6QTY
 
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6D3X
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6QMR
 | | Complement factor D in complex with the inhibitor (S)-2-(2-((3'-(1-amino-2-hydroxyethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)acetic acid | | 分子名称: | 2-[2-[[3-[3-[(1~{S})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid, Complement factor D | | 著者 | Karki, R, Powers, J, Mainolfi, N, Anderson, K, Belanger, D, Liu, D, Jendza, K, Gelin, C.F, Solovay, C, Mac Sweeeny, A, Delgado, O, Crowley, M, Liao, S.-M, Argikar, U.A, Flohr, S, La Bonte, L.R, Lorthiois, E.L, Vulpetti, A, Cumin, F, Brown, A, Adams, C, Jaffee, B, Mogi, M. | | 登録日 | 2019-02-08 | | 公開日 | 2019-04-24 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Design, Synthesis, and Preclinical Characterization of Selective Factor D Inhibitors Targeting the Alternative Complement Pathway.
J.Med.Chem., 62, 2019
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4MCN
 | | Human SOD1 C57S Mutant, Metal-free | | 分子名称: | SULFATE ION, Superoxide dismutase [Cu-Zn] | | 著者 | Sea, K, Sohn, S.H, Durazo, A, Sheng, Y, Shaw, B, Cao, X, Taylor, A.B, Whitson, L.J, Holloway, S.P, Hart, P.J, Cabelli, D.E, Gralla, E.B, Valentine, J.S. | | 登録日 | 2013-08-21 | | 公開日 | 2014-08-27 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Insights into the role of the unusual disulfide bond in copper-zinc superoxide dismutase.
J.Biol.Chem., 290, 2015
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6QQ3
 | | The room temperature structure of lysozyme via the acoustic levitation of a droplet | | 分子名称: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | | 著者 | Axford, D.N, Docker, P, Dye, E, Morris, R. | | 登録日 | 2019-02-17 | | 公開日 | 2019-03-06 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Non-Contact Universal Sample Presentation for Room Temperature Macromolecular Crystallography Using Acoustic Levitation.
Sci Rep, 9, 2019
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4XE4
 | | Coagulation Factor XII protease domain crystal structure | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XII, GLYCEROL | | 著者 | Pathak, M, Wilmann, P, Awford, J, Li, C, Fisher, P.M, Dreveny, I, Dekker, L.V, Emsley, J. | | 登録日 | 2014-12-22 | | 公開日 | 2015-02-04 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Coagulation factor XII protease domain crystal structure.
J.Thromb.Haemost., 13, 2015
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4MJV
 | | Influenza Neuraminidase in complex with a novel antiviral compound | | 分子名称: | (2E,5S,9R,10S)-10-(acetylamino)-2-imino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]dec-6-ene-7-carboxylic acid, CALCIUM ION, Neuraminidase | | 著者 | Kerry, P.S. | | 登録日 | 2013-09-04 | | 公開日 | 2014-01-15 | | 最終更新日 | 2017-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Serendipitous discovery of a potent influenza virus a neuraminidase inhibitor.
Angew.Chem.Int.Ed.Engl., 53, 2014
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6QQE
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6DWM
 | | Structure of Human Cytochrome P450 1A1 with Bergamottin | | 分子名称: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 4-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one, Cytochrome P450 1A1, ... | | 著者 | Bart, A.G, Scott, E.E. | | 登録日 | 2018-06-26 | | 公開日 | 2018-10-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Structures of human cytochrome P450 1A1 with bergamottin and erlotinib reveal active-site modifications for binding of diverse ligands.
J. Biol. Chem., 293, 2018
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4MM0
 | | Crystal Structure Analysis of the Putative Thioether Synthase SgvP Involved in the Tailoring Step of Griseoviridin | | 分子名称: | P450-like monooxygenase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Zhang, H, Huang, L, Yi, M, Cai, T, Zhang, H. | | 登録日 | 2013-09-07 | | 公開日 | 2014-09-17 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural Analysis of SgvP: a Putative Thioether Synthase Involved in the Tailoring Step of Griseoviridin
To be Published
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8T85
 | | Structure of RssB bound to beryllofluoride | | 分子名称: | BERYLLIUM TRIFLUORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | | 著者 | Brugger, C, Schwartz, J, Deaconescu, A.M. | | 登録日 | 2023-06-21 | | 公開日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Structure of phosphorylated-like RssB, the adaptor delivering sigma s to the ClpXP proteolytic machinery, reveals an interface switch for activation.
