8ADF
| X-ray crystal structure of PPAR gamma ligand binding domain in complex with CZ39 | 分子名称: | (2R)-3-(4-bromophenyl)-2-(3-hydroxyphenyl)-4-oxidanyl-2H-furan-5-one, Peroxisome proliferator-activated receptor gamma | 著者 | Capelli, D, Montanari, R, Pochetti, G, Meneghetti, F, Villa, S. | 登録日 | 2022-07-08 | 公開日 | 2023-04-26 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Biological Screening and Crystallographic Studies of Hydroxy gamma-Lactone Derivatives to Investigate PPAR gamma Phosphorylation Inhibition. Biomolecules, 13, 2023
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5UCU
| STRUCTURAL AND MECHANISTIC INSIGHTS INTO HEMOGLOBIN-CATALYZED HYDROGEN SULFIDE OXIDATION AND THE FATE OF POLYSULFIDE PRODUCTS | 分子名称: | HYDROSULFURIC ACID, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | 著者 | Vitvitsky, V, Yadav, P.K, An, S, Seravalli, J, Cho, U.-S, Banerjee, R. | 登録日 | 2016-12-22 | 公開日 | 2017-03-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.797 Å) | 主引用文献 | Structural and Mechanistic Insights into Hemoglobin-catalyzed Hydrogen Sulfide Oxidation and the Fate of Polysulfide Products. J. Biol. Chem., 292, 2017
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5YCT
| Engineered hairpin loop3 mutant monomer in Single-chain Monellin | 分子名称: | Single chain Monellin | 著者 | Surana, P, Nandwani, N, Udgaonkar, J.B, Gosavi, S, Das, R. | 登録日 | 2017-09-08 | 公開日 | 2018-11-28 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.851 Å) | 主引用文献 | A five-residue motif for the design of domain swapping in proteins. Nat Commun, 10, 2019
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5UCH
| Hsp90b N-terminal domain with inhibitors | 分子名称: | 2-(5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylphenyl)acetonitrile, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Peng, S, Balch, M, Matts, R, Deng, J. | 登録日 | 2016-12-22 | 公開日 | 2018-01-10 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.654 Å) | 主引用文献 | Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor. Nat Commun, 9, 2018
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5U9N
| Second Bromodomain of cdg4_1340 from Cryptosporidium parvum, complexed with bromosporine | 分子名称: | Bromo domain containing protein, Bromosporine, SULFATE ION | 著者 | Hou, C.F.D, Lin, Y.H, Loppnau, P, Hutchinson, A, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC) | 登録日 | 2016-12-16 | 公開日 | 2017-01-18 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Second Bromodomain of cdg4_1340 from Cryptosporidium parvum, complexed with bromosporine To be published
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5YF2
| Crystal structure of CARNMT1 bound to anserine and SAH | 分子名称: | (2~{S})-2-(3-azanylpropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid, CALCIUM ION, Carnosine N-methyltransferase, ... | 著者 | Cao, R, Li, H. | 登録日 | 2017-09-20 | 公開日 | 2018-08-01 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.802 Å) | 主引用文献 | Molecular basis for histidine N1 position-specific methylation by CARNMT1. Cell Res., 28, 2018
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1KG6
| Crystal structure of the K142R mutant of E.coli MutY (core fragment) | 分子名称: | A/G-specific adenine glycosylase, GLYCEROL, IRON/SULFUR CLUSTER, ... | 著者 | Gilboa, R, Kilshtein, A, Zharkov, D.O, Kycia, J.H, Gerchman, S.E, Grollman, A.P, Shoham, G. | 登録日 | 2001-11-26 | 公開日 | 2002-11-26 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Analysis of the E.coli MutY DNA glycosylase structure and function by site-directed mutagenesis To be Published
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1Q61
