4QSW
 
 | | Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with 5-methyl uridine | | 分子名称: | 1,2-ETHANEDIOL, 5-methyluridine, ATPase family AAA domain-containing protein 2, ... | | 著者 | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2014-07-06 | | 公開日 | 2014-07-23 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure-based approaches towards identification of fragments for the low-druggability ATAD2 bromodomain
MedChemComm, 5, 2014
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4QRB
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6IK9
 | | HIV-1 reverse transcriptase with Q151M/G112S/D113A/Y115F/F116Y/F160L/I159L:DNA:dGTP ternary complex | | 分子名称: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA/RNA (38-MER), GLYCEROL, ... | | 著者 | Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K. | | 登録日 | 2018-10-15 | | 公開日 | 2019-01-30 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.435 Å) | | 主引用文献 | Active-site deformation in the structure of HIV-1 RT with HBV-associated septuple amino acid substitutions rationalizes the differential susceptibility of HIV-1 and HBV against 4'-modified nucleoside RT inhibitors.
Biochem. Biophys. Res. Commun., 509, 2019
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4N34
 | | Structure of langerin CRD I313 with alpha-MeGlcNAc | | 分子名称: | C-type lectin domain family 4 member K, CALCIUM ION, methyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside | | 著者 | Feinberg, H, Rowntree, T.J.W, Tan, S.L.W, Drickamer, K, Weis, W.I, Taylor, M.E. | | 登録日 | 2013-10-06 | | 公開日 | 2013-11-20 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Common polymorphisms in human langerin change specificity for glycan ligands.
J.Biol.Chem., 288, 2013
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3NSB
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7KVP
 | | Human CYP3A4 bound to an inhibitor | | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | | 著者 | Sevrioukova, I. | | 登録日 | 2020-11-28 | | 公開日 | 2021-01-20 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength.
Int J Mol Sci, 22, 2021
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3C2I
 | | The Crystal Structure of Methyl-CpG Binding Domain of Human MeCP2 in Complex with a Methylated DNA Sequence from BDNF | | 分子名称: | DNA (5'-D(*DAP*DTP*DAP*DGP*DAP*DAP*DGP*DAP*DAP*DTP*DTP*DCP*(5CM)P*DGP*DTP*DTP*DCP*DCP*DAP*DG)-3'), DNA (5'-D(*DTP*DCP*DTP*DGP*DGP*DAP*DAP*(5CM)P*DGP*DGP*DAP*DAP*DTP*DTP*DCP*DTP*DTP*DCP*DTP*DA)-3'), Methyl-CpG-binding protein 2 | | 著者 | Ho, K.L, McNae, I.W, Schmiedeberg, L, Klose, R.J, Bird, A.P, Walkinshaw, M.D. | | 登録日 | 2008-01-25 | | 公開日 | 2008-05-13 | | 最終更新日 | 2021-11-10 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | MeCP2 binding to DNA depends upon hydration at methyl-CpG
Mol.Cell, 29, 2008
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1WY7
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4R9W
 | | Crystal structure of platelet factor 4 complexed with fondaparinux | | 分子名称: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, Platelet factor 4 | | 著者 | Cai, Z, Zhu, Z, Liu, Q, Greene, M.I. | | 登録日 | 2014-09-08 | | 公開日 | 2015-12-16 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Atomic description of the immune complex involved in heparin-induced thrombocytopenia.
Nat Commun, 6, 2015
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3F58
 | | IGG1 FAB FRAGMENT (58.2) COMPLEX WITH 12-RESIDUE CYCLIC PEPTIDE (INCLUDING RESIDUES 315-324 OF HIV-1 GP120 (MN ISOLATE); H315S MUTATION | | 分子名称: | PROTEIN (CYCLIC PEPTIDE (GP120)), PROTEIN (IMMUNOGLOBULIN GAMMA I (58.2)) | | 著者 | Stanfield, R.L, Cabezas, E, Satterthwait, A.C, Stura, E.A, Profy, A.T, Wilson, I.A. | | 登録日 | 1998-10-23 | | 公開日 | 1999-02-09 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Dual conformations for the HIV-1 gp120 V3 loop in complexes with different neutralizing fabs.
