PDB: 47120 件ウェブページステータス検索Chemie searchBIRD

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7PGC	Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2191 分子名称: Inhibitor MI-2191, Serine protease NS3, Serine protease subunit NS2B 著者 Huber, S, Heine, A, Steinmetzer, T. 登録日 2021-08-13 公開日 2022-08-24 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors. J.Med.Chem., 65, 2022
7PXK	X-ray structure of LPMO at 1.39x10^5 Gy 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, COPPER (II) ION 著者 Tandrup, T, Lo Leggio, L. 登録日 2021-10-08 公開日 2022-08-24 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding. Iucrj, 9, 2022
5L9V	HIF prolyl hydroxylase 2 (PHD2-R281C/P317C) cross-linked to HIF-1alpha NODD-L397C/D412C and N-oxalylglycine (NOG) (complex-1) 分子名称: Egl nine homolog 1, Hypoxia-inducible factor 1-alpha, MANGANESE (II) ION, ... 著者 Chowdhury, R, Schofield, C.J. 登録日 2016-06-11 公開日 2016-08-31 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.829 Å) 主引用文献 Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases. Nat Commun, 7, 2016
8OXF	Enantioselective synthesis of fluorine-containing building blocks by employing mutant HHDH in a two-phase system 分子名称: CHLORIDE ION, Halohydrin dehalogenase 著者 Majeric Elenkov, M, Stefanic, Z. 登録日 2023-05-02 公開日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 Enantioselective synthesis of fluorine-containing building blocks by employing mutant HHDH in a two-phase system To Be Published
7T0O	cryoEM reconstruction of the HIV gp140 in complex with the extracellular domains of CD4 and the adnectin domain of Combinectin. The gp140 and CD4 coordinates from entry 6EDU were rigid body fitted to the EM map along withe the crystal structure of CD4+adnectin 分子名称: Adnectin, BG505 SOSIP.664 gp140, T-cell surface glycoprotein CD4 著者 Concha, N.O, William, S.P, Wenzel, D.L. 登録日 2021-11-30 公開日 2022-01-12 実験手法 ELECTRON MICROSCOPY (8.7 Å) 主引用文献 Novel Bent Conformation of CD4 Induced by HIV-1 Inhibitor Indirectly Prevents Productive Viral Attachment. J.Mol.Biol., 434, 2021
3IAP	E. coli (lacZ) beta-galactosidase (E416Q) 分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-galactosidase, DIMETHYL SULFOXIDE, ... 著者 Lo, S, Dugdale, M.L, Jeerh, N, Ku, T, Roth, N.J, Huber, R.E. 登録日 2009-07-14 公開日 2009-12-29 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Studies of Glu-416 variants of beta-galactosidase (E. coli) show that the active site Mg(2+) is not important for structure and indicate that the main role of Mg (2+) is to mediate optimization of active site chemistry Protein J., 29, 2010
7PXU	LsAA9_A chemically reduced with ascorbic acid (low X-ray dose) 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ... 著者 Tandrup, T, Muderspach, S.J, Banerjee, S, Ipsen, J, Johansen, K.S, Lo Leggio, L. 登録日 2021-10-08 公開日 2022-08-24 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding. Iucrj, 9, 2022
7SVR	The complex of dephosphorylated human cystic fibrosis transmembrane conductance regulator (CFTR) and Lumacaftor (VX-809) 分子名称: Cystic fibrosis transmembrane conductance regulator, Lumacaftor 著者 Fiedorczuk, K, Chen, J. 登録日 2021-11-19 公開日 2022-01-12 最終更新日 2024-02-28 実験手法 ELECTRON MICROSCOPY (3.9 Å) 主引用文献 Mechanism of CFTR correction by type I folding correctors. Cell, 185, 2022
7AX9	Crystal structure of the hPXR-LBD in complex with cis-chlordane 分子名称: (+)cis-chlordane, GLYCEROL, ISOPROPYL ALCOHOL, ... 著者 Granell, M, Delfosse, V, Bourguet, W. 登録日 2020-11-09 公開日 2021-01-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures. Proc.Natl.Acad.Sci.USA, 118, 2021
7JTY	Co-crystal structure of alpha glucosidase with compound 1 分子名称: (1S,2S,3R,4S,5S)-5-(butylamino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, Alpha glucosidase 2 alpha neutral subunit, ... 著者 Karade, S.S, Mariuzza, R.A. 登録日 2020-08-18 公開日 2021-10-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum alpha-Glucosidases I and II with Antiviral Activity. J.Med.Chem., 64, 2021
7SUD	CryoEM structure of DNA-PK complex VIII 分子名称: ADENOSINE-5'-TRIPHOSPHATE, DNA-dependent protein kinase catalytic subunit, MAGNESIUM ION, ... 著者 Chen, X, Liu, L, Gellert, M, Yang, W. 登録日 2021-11-16 公開日 2022-01-12 最終更新日 2022-01-19 実験手法 ELECTRON MICROSCOPY (3.6 Å) 主引用文献 Autophosphorylation transforms DNA-PK from protecting to processing DNA ends. Mol.Cell, 82, 2022
5LAS	HIF prolyl hydroxylase 2 (PHD2-R281C/P317C/R396T) cross-linked to HIF-1alpha NODD-L397C/D412C and N-oxalylglycine (NOG) (complex-3) 分子名称: Egl nine homolog 1, Hypoxia-inducible factor 1-alpha, MANGANESE (II) ION, ... 著者 Chowdhury, R, Schofield, C.J. 登録日 2016-06-14 公開日 2016-08-31 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases. Nat Commun, 7, 2016
2MHZ	Structure of Exocyclic S,S N6,N6-(2,3-Dihydroxy-1,4-butadiyl)-2'-Deoxyadenosine Adduct Induced by 1,2,3,4-Diepoxybutane in DNA 分子名称: 5'-D(*CP*GP*GP*AP*CP*(SDE)P*AP*GP*AP*AP*G)-3', 5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3' 著者 Kowal, E.A, Seneviratne, U, Wickramaratne, S, Doherty, K.E, Cao, X, Tretyakova, N, Stone, M.P. 登録日 2013-12-05 公開日 2014-05-28 最終更新日 2024-05-01 実験手法 SOLUTION NMR 主引用文献 Structures of Exocyclic R,R- and S,S-N(6),N(6)-(2,3-Dihydroxybutan-1,4-diyl)-2'-Deoxyadenosine Adducts Induced by 1,2,3,4-Diepoxybutane. Chem.Res.Toxicol., 27, 2014
7PXT	Structure of an LPMO, collected from serial synchrotron crystallography data. 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, COPPER (II) ION 著者 Tandrup, T, Santoni, G, Lo Leggio, L. 登録日 2021-10-08 公開日 2022-08-24 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding. Iucrj, 9, 2022
7K59	Structure of apo VCP hexamer generated from bacterially recombinant VCP/p97 分子名称: Transitional endoplasmic reticulum ATPase 著者 Yu, G, Bai, Y, Li, K, Jiang, W, Zhang, Z.Y. 登録日 2020-09-16 公開日 2021-10-13 最終更新日 2024-05-29 実験手法 ELECTRON MICROSCOPY (4.2 Å) 主引用文献 Cryo-electron microscopy structures of VCP/p97 reveal a new mechanism of oligomerization regulation. Iscience, 24, 2021
2HMJ	Crystal Structure of the Naphthalene 1,2-Dioxygenase Phe-352-Val Mutant. 分子名称: 1,2-ETHANEDIOL, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ... 著者 Ferraro, D.J, Okerlund, A.L, Mowers, J.C, Ramaswamy, S. 登録日 2006-07-11 公開日 2006-10-10 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structural basis for regioselectivity and stereoselectivity of product formation by naphthalene 1,2-dioxygenase. J.Bacteriol., 188, 2006
5KLM	Crystal structure of 2-hydroxymuconate-6-semialdehyde derived intermediate in NAD(+)-bound 2-aminomuconate 6-semialdehyde dehydrogenase N169D 分子名称: 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION 著者 Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A. 登録日 2016-06-24 公開日 2016-11-09 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.102 Å) 主引用文献 A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism. J.Biol.Chem., 291, 2016
2ZMZ	The 1.37-A crystal structure of the hydroxylamine-induced deoxy-form of the copper-bound tyrosinase in complex with a caddie protein from Streptomyces castaneoglobisporus 分子名称: CADDIE, COPPER (I) ION, NITRATE ION, ... 著者 Matoba, Y, Sugiyama, M. 登録日 2008-04-21 公開日 2009-05-05 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.37 Å) 主引用文献 X-Ray Snapshots of a Hydroxylation Mechanism of Tyrosinase To be Published
7KCU	Joint neutron/X-ray structure of Oxyferrous Dehaloperoxidase B 分子名称: Dehaloperoxidase B, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Carey, L.M, Ghiladi, R.A, Meilleur, F, Myles, D. 登録日 2020-10-07 公開日 2021-10-13 最終更新日 2023-10-25 実験手法 NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION 主引用文献 Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature. Iucrj, 9, 2022
8OYD	TrkB transmembrane domain NMR structure in DMPC/DHPC bicelles 分子名称: BDNF/NT-3 growth factors receptor 著者 Kot, E.F, Mineev, K.S, Goncharuk, S.A. 登録日 2023-05-04 公開日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Structural Basis for the transmembrane signaling and antidepressant-induced activation of the receptor tyrosine kinase TrkB To Be Published
2ZNP	Human PPAR delta ligand binding domain in complex with a synthetic agonist TIPP204 分子名称: (2S)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside 著者 Oyama, T, Hirakawa, Y, Nagasawa, N, Miyachi, H, Morikawa, K. 登録日 2008-04-30 公開日 2009-05-05 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures Acta Crystallogr.,Sect.D, 65, 2009
7SV7	The complex of phosphorylated human cystic fibrosis transmembrane conductance regulator (CFTR) with ATP/Mg and Tezacaftor (VX-661) 分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, Cystic fibrosis transmembrane conductance regulator, ... 著者 Fiedorczuk, K, Chen, J. 登録日 2021-11-18 公開日 2022-01-12 最終更新日 2024-06-05 実験手法 ELECTRON MICROSCOPY (3.8 Å) 主引用文献 Mechanism of CFTR correction by type I folding correctors. Cell, 185, 2022
7T0R	Crystal structure of the anti-CD4 adnectin 6940_B01 as a complex with the extracellular domains of CD4 and ibalizumab fAb 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Adnectin 6940_B01, Ibalizumab Heavy Chain, ... 著者 Williams, S.P, Concha, N.O, Wensel, D.L, Hong, X. 登録日 2021-11-30 公開日 2022-01-12 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3.65 Å) 主引用文献 Novel Bent Conformation of CD4 Induced by HIV-1 Inhibitor Indirectly Prevents Productive Viral Attachment. J.Mol.Biol., 434, 2021
8OZ2	Human Aldose Reductase Mutant A299G/L300A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid) 分子名称: Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Klee, L.-S, Heine, A, Klebe, G. 登録日 2023-05-08 公開日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.04 Å) 主引用文献 Human Aldose Reductase Mutant A299G/L300A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid) To Be Published
7EFR	Structure of SARS-CoV-2 spike receptor-binding domain in complex with high affinity ACE2 mutant (T27W,N330Y) 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein 著者 Lu, G.W, Ye, F, Lin, X. 登録日 2021-03-23 公開日 2021-11-24 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.494 Å) 主引用文献 S19W, T27W, and N330Y mutations in ACE2 enhance SARS-CoV-2 S-RBD binding toward both wild-type and antibody-resistant viruses and its molecular basis. Signal Transduct Target Ther, 6, 2021

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