| PKA triple mutant model of PKB | 分子名称: | N-OCTANOYL-N-METHYLGLUCAMINE, cAMP-dependent protein kinase inhibitor, alpha form, ... | 著者 | Gassel, M, Breitenlechner, C.B, Rueger, P, Jucknischke, U, Schneider, T, Huber, R, Bossemeyer, D, Engh, R.A. | 登録日 | 2003-08-12 | 公開日 | 2003-09-30 | 最終更新日 | 2021-10-27 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Mutants of protein kinase A that mimic the ATP-binding site of protein kinase B (AKT) J.Mol.Biol., 329, 2003
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1PXV
| The staphostatin-staphopain complex: a forward binding inhibitor in complex with its target cysteine protease | 分子名称: | GUANIDINE, SULFATE ION, cysteine protease, ... | 著者 | Filipek, R, Rzychon, M, Oleksy, A, Gruca, M, Dubin, A, Potempa, J, Bochtler, M. | 登録日 | 2003-07-07 | 公開日 | 2003-10-21 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The Staphostatin-Staphopain Complex: A FORWARD BINDING INHIBITOR IN COMPLEX WITH ITS TARGET CYSTEINE PROTEASE. J.Biol.Chem., 278, 2003
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8B3K
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8AHN
| Sin Nombre virus Gn in complex with Fab SNV-42 | 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, Envelope polyprotein, ... | 著者 | Stass, R, Bowden, T.A. | 登録日 | 2022-07-22 | 公開日 | 2023-05-24 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Mechanistic basis for potent neutralization of Sin Nombre hantavirus by a human monoclonal antibody. Nat Microbiol, 8, 2023
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8B3Q
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5YEI
| Mechanistic insight into the regulation of Pseudomonas aeruginosa aspartate kinase | 分子名称: | Aspartokinase, GLYCEROL, LYSINE, ... | 著者 | Li, C, Yang, M, Liu, L, Peng, C, Li, T, He, L, Song, Y, Zhu, Y, Bao, R. | 登録日 | 2017-09-17 | 公開日 | 2018-08-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.301 Å) | 主引用文献 | Mechanistic insights into the allosteric regulation of Pseudomonas aeruginosa aspartate kinase. Biochem.J., 475, 2018
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8B3P
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8B3O
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5YHL
| Crystal structure of the human prostaglandin E receptor EP4 in complex with Fab and an antagonist Br-derivative | 分子名称: | 4-[2-[[(2R)-2-(4-bromanylnaphthalen-1-yl)propanoyl]amino]-4-cyano-phenyl]butanoic acid, Heavy chain of Fab fragment, Light chain of Fab fragment, ... | 著者 | Toyoda, Y, Morimoto, K, Suno, R, Horita, S, Iwata, S, Kobayashi, T. | 登録日 | 2017-09-28 | 公開日 | 2018-12-05 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (4.2 Å) | 主引用文献 | Ligand binding to human prostaglandin E receptor EP4at the lipid-bilayer interface. Nat. Chem. Biol., 15, 2019
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4NWD
| Crystal structure of the kainate receptor GluK3 ligand-binding domain in complex with the agonist (2S,4R)-4-(3-Methylamino-3-oxopropyl)glutamic acid at 2.6 A resolution | 分子名称: | (4R)-4-[3-(methylamino)-3-oxopropyl]-L-glutamic acid, CHLORIDE ION, Glutamate receptor ionotropic, ... | 著者 | Venskutonyte, R, Larsen, A.P, Frydenvang, K, Gajhede, M, Kastrup, J.S. | 登録日 | 2013-12-06 | 公開日 | 2014-08-06 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Molecular Recognition of Two 2,4-syn-Functionalized (S)-Glutamate Analogues by the Kainate Receptor GluK3 Ligand Binding Domain. Chemmedchem, 9, 2014
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5UFW
