PDB: 5653 件ウェブページステータス検索Chemie searchBIRD

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6TU6	Kemp Eliminase HG3.17 mutant Q50M, E47N, N300D Complexed with Transition State Analog 6-Nitrobenzotriazole 分子名称: 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3.17 mutant Q50M, E47N, ... 著者 Bloch, J.S, Hilvert, D. 登録日 2020-01-02 公開日 2020-04-01 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Contribution of Oxyanion Stabilization to Kemp Eliminase Efficiencyproficiency Acs Catalysis, 2020
6SS3	Kemp Eliminase HG3.17 mutant Q50K, E47N, N300D Complexed with Transition State Analog 6-Nitrobenzotriazole 分子名称: 6-NITROBENZOTRIAZOLE, GLYCEROL, Kemp Eliminase HG3.17 Q50K, ... 著者 Bloch, J.S, Pinkas, D.M, Hilvert, D. 登録日 2019-09-06 公開日 2020-04-01 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.15 Å) 主引用文献 Contribution of Oxyanion Stabilization to Kemp Eliminase Efficiencyproficiency Acs Catalysis, 2020
5V63	Crystal structure of macrocycles containing Abeta 16-22 (KLV(PHI)FAE) and Abeta 30-36 (AII(SAR)L(ORN)V) 分子名称: ORN-LYS-LEU-VAL-PHI-PHE-ALA-GLU-ORN-ALA-ILE-ILE-SAR-LEU-MET-VAL 著者 Spencer, R.K, Salveson, P.J, Nowick, J.S. 登録日 2017-03-15 公開日 2017-06-28 最終更新日 2020-01-01 実験手法 X-RAY DIFFRACTION (2.091 Å) 主引用文献 X-ray Crystallographic Structure of a Compact Dodecamer from a Peptide Derived from A beta 16-36. Org. Lett., 19, 2017
5K5M	Co-Crystal Structure of Dengue Virus Serotype 2 RNA Dependent RNA Polymerase with Compound 27 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-N-[(3-methoxyphenyl)sulfonyl]benzamide, RNA Dependent RNA Polymerase, ... 著者 Arora, R, Benson, T.E. 登録日 2016-05-23 公開日 2016-08-24 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling. Plos Pathog., 12, 2016
4M6A	N-Terminal beta-Strand Swapping in a Consensus Derived Alternative Scaffold Driven by Stabilizing Hydrophobic Interactions 分子名称: Tencon 著者 Luo, J, Teplyakov, A, Obmolova, G, Malia, T.J, Chan, W, Jocobs, S.A, O'neil, K.T, Gilliland, G.L. 登録日 2013-08-09 公開日 2014-02-26 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.71 Å) 主引用文献 N-terminal beta-strand swapping in a consensus-derived alternative scaffold driven by stabilizing hydrophobic interactions. Proteins, 82, 2014
5KKG	Crystal structure of E72A mutant of ancestral protein ancMT of ADP-dependent sugar kinases family 分子名称: ADENOSINE MONOPHOSPHATE, GLYCEROL, IODIDE ION, ... 著者 Castro-Fernandez, V, Herrera-Morande, A, Zamora, R, Merino, F, Pereira, H.M, Brandao-Neto, J, Garratt, R, Guixe, V. 登録日 2016-06-21 公開日 2017-07-26 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.608 Å) 主引用文献 Reconstructed ancestral enzymes reveal that negative selection drove the evolution of substrate specificity in ADP-dependent kinases. J. Biol. Chem., 292, 2017
4NTP	Crystal structure of macrocycles containing A 17-23 (LV(PHI)FAED) and A 30-36 (AII(SAR)L(ORN)V) 分子名称: CHLORIDE ION, Cyclic hexadecapeptide (ORN)LV(PHI)FAED(ORN)AII(SAR)L(ORN)V, SODIUM ION 著者 Nowick, J.S, Spencer, R.K, Li, H. 登録日 2013-12-02 公開日 2014-04-02 最終更新日 2020-10-21 実験手法 X-RAY DIFFRACTION (1.987 Å) 主引用文献 X-ray crystallographic structures of trimers and higher-order oligomeric assemblies of a peptide derived from A beta (17-36). J.Am.Chem.Soc., 136, 2014
5UXT	Coiled-coil Trimer with Glu:Trp:Lys Triad 分子名称: GLYCEROL, coiled-coil trimer with Glu:Trp:Lys triad 著者 Smith, M.S, Billings, W.M, Whitby, F.G, Miller, M.B, Price, J.L. 登録日 2017-02-23 公開日 2017-08-09 実験手法 X-RAY DIFFRACTION (2.197 Å) 主引用文献 Enhancing a long-range salt bridge with intermediate aromatic and nonpolar amino acids. Org. Biomol. Chem., 15, 2017
