7ZSD
 
 | | cryo-EM structure of omicron spike in complex with de novo designed binder, local | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, de novo designed binder | | 著者 | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | | 登録日 | 2022-05-06 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-05-24 | | 実験手法 | ELECTRON MICROSCOPY (3.29 Å) | | 主引用文献 | De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
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7ZSS
 | | cryo-EM structure of D614 spike in complex with de novo designed binder | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | 著者 | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | | 登録日 | 2022-05-08 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-05-24 | | 実験手法 | ELECTRON MICROSCOPY (2.63 Å) | | 主引用文献 | De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
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8A82
 | | Fe(II)/aKG-dependent halogenase OocPQ | | 分子名称: | Cupin_8 domain-containing protein, FE (III) ION, GLYCEROL, ... | | 著者 | Fraley, A.E, Meoded, R.A, Schmalhofer, M, Bergande, C, Groll, M, Piel, J. | | 登録日 | 2022-06-21 | | 公開日 | 2023-03-08 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Heterocomplex structure of a polyketide synthase component involved in modular backbone halogenation.
Structure, 31, 2023
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476D
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4A4K
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2JSI
 | | 11-23 obestatin fragment in DPC/SDS micellar solution | | 分子名称: | Appetite-regulating hormone, Obestatin | | 著者 | D'Ursi, A.M, Scrima, M, Esposito, C, Campiglia, P. | | 登録日 | 2007-07-05 | | 公開日 | 2008-10-21 | | 最終更新日 | 2022-03-16 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Obestatin conformational features: a strategy to unveil obestatin's biological role?
Biochem.Biophys.Res.Commun., 363, 2007
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4A8C
 | | Symmetrized cryo-EM reconstruction of E. coli DegQ 12-mer in complex with a binding peptide | | 分子名称: | PERIPLASMIC PH-DEPENDENT SERINE ENDOPROTEASE DEGQ | | 著者 | Malet, H, Canellas, F, Sawa, J, Yan, J, Thalassinos, K, Ehrmann, M, Clausen, T, Saibil, H.R. | | 登録日 | 2011-11-20 | | 公開日 | 2012-01-11 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (7.5 Å) | | 主引用文献 | Newly Folded Substrates Inside the Molecular Cage of the Htra Chaperone Degq
Nat.Struct.Mol.Biol., 19, 2012
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4YUP
 | | Multiconformer fixed-target X-ray free electron (XFEL) model of CypA at 273 K | | 分子名称: | Peptidyl-prolyl cis-trans isomerase A | | 著者 | Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S. | | 登録日 | 2015-03-18 | | 公開日 | 2015-10-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
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4AHY
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4AA2
 | | Crystal structure of ANCE in complex with bradykinin potentiating peptide b | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, BRADYKININ-POTENTIATING PEPTIDE B, ... | | 著者 | Isaac, R.E, Akif, M, Schwager, S.L.U, Masuyer, G, Sturrock, E.D, Acharya, K.R. | | 登録日 | 2011-11-30 | | 公開日 | 2012-10-31 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Structural Basis of Peptide Recognition by the Angiotensin-I Converting Enzyme Homologue Ance from Drosophila Melanogaster
FEBS J., 279, 2012
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4A00
 | | Structure of an engineered aspartate aminotransferase | | 分子名称: | ALANYL-PYRIDOXAL-5'-PHOSPHATE, ASPARTATE AMINOTRANSFERASE, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Fernandez, F.J, deVries, D, Pena-Soler, E, Coll, M, Christen, P, Gehring, H, Vega, M.C. | | 登録日 | 2011-09-06 | | 公開日 | 2011-12-28 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Structure and Mechanism of a Cysteine Sulfinate Desulfinase Engineered on the Aspartate Aminotransferase Scaffold.
Biocim.Biophys.Acta, 1824, 2011
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2JUR
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4AFL
 | | The crystal structure of the ING4 dimerization domain reveals the functional organization of the ING family of chromatin binding proteins. | | 分子名称: | INHIBITOR OF GROWTH PROTEIN 4 | | 著者 | Culurgioni, S, Munoz, I.G, Moreno, A, Palacios, A, Villate, M, Palmero, I, Montoya, G, Blanco, F.J. | | 登録日 | 2012-01-19 | | 公開日 | 2012-02-22 | | 最終更新日 | 2012-07-11 | | 実験手法 | X-RAY DIFFRACTION (2.275 Å) | | 主引用文献 | Crystal Structure of Inhibitor of Growth 4 (Ing4) Dimerization Domain Reveals Functional Organization of Ing Family of Chromatin-Binding Proteins.
J.Biol.Chem., 287, 2012
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7ZX1
 | | Crystal structure of Pol theta polymerase domain in complex with compound 22 | | 分子名称: | (2~{S},3~{R})-1-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]-~{N}-methyl-~{N}-(3-methylphenyl)-3-oxidanyl-pyrrolidine-2-carboxamide, 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*(DDG))-3'), ... | | 著者 | Krajewski, W.W, Turnbull, A.P, Willis, S, Charles, M, Stockley, M, Heald, R.A. | | 登録日 | 2022-05-19 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.829 Å) | | 主引用文献 | Discovery, Characterization, and Structure-Based Optimization of Small-Molecule In Vitro and In Vivo Probes for Human DNA Polymerase Theta.