J.Biol.Chem., 299, 2023
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6QPE
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4XE3
 | | OleP, the cytochrome P450 epoxidase from Streptomyces antibioticus involved in Oleandomycin biosynthesis: functional analysis and crystallographic structure in complex with clotrimazole. | | 分子名称: | 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Montemiglio, L.C, Parisi, G, Scaglione, A, Savino, C, Vallone, B. | | 登録日 | 2014-12-22 | | 公開日 | 2015-11-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Functional analysis and crystallographic structure of clotrimazole bound OleP, a cytochrome P450 epoxidase from Streptomyces antibioticus involved in oleandomycin biosynthesis.
Biochim.Biophys.Acta, 1860, 2015
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6QRH
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6QRK
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4ML3
 | | X-ray structure of ComE D58A REC domain from Streptococcus pneumoniae | | 分子名称: | Response regulator | | 著者 | Boudes, M, Sanchez, D, Durand, D, Graille, M, van Tilbeurgh, H, Quevillon-Cheruel, S. | | 登録日 | 2013-09-06 | | 公開日 | 2014-02-19 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | | 主引用文献 | Structural insights into the dimerization of the response regulator ComE from Streptococcus pneumoniae.
Nucleic Acids Res., 42, 2014
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4ML7
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6DGY
 | | Crystal structure of HIV-1 Protease NL4-3 WT in complex with UMass1 | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION | | 著者 | Lockbaum, G.J, Schiffer, C.A. | | 登録日 | 2018-05-18 | | 公開日 | 2018-12-26 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.954 Å) | | 主引用文献 | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
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6DH7
 | | Crystal structure of HIV-1 Protease NL4-3 I50V Mutant in complex with UMass1 | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION | | 著者 | Lockbaum, G.J, Schiffer, C.A. | | 登録日 | 2018-05-18 | | 公開日 | 2018-12-26 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.997 Å) | | 主引用文献 | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
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6QN4
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6DIK
 | | Crystal structure of Bothropstoxin I (BthTX-I) complexed to Chicoric acid | | 分子名称: | (2R,3R)-2,3-bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid, BICARBONATE ION, Basic phospholipase A2 homolog bothropstoxin-1, ... | | 著者 | Cardoso, F.F, Salvador, G.H.M, Borges, R.J. | | 登録日 | 2018-05-23 | | 公開日 | 2018-10-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Structural basis of phospholipase A2-like myotoxin inhibition by chicoric acid, a novel potent inhibitor of ophidian toxins.
Biochim Biophys Acta Gen Subj, 1862, 2018
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7QGC
 | | H. SAPIENS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6-DIBROMOBENZOTRIAZOLE AT PH 5.5 | | 分子名称: | 5,6-DIBROMOBENZOTRIAZOLE, CITRATE ANION, Casein kinase II subunit alpha, ... | | 著者 | Winiewska-Szajewska, M, Czapinska, H, Kaus-Drobek, M, Piasecka, A, Mieczkowska, K, Dadlez, M, Bochtler, M, Poznanski, J. | | 登録日 | 2021-12-08 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Competition between electrostatic interactions and halogen bonding in the protein-ligand system: structural and thermodynamic studies of 5,6-dibromobenzotriazole-hCK2 alpha complexes.
Sci Rep, 12, 2022
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6QUW
 | | Crystal Structure of KRAS-G12D in Complex with Natural Product-Like Compound 9b | | 分子名称: | (3~{a}~{R},8~{b}~{S})-2,2,3~{a},8~{b}-tetramethyl-3,4-dihydro-1~{H}-pyrrolo[2,3-b]indole, GTPase KRas, MAGNESIUM ION, ... | | 著者 | Fischer, G, Kessler, D, Muellauer, B, Wolkerstorfer, B. | | 登録日 | 2019-02-28 | | 公開日 | 2019-07-31 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.242 Å) | | 主引用文献 | KRAS Binders Hidden in Nature.
Chemistry, 25, 2019
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6DJ5
 | | HIV-1 protease with mutation L76V in complex with GRL-0519 (tris-tetrahydrofuran as P2 ligand) | | 分子名称: | (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, GLYCEROL, ... | | 著者 | Wong-Sam, A.E, Wang, Y.F, Weber, I.T. | | 登録日 | 2018-05-24 | | 公開日 | 2018-10-17 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease.
ACS Omega, 3, 2018
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8T71
 | | Crystal Structure of WT KRAS4a with bound GDP and Mg ion | | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | 著者 | Tran, T.H, Whitley, M.J, Dharmaiah, S, Simanshu, D.K. | | 登録日 | 2023-06-19 | | 公開日 | 2024-02-14 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
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