6TT6	Solution structure of PD-i6 peptide inhibitor of the human PD-1 extracellular domain 分子名称: PD-i6 peptide 著者 Guardiola, S, Varese, M, Garcia, J, Giralt, E. 登録日 2019-12-23 公開日 2021-01-13 最終更新日 2023-11-15 実験手法 SOLUTION NMR 主引用文献 Solution structure of PD-i6 peptide targeting the human PD-1 extracellular domain To Be Published
4OZB	Backbone Modifications in the Protein GB1 Helix: beta-ACPC24, beta-3-Lys28, beta-3-Lys31, beta-ACPC35 分子名称: GLYCEROL, Streptococcal Protein GB1 Backbone Modified Variant: beta-ACPC24, beta-3-Lys28, ... 著者 Reinert, Z.E, Horne, W.S. 登録日 2014-02-14 公開日 2014-07-16 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Folding Thermodynamics of Protein-Like Oligomers with Heterogeneous Backbones. Chem Sci, 5, 2014
7LL7	[2]Catenane From MccJ25 Variant G12C G21C 分子名称: GLY-GLY-ALA-GLY-HIS-VAL-PRO-GLU-TYR-PHE, VAL-CYS-ILE-GLY-THR-PRO-ILE-SER-PHE-TYR-CYS 著者 Link, A.J, Schroeder, H.V. 登録日 2021-02-03 公開日 2021-08-04 最終更新日 2023-06-14 実験手法 SOLUTION NMR 主引用文献 Dynamic covalent self-assembly of mechanically interlocked molecules solely made from peptides. Nat.Chem., 13, 2021
5VBT	Crystal structure of a highly specific and potent USP7 ubiquitin variant inhibitor 分子名称: UBH04 著者 DONG, A, DONG, X, LIU, L, GUO, Y, LI, Y, ZHANG, W, WALKER, J.R, SIDHU, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, TONG, Y, Structural Genomics Consortium (SGC) 登録日 2017-03-30 公開日 2017-06-07 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.51 Å) 主引用文献 Crystal structure of a highly specific and potent USP7 ubiquitin variant inhibitor to be published
4J9A	Engineered Digoxigenin binder DIG10.3 分子名称: DIGOXIGENIN, Engineered Digoxigenin binder protein DIG10.3 著者 Stoddard, B.L, Doyle, L.A. 登録日 2013-02-15 公開日 2013-06-26 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Computational design of ligand-binding proteins with high affinity and selectivity. Nature, 501, 2013
5SUU	X-ray crystallographic structure of a covalent trimer derived from A-beta 17-36. X-ray diffractometer data set. (ORN)CVFFCED(ORN)AII(SAR)L(ORN)V. 分子名称: 16mer A-beta peptide: ORN-CYS-VAL-PHE-PHE-CYS-GLU-ASP-ORN-ALA-ILE-ILE-SAR-LEU-ORN-VAL, CHLORIDE ION, IODIDE ION 著者 Kreutzer, A.G, Spencer, R.K, Nowick, J.S. 登録日 2016-08-03 公開日 2017-01-11 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.032 Å) 主引用文献 Stabilization, Assembly, and Toxicity of Trimers Derived from A beta. J.Am.Chem.Soc., 139, 2017
5U59	Coiled Coil Peptide Metal Coordination Framework: Dimer Fold Grown with Citrate 分子名称: CITRIC ACID, COPPER (II) ION, Designed dimeric coiled coil peptide with two terpyridine side chains 著者 Tavenor, N.A, Murnin, M.J, Horne, W.S. 登録日 2016-12-06 公開日 2017-02-22 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Supramolecular Metal-Coordination Polymers, Nets, and Frameworks from Synthetic Coiled-Coil Peptides. J. Am. Chem. Soc., 139, 2017
4MTP	RdRp from Japanesese Encephalitis Virus 分子名称: RNA dependent RNA polymerase, ZINC ION 著者 Surana, P, Nair, D.T. 登録日 2013-09-20 公開日 2013-12-25 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (3.65 Å) 主引用文献 RNA-dependent RNA polymerase of Japanese encephalitis virus binds the initiator nucleotide GTP to form a mechanistically important pre-initiation state. Nucleic Acids Res., 42, 2014
7R50	Crystal structure of GMP reductase from mycobacterium smegmatis in complex with GMP. 分子名称: GUANOSINE-5'-MONOPHOSPHATE, Inosine-5-monophosphate dehydrogenase guaB1 著者 Dolezal, M, Klima, M, Pichova, I. 登録日 2022-02-09 公開日 2022-04-27 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 The mycobacterial guaB1 gene encodes a guanosine 5'-monophosphate reductase with a cystathionine-beta-synthase domain. Febs J., 289, 2022
