IMIDAZOLE, L-asparaginase 2, ... 著者 Lubkowski, J, Wlodawer, A. 登録日 2019-06-11 公開日 2019-09-04 最終更新日 2020-08-19 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Geometric considerations support the double-displacement catalytic mechanism of l-asparaginase. Protein Sci., 28, 2019
7O15	ABC transporter NosDFY, nucleotide-free in lipid nanodisc, R-domain 2 分子名称: MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ... 著者 Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. 登録日 2021-03-28 公開日 2022-04-13 最終更新日 2024-07-10 実験手法 ELECTRON MICROSCOPY 主引用文献 Molecular interplay of an assembly machinery for nitrous oxide reductase. Nature, 608, 2022
7O16	ABC transporter NosDFY, nucleotide-free in lipid nanodisc, R-domain 3 分子名称: MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ... 著者 Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. 登録日 2021-03-28 公開日 2022-04-13 最終更新日 2024-07-10 実験手法 ELECTRON MICROSCOPY 主引用文献 Molecular interplay of an assembly machinery for nitrous oxide reductase. Nature, 608, 2022
7O12	ABC transporter NosDFY, AMPPNP-bound in GDN 分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Probable ABC transporter ATP-binding protein NosF, ... 著者 Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. 登録日 2021-03-28 公開日 2022-04-13 最終更新日 2024-07-10 実験手法 ELECTRON MICROSCOPY (3.7 Å) 主引用文献 Molecular interplay of an assembly machinery for nitrous oxide reductase. Nature, 608, 2022
6YJ3	Metala-Carborane di-propyl-sulfonamide 分子名称: Carbonic anhydrase 2, Metala-Carborane di-propyl-sulfonamide, ZINC ION 著者 Brynda, J, Rezacova, P, Pospisilova, K, Kugler, M. 登録日 2020-04-02 公開日 2020-09-09 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Cobalt Bis(dicarbollide) Alkylsulfonamides: Potent and Highly Selective Inhibitors of Tumor Specific Carbonic Anhydrase IX. Chempluschem, 86, 2021
7O10	ABC transporter NosDFY, nucleotide-free in GDN, R-domain 2 分子名称: MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ... 著者 Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. 登録日 2021-03-28 公開日 2022-04-13 最終更新日 2024-07-10 実験手法 ELECTRON MICROSCOPY (3.6 Å) 主引用文献 Molecular interplay of an assembly machinery for nitrous oxide reductase. Nature, 608, 2022
7O11	ABC transporter NosDFY, nucleotide-free in GDN, R-domain 1 分子名称: MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ... 著者 Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. 登録日 2021-03-28 公開日 2022-04-13 最終更新日 2024-07-10 実験手法 ELECTRON MICROSCOPY (3.7 Å) 主引用文献 Molecular interplay of an assembly machinery for nitrous oxide reductase. Nature, 608, 2022
2MBM	Solution NMR Structure of De novo designed Top7 Fold Protein Top7m13, Northeast Structural Genomics Consortium (NESG) Target OR33 分子名称: Top7 Fold Protein Top7m13 著者 Liu, G, Zanghellini, A.L, Chan, K, Xiao, R, Janjua, H, Kogan, S, Maglaqui, M, Ciccosanti, C, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) 登録日 2013-08-02 公開日 2013-11-13 最終更新日 2023-06-14 実験手法 SOLUTION NMR 主引用文献 Solution NMR Structure of De novo designed Top7 Fold Protein Top7m13, Northeast Structural Genomics Consortium (NESG) Target OR33 To be Published
6Y14	Bicyclic peptide bp65 crystallized as racemic mixture at 0.9 Angstrom resolution 分子名称: CITRIC ACID, bp65 著者 Baeriswyl, S, Stocker, A, Reymond, J.-L. 登録日 2020-02-11 公開日 2021-02-17 最終更新日 2023-02-01 実験手法 X-RAY DIFFRACTION (0.9 Å) 主引用文献 A mixed chirality alpha-helix in a stapled bicyclic and a linear antimicrobial peptide revealed by X-ray crystallography. Rsc Chem Biol, 2, 2021