Structure Fold.Des., 7, 1999
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2KA5
 | | NMR Structure of the protein TM1081 | | 分子名称: | Putative anti-sigma factor antagonist TM_1081 | | 著者 | Serrano, P, Geralt, M, Mohanty, B, Pedrini, B, Horst, R, Wuthrich, K, Wilson, I, Joint Center for Structural Genomics (JCSG) | | 登録日 | 2008-10-30 | | 公開日 | 2008-11-25 | | 最終更新日 | 2024-05-08 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Comparison of NMR and crystal structures highlights conformational isomerism in protein active sites.
Acta Crystallogr.,Sect.F, 66, 2010
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1SG2
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2KIJ
 | | Solution structure of the Actuator domain of the copper-transporting ATPase ATP7A | | 分子名称: | Copper-transporting ATPase 1 | | 著者 | Banci, L, Bertini, I, Cantini, F, Migliardi, M, Nushi, F, Natile, G, Rosato, A. | | 登録日 | 2009-05-06 | | 公開日 | 2009-08-25 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structures of the actuator domain of ATP7A and ATP7B, the Menkes and Wilson disease proteins
Biochemistry, 48, 2009
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8T9Y
 | | Structure of VHH-Fab complex with engineered Elbow FNQIKG and Crystal Kappa regions | | 分子名称: | DI(HYDROXYETHYL)ETHER, Fab heavy chain, Fab light chain, ... | | 著者 | Filippova, E.V, Thompson, I, Kossiakoff, A.A. | | 登録日 | 2023-06-26 | | 公開日 | 2023-11-29 | | 最終更新日 | 2024-01-03 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
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5Y9T
 | | Crystal Structure of EGFR T790M mutant in complex with naquotinib | | 分子名称: | 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin e-2-carboxamide, Epidermal growth factor receptor | | 著者 | Mimasu, S, Tomimoto, Y, Maiko, I, Yasushi, A, Tatsuya, N. | | 登録日 | 2017-08-28 | | 公開日 | 2018-07-11 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | | 主引用文献 | Pharmacological and Structural Characterizations of Naquotinib, a Novel Third-Generation EGFR Tyrosine Kinase Inhibitor, inEGFR-Mutated Non-Small Cell Lung Cancer.
Mol. Cancer Ther., 17, 2018
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1SL4
 | | Crystal Structure of DC-SIGN carbohydrate recognition domain complexed with Man4 | | 分子名称: | CALCIUM ION, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose, mDC-SIGN1B type I isoform | | 著者 | Guo, Y, Feinberg, H, Conroy, E, Mitchell, D.A, Alvarez, R, Blixt, O, Taylor, M.E, Weis, W.I, Drickamer, K. | | 登録日 | 2004-03-05 | | 公開日 | 2004-06-15 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structural basis for distinct ligand-binding and targeting properties of the receptors
DC-SIGN and DC-SIGNR
Nat.Struct.Mol.Biol., 11, 2004
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3C9X
 | | Crystal structure of Trichoderma reesei aspartic proteinase | | 分子名称: | GLYCEROL, Trichoderma reesei Aspartic protease | | 著者 | Nascimento, A.S, Krauchenco, S, Golubev, A.M, Gustchina, A, Wlodawer, A, Polikarpov, I. | | 登録日 | 2008-02-19 | | 公開日 | 2008-08-19 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Statistical coupling analysis of aspartic proteinases based on crystal structures of the Trichoderma reesei enzyme and its complex with pepstatin A.