| Estrogen Receptor Alpha Ligand Binding Domain in Complex with OP1154 | 分子名称: | (2S)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2H-1-benzopyran-7-ol, Estrogen receptor | 著者 | Fanning, S.W, Hodges-Gallagher, L, Myles, D.C, Sun, R, Fowler, C.E, Green, B.D, Harmon, C.L, Greene, G.L, Kushner, P.J. | 登録日 | 2017-01-06 | 公開日 | 2018-01-10 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.583 Å) | 主引用文献 | Specific stereochemistry of OP-1074 disrupts estrogen receptor alpha helix 12 and confers pure antiestrogenic activity. Nat Commun, 9, 2018
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1Q17
| Structure of the yeast Hst2 protein deacetylase in ternary complex with 2'-O-acetyl ADP ribose and histone peptide | 分子名称: | ADENOSINE-5-DIPHOSPHORIBOSE, CHLORIDE ION, HST2 protein, ... | 著者 | Zhao, K, Chai, X, Marmorstein, R. | 登録日 | 2003-07-18 | 公開日 | 2003-11-18 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structure of the Yeast Hst2 Protein Deacetylase in Ternary Complex with 2'-O-Acetyl
ADP Ribose and Histone Peptide. Structure, 11, 2003
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1KF4
| Atomic Resolution Structure of RNase A at pH 6.3 | 分子名称: | SULFATE ION, pancreatic ribonuclease | 著者 | Berisio, R, Sica, F, Lamzin, V.S, Wilson, K.S, Zagari, A, Mazzarella, L. | 登録日 | 2001-11-19 | 公開日 | 2001-12-19 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Atomic resolution structures of ribonuclease A at six pH values. Acta Crystallogr.,Sect.D, 58, 2002
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1KG4
| Crystal structure of the K142A mutant of E. coli MutY (core fragment) | 分子名称: | A/G-specific adenine glycosylase, GLYCEROL, IRON/SULFUR CLUSTER, ... | 著者 | Gilboa, R, Kilshtein, A, Zharkov, D.O, Kycia, J.H, Gerchman, S.E, Grollman, A.P, Shoham, G. | 登録日 | 2001-11-26 | 公開日 | 2002-11-26 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Analysis of the E.coli MutY DNA glycosylase structure and function by site-directed mutagenesis To be Published
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1KHQ
| ORTHORHOMBIC FORM OF PAPAIN/ZLFG-DAM COVALENT COMPLEX | 分子名称: | Papain, peptidic inhibitor | 著者 | Janowski, R, Kozak, M, Jankowska, E, Grzonka, Z, Jaskolski, M. | 登録日 | 2001-11-30 | 公開日 | 2003-09-09 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Two polymorphs of a covalent complex between papain and a diazomethylketone inhibitor J.Pept.Res., 64, 2004
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1KI7
| CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH 5-IODODEOXYURIDINE | 分子名称: | 5-IODODEOXYURIDINE, SULFATE ION, THYMIDINE KINASE | 著者 | Champness, J.N, Bennett, M.S, Wien, F, Visse, R, Summers, W.C, Sanderson, M.R. | 登録日 | 1998-05-15 | 公開日 | 1998-12-02 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands. Proteins, 32, 1998
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5UG3
| NMR SOLUTION STRUCTURE OF ALPHA-CONOTOXIN GID MUTANT A10V | 分子名称: | Alpha-conotoxin GID | 著者 | Hussein, A.K, Leffler, A.E, Zebroski, H.A, Powell, S.R, Kuryatov, A, Filipenko, P, Gorson, J, Heizmann, A, Lyskov, S, Nicke, A, Lindstrom, J, Rudy, B, Bonneau, R, Holford, M, Poget, S.F. | 登録日 | 2017-01-06 | 公開日 | 2017-09-06 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Discovery of peptide ligands through docking and virtual screening at nicotinic acetylcholine receptor homology models. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1KIM
| CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH DEOXYTHYMIDINE | 分子名称: | SULFATE ION, THYMIDINE, THYMIDINE KINASE | 著者 | Champness, J.N, Bennett, M.S, Wien, F, Brown, D.G, Visse, R, Sandhu, G, Davies, A, Rizkallah, P.J, Melitz, C, Summers, W.C, Sanderson, M.R. | 登録日 | 1997-11-12 | 公開日 | 1998-05-20 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands. Proteins, 32, 1998
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