6PA8	ECAII(T89V,K162T) MUTANT IN COMPLEX WITH L-ASN AT PH 7.0 分子名称: ASPARAGINE, CITRATE ANION, GLYCEROL, ... 著者 Lubkowski, J, Wlodawer, A. 登録日 2019-06-11 公開日 2019-09-04 最終更新日 2019-10-02 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Geometric considerations support the double-displacement catalytic mechanism of l-asparaginase. Protein Sci., 28, 2019
6PK6	Human PRPF4B bound to benzothiophene inhibitor 329 分子名称: 4-(5-{[(2-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog 著者 Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) 登録日 2019-06-28 公開日 2019-08-28 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 to be published To Be Published
6Y1S	Bicyclic peptide bp70 in I4132 at 1.0 Angstrom resolution 分子名称: bp70 著者 Baeriswyl, S, Stocker, A, Reymond, J.-L. 登録日 2020-02-13 公開日 2021-03-03 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.04 Å) 主引用文献 A mixed chirality alpha-helix in a stapled bicyclic and a linear antimicrobial peptide revealed by X-ray crystallography. Rsc Chem Biol, 2, 2021
6P05	Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with compound 27 分子名称: Bromodomain-containing protein 4, GLYCEROL, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide 著者 Ratia, K.M, Xiong, R, Li, Y, Zhao, J, Gutgesell, L.M, Shen, Z, Dye, K, Dubrovyskyii, O, Zhao, H, Huang, F, Tonetti, D.A, Thatcher, G.R. 登録日 2019-05-16 公開日 2020-05-20 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Novel Pyrrolopyridone Bromodomain and Extra-Terminal Motif (BET) Inhibitors Effective in Endocrine-Resistant ER+ Breast Cancer with Acquired Resistance to Fulvestrant and Palbociclib. J.Med.Chem., 63, 2020
6PHV	SpAga galactose product complex structure 分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-galactosidase, ... 著者 Pluvinage, B, Boraston, A.B. 登録日 2019-06-25 公開日 2019-10-02 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Molecular analysis of an enigmaticStreptococcus pneumoniaevirulence factor: The raffinose-family oligosaccharide utilization system. J.Biol.Chem., 294, 2019
7ODE	E. coli 50S ribosome LiCl core particle 分子名称: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... 著者 Larsson, D.S.D, Selmer, M. 登録日 2021-04-29 公開日 2022-06-01 最終更新日 2024-07-10 実験手法 ELECTRON MICROSCOPY (2.84 Å) 主引用文献 Structural Consequences of Deproteinating the 50S Ribosome. Biomolecules, 12, 2022
6P1A	Transcription antitermination factor Q21 in complex with Q21-binding-element DNA 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*TP*TP*GP*CP*TP*CP*AP*TP*TP*TP*GP*CP*TP*CP*AP*AP*TP*GP*AP*G)-3'), ... 著者 Yin, Z, Ebright, R.H. 登録日 2019-05-19 公開日 2019-06-26 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.837 Å) 主引用文献 Structural basis of Q-dependent antitermination. Proc.Natl.Acad.Sci.USA, 116, 2019
6Y6R	Crystal structure of MINDY1 T335D mutant 分子名称: Ubiquitin carboxyl-terminal hydrolase MINDY-1 著者 Abdul Rehman, S.A, Kulathu, Y. 登録日 2020-02-27 公開日 2021-03-31 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (3.32 Å) 主引用文献 Mechanism of activation and regulation of deubiquitinase activity in MINDY1 and MINDY2. Mol.Cell, 81, 2021
6Y99	hSTING mutant R232K in complex with 2',3'-cGAMP 分子名称: Stimulator of interferon genes protein, cGAMP 著者 Boura, E, Smola, M. 登録日 2020-03-06 公開日 2021-03-31 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.984 Å) 主引用文献 Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein. Angew.Chem.Int.Ed.Engl., 60, 2021

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