J.Med.Chem., 65, 2022
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401D
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4AL1
 | | Crystal structure of Human PS-1 GSH-analog complex | | 分子名称: | L-gamma-glutamyl-S-(2-biphenyl-4-yl-2-oxoethyl)-L-cysteinylglycine, PALMITIC ACID, PROSTAGLANDIN E SYNTHASE, ... | | 著者 | Sjogren, T, Nord, J, Ek, M, Johansson, P, Liu, G, Geschwindner, S. | | 登録日 | 2012-02-29 | | 公開日 | 2013-02-06 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Crystal Structure of Microsomal Prostaglandin E2 Synthase Provides Insight Into Diversity in the Mapeg Superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4AM9
 | | CRYSTAL STRUCTURE OF THE YERSINIA ENTEROCOLITICA TYPE III SECRETION CHAPERONE SYCD IN COMPLEX WITH A PEPTIDE OF THE TRANSLOCATOR YOPD | | 分子名称: | (R,R)-2,3-BUTANEDIOL, CHAPERONE SYCD, SULFATE ION, ... | | 著者 | Schreiner, M, Niemann, H.H. | | 登録日 | 2012-03-08 | | 公開日 | 2012-05-30 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal Structure of the Yersinia Enterocolitica Type III Secretion Chaperone Sycd in Complex with a Peptide of the Minor Translocator Yopd
Bmc Struct.Biol., 12, 2012
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4A5O
 | | Crystal structure of Pseudomonas aeruginosa N5, N10- methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD) | | 分子名称: | BIFUNCTIONAL PROTEIN FOLD, DI(HYDROXYETHYL)ETHER, GLYCEROL | | 著者 | Eadsforth, T.C, Gardiner, M, Maluf, F.V, McElroy, S, James, D, Frearson, J, Gray, D, Hunter, W.N. | | 登録日 | 2011-10-26 | | 公開日 | 2011-11-16 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Assessment of Pseudomonas Aeruginosa N(5),N(10)-Methylenetetrahydrofolate Dehydrogenase - Cyclohydrolase as a Potential Antibacterial Drug Target.
Plos One, 7, 2012
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2JX3
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466D
 | | DISORDER AND TWIN REFINEMENT OF RNA HEPTAMER DOUBLE HELIX | | 分子名称: | RNA (5'-R(*GP*GP*GP*GP*CP*UP*A)-3'), RNA (5'-R(*UP*AP*GP*CP*UP*CP*C)-3'), SODIUM ION, ... | | 著者 | Mueller, U, Muller, Y.A, Herbst-Irmer, R, Sprinzl, M, Heinemann, U. | | 登録日 | 1999-04-14 | | 公開日 | 1999-08-16 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | | 主引用文献 | Disorder and twin refinement of RNA heptamer double helices.
Acta Crystallogr.,Sect.D, 55, 1999
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4A16
 | | Structure of mouse Acetylcholinesterase complex with Huprine derivative | | 分子名称: | (1-{4-[(7S,11S)-12-AMINO-3-CHLORO-6,7,10,11-TETRAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-9-YL]BUTYL}-1H-1,2,3-TRIAZOL-4-YL)METHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | | 著者 | Carletti, E, Colletier, J.P, Nachon, F, Weik, M, Ronco, C, Jean, L, Renard, P.Y. | | 登録日 | 2011-09-14 | | 公開日 | 2012-03-28 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Huprine Derivatives as Sub-Nanomolar Human Acetylcholinesterase Inhibitors: From Rational Design to Validation by X-Ray Crystallography.
Chemmedchem, 7, 2012
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4AKJ
 | | Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer structures by an engineered acylated insulin | | 分子名称: | CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ... | | 著者 | Steensgaard, D.B, Schluckebier, G, Strauss, H.M, Norrman, M, Thomsen, J.K, Friderichsen, A.V, Havelund, S, Jonassen, I. | | 登録日 | 2012-02-23 | | 公開日 | 2013-01-09 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Ligand Controlled Assembly of Hexamers, Dihexamers, and Linear Multihexamer Structures by the Engineered Acylated Insulin Degludec.
Biochemistry, 52, 2013
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2PJ4
 | | CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B [((R)-Benzyloxycarbonylamino-cyclohexyl-methyl)-hydroxy-phosphinoyloxy]-(3-guanidino-phenyl)-acetic acid COMPLEX | | 分子名称: | (5R,6R,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-5-CYCLOHEXYL-6-HYDROXY-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE, Carboxypeptidase B, ZINC ION | | 著者 | Adler, M, Whitlow, M. | | 登録日 | 2007-04-15 | | 公開日 | 2008-01-22 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
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460D
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2PJ9
 | | CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 2-(3-Aminomethyl-phenyl)-3-{[(R)-1-(benzo[1,2,5]thiadiazole-4-sulfonylamino)-2-methyl-propyl]-hydroxy-phosphinoyl}-propionic acid COMPLEX | | 分子名称: | (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(S)-{(1R)-1-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-METHYLPROPYL}(HYDROXY)PHOSPHORYL]PROPANOIC ACID, Carboxypeptidase B, ZINC ION | | 著者 | Adler, M, Whitlow, M. | | 登録日 | 2007-04-15 | | 公開日 | 2008-01-22 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
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