J.Mol.Biol., 382, 2008
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1SPH
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3FNK
 | | Crystal structure of the second type II cohesin module from the cellulosomal adaptor ScaA scaffoldin of Acetivibrio cellulolyticus | | 分子名称: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 1,4-BUTANEDIOL, ... | | 著者 | Noach, I, Frolow, F, Bayer, E.A. | | 登録日 | 2008-12-25 | | 公開日 | 2009-06-23 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Intermodular Linker Flexibility Revealed from Crystal Structures of Adjacent Cellulosomal Cohesins of Acetivibrio cellulolyticus
J.Mol.Biol., 391, 2009
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4NRK
 | | Structure of hemagglutinin with F95Y mutation of influenza virus B/Lee/40 complex with LSTc | | 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, Hemagglutinin HA1 chain, ... | | 著者 | Ni, F, Mbawuike, I.N, Kondrashkina, E, Wang, Q. | | 登録日 | 2013-11-26 | | 公開日 | 2014-03-12 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | | 主引用文献 | The roles of hemagglutinin Phe-95 in receptor binding and pathogenicity of influenza B virus.
Virology, 450-451, 2014
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4QX3
 | | Cry3A Toxin structure obtained by injecting Bacillus thuringiensis cells in an XFEL beam, collecting data by serial femtosecond crystallographic methods and processing data with the CrystFEL software suite | | 分子名称: | Pesticidal crystal protein cry3Aa | | 著者 | Sawaya, M.R, Cascio, D, Gingery, M, Rodriguez, J, Goldschmidt, L, Colletier, J.-P, Messerschmidt, M, Boutet, S, Koglin, J.E, Williams, G.J, Brewster, A.S, Nass, K, Hattne, J, Botha, S, Doak, R.B, Shoeman, R.L, DePonte, D.P, Park, H.-W, Federici, B.A, Sauter, N.K, Schlichting, I, Eisenberg, D. | | 登録日 | 2014-07-17 | | 公開日 | 2014-08-13 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Protein crystal structure obtained at 2.9 angstrom resolution from injecting bacterial cells into an X-ray free-electron laser beam.
Proc.Natl.Acad.Sci.USA, 111, 2014
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5YP4
 | | Crystal structure of dipeptidyl peptidase IV (DPP IV) with Lys-Pro from Pseudoxanthomonas mexicana WO24 | | 分子名称: | Dipeptidyl aminopeptidase 4, GLYCEROL, LYSINE, ... | | 著者 | Roppongi, S, Suzuki, Y, Tateoka, C, Fuimoto, M, Morisawa, S, Iizuka, I, Nakamura, A, Honma, N, Shida, Y, Ogasawara, W, Tanaka, N, Sakamoto, Y, Nonaka, T. | | 登録日 | 2017-11-01 | | 公開日 | 2018-02-21 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structures of a bacterial dipeptidyl peptidase IV reveal a novel substrate recognition mechanism distinct from that of mammalian orthologues.
Sci Rep, 8, 2018
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4R0R
 | | Ebolavirus GP Prehairpin Intermediate Mimic | | 分子名称: | eboIZN21 | | 著者 | Clinton, T.R, Weinstock, M.T, Jacobsen, M.T, Szabo-Fresnais, N, Pandya, M.J, Whitby, F.G, Herbert, A.S, Prugar, L.I, McKinnon, R, Hill, C.P, Welch, B.D, Dye, J.M, Eckert, D.M, Kay, M.S. | | 登録日 | 2014-08-01 | | 公開日 | 2014-10-22 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Design and characterization of ebolavirus GP prehairpin intermediate mimics as drug targets.
Protein Sci., 24, 2015
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8TJ4
 | | CRYSTAL STRUCTURE OF THE A/Bangkok/1/1979(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLNLN | | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Wu, N.C, Zhu, X, Wilson, I.A. | | 登録日 | 2023-07-20 | | 公開日 | 2024-02-14 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site.
Cell Host Microbe, 32, 2024
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7KSA
 | | Crystal structure of human CYP3A4 with the caged inhibitor | | 分子名称: | (tert-butyl {1-[(1-oxo-3-phenyl-1-{[3-(pyridin-3-yl-kappaN)prop-1-en-1-yl]amino}propan-2-yl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~N~1~,N~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~N~1^{1~},N~2^{1~},N~3^{1~})ruthenium, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Sevrioukova, I.S. | | 登録日 | 2020-11-21 | | 公開日 | 2021-06-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Photosensitive Ru(II) Complexes as Inhibitors of the Major Human Drug Metabolizing Enzyme CYP3A4.
J.Am.Chem.Soc., 143, 2021
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