2QYN
 
 | | Crystal structure of PDE4D2 in complex with inhibitor NPV | | 分子名称: | 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid, MAGNESIUM ION, ZINC ION, ... | | 著者 | Ke, H. | | 登録日 | 2007-08-15 | | 公開日 | 2008-04-08 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Structures of the four subfamilies of phosphodiesterase-4 provide insight into the selectivity of their inhibitors.
Biochem.J., 408, 2007
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4ZTY
 | | Neurospora crassa cobalamin-independent methionine synthase complexed with Cd2+ | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, Cobalamin-Independent Methionine synthase, ... | | 著者 | Wheatley, R.W, Ng, K.K, Kapoor, M. | | 登録日 | 2015-05-15 | | 公開日 | 2015-12-09 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Fungal cobalamin-independent methionine synthase: Insights from the model organism, Neurospora crassa.
Arch.Biochem.Biophys., 590, 2015
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7C6L
 | | Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a closed state bound to cellotriose (Form II) | | 分子名称: | 1,2-ETHANEDIOL, CARBON DIOXIDE, CHLORIDE ION, ... | | 著者 | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | | 登録日 | 2020-05-21 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
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2R0U
 | | Crystal Structure of Chek1 in Complex with Inhibitor 54 | | 分子名称: | 6-(3-aminopropyl)-4-(3-hydroxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one, Serine/threonine-protein kinase Chk1 | | 著者 | Yan, Y, Ikuta, M. | | 登録日 | 2007-08-21 | | 公開日 | 2007-10-30 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Synthesis and evaluation of substituted benzoisoquinolinones as potent inhibitors of Chk1 kinase.
Bioorg.Med.Chem.Lett., 17, 2007
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6R4X
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3PA5
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4O18
 | | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors | | 分子名称: | 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | | 著者 | Oh, A, Coons, M, Brillantes, B, Wang, W. | | 登録日 | 2013-12-15 | | 公開日 | 2014-10-22 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
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4O1U
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2R14
 | | Structure of morphinone reductase in complex with tetrahydroNAD | | 分子名称: | 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN MONONUCLEOTIDE, Morphinone reductase | | 著者 | Costello, C.L, Scrutton, N.S, Leys, D. | | 登録日 | 2007-08-22 | | 公開日 | 2008-07-01 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Mutagenesis of morphinone reductase induces multiple reactive configurations and identifies potential ambiguity in kinetic analysis of enzyme tunneling mechanisms.
J.Am.Chem.Soc., 129, 2007
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7C66
 | | Crystal structure of beta-glycosides-binding protein of ABC transporter in a closed state bound to cellobiose | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | | 登録日 | 2020-05-21 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
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4ZWI
 | | Surface Lysine Acetylated Human Carbonic Anhydrase II in Complex with a Sulfamate-Based Inhibitor | | 分子名称: | (6R)-1-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Lomelino, C.L, Mahon, B.P, McKenna, M. | | 登録日 | 2015-05-19 | | 公開日 | 2015-08-26 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Observed surface lysine acetylation of human carbonic anhydrase II expressed in Escherichia coli.
Protein Sci., 24, 2015
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4O6G
 | | Rv3902c from M. tuberculosis | | 分子名称: | Uncharacterized protein | | 著者 | Reddy, B.G, Moates, D.B, Kim, H, Green, T.J, Kim, C, Terwilliger, T.J, Delucas, L.J, TB Structural Genomics Consortium (TBSGC) | | 登録日 | 2013-12-20 | | 公開日 | 2014-03-05 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | 1.55 angstrom resolution X-ray crystal structure of Rv3902c from Mycobacterium tuberculosis.
Acta Crystallogr F Struct Biol Commun, 70, 2014
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7VWD
 | | Crystal Structure of the Y53F/N55A mutant of LEH | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Qu, G, Li, X, Sun, Z.T, Han, X, Liu, W.D. | | 登録日 | 2021-11-10 | | 公開日 | 2023-01-18 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.153 Å) | | 主引用文献 | Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles.
Nat Commun, 13, 2022
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8SW4
 | | BG505 GT1.1 SOSIP in complex with NHP Fabs 21N13, 21M20 and RM20A3 | | 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, 21M20 heavy chain variable region, ... | | 著者 | Ozorowski, G, Torres, J.L, Zhang, S, Ward, A.B. | | 登録日 | 2023-05-17 | | 公開日 | 2024-05-29 | | 最終更新日 | 2025-06-04 | | 実験手法 | ELECTRON MICROSCOPY (2.85 Å) | | 主引用文献 | Germline-targeting HIV vaccination induces neutralizing antibodies to the CD4 binding site.
Sci Immunol, 9, 2024
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3FV8
 | | JNK3 bound to piperazine amide inhibitor, SR2774. | | 分子名称: | 1,2-ETHANEDIOL, 5-bromo-N-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide, Mitogen-activated protein kinase 10 | | 著者 | Habel, J.E. | | 登録日 | 2009-01-15 | | 公開日 | 2009-04-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Synthesis and SAR of piperazine amides as novel c-jun N-terminal kinase (JNK) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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6TC3
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9DWG
 | | DNA Polymerase Beta bound to a nucleosome containing a 1-nt gap at SHL-4.5 (State 1, composite) | | 分子