7LIB	X-ray crystal structure of a cyclic peptide containing beta-2-microglobulin (63-69) and a gamma-methylornithine turn unit 分子名称: Cyclic peptide ORD-TYR-LEU-LEU-PHI-TYR-THR-GLU-GMO-LYS-VAL-THR-MVA-THR-VAL-LYS 著者 Wierzbicki, M, Nowick, J.S, Li, X. 登録日 2021-01-26 公開日 2021-08-11 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 An Improved Turn Structure for Inducing beta-Hairpin Formation in Peptides. Angew.Chem.Int.Ed.Engl., 60, 2021
6OK8	Crystal structure of Staphylococcal nuclease variant Delta+PHS K127L at cryogenic temperature 分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease 著者 Jeliazkov, J.R, Robinson, A.C, Berger, J.M, Garcia-Moreno E, B, Gray, J.G. 登録日 2019-04-12 公開日 2019-05-08 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Toward the computational design of protein crystals with improved resolution. Acta Crystallogr D Struct Biol, 75, 2019
4NW8	Crystal structure of macrocycles containing Abeta17-23 (LV(PHI)(MEA)AED) and Abeta30-36 (AIIGL(ORN)V) 分子名称: CHLORIDE ION, Cyclic hexadecapeptide (ORN)LV(PHI)(MEA)AED(ORN)AIIGL(ORN)V, SODIUM ION 著者 Spencer, R.K, Li, H, Nowick, J.S. 登録日 2013-12-05 公開日 2014-04-02 最終更新日 2017-11-22 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 X-ray crystallographic structures of trimers and higher-order oligomeric assemblies of a peptide derived from A beta (17-36). J.Am.Chem.Soc., 136, 2014
7RTZ	X-ray crystallographic structure of a beta-hairpin peptide derived from amyloid beta 14-40 分子名称: Amyloid-beta protein 40, CHLORIDE ION 著者 Samdin, T.D, Kreutzer, A.G, Nowick, J.S. 登録日 2021-08-16 公開日 2022-08-31 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 A beta-Barrel-Like Tetramer Formed by a beta-Hairpin Derived From A beta Chem Sci, 2023
4O5T	Crystal structure of Diels-Alderase CE20 in complex with a product analog 分子名称: 4-{[2-(phosphonooxy)ethyl]carbamoyl}benzyl [(1R,6S)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamate, Diisopropyl-fluorophosphatase 著者 Beck, T, Preiswerk, N, Mayer, C, Hilvert, D. 登録日 2013-12-20 公開日 2014-06-04 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Impact of scaffold rigidity on the design and evolution of an artificial Diels-Alderase. Proc.Natl.Acad.Sci.USA, 111, 2014
7JRH	X-ray crystal structure of a cyclic peptide containing medin(19-25) and medin(31-37) 分子名称: CALCIUM ION, Cyclic peptide ASP-GLN-TRP-MLE-GLN-VAL-ASP-ORD-GLU-VAL-THR-GLY-ILE-ILE-THR-ORD 著者 Wierzbicki, M, Howitz, W.J, Nowick, J.S. 登録日 2020-08-12 公開日 2020-09-09 最終更新日 2020-09-30 実験手法 X-RAY DIFFRACTION (1.32 Å) 主引用文献 Interpenetrating Cubes in the X-ray Crystallographic Structure of a Peptide Derived from Medin 19-36 . J.Am.Chem.Soc., 142, 2020
5JJR	Dengue 3 NS5 protein with compound 29 分子名称: 1,2-ETHANEDIOL, 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-4-methoxy-2-methyl-N-[(quinolin-8-yl)sulfonyl]benzamide, DI(HYDROXYETHYL)ETHER, ... 著者 Lescar, J, El Sahili, A. 登録日 2016-04-25 公開日 2016-07-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling Plos Pathog., 12, 2016
5JJS	Dengue 3 NS5 protein with compound 27 分子名称: 1,2-ETHANEDIOL, 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-N-{[(1R,3R)-3-methoxycyclohexyl]sulfonyl}benzamide, DI(HYDROXYETHYL)ETHER, ... 著者 Lescar, J, El Sahili, A. 登録日 2016-04-25 公開日 2016-07-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling Plos Pathog., 12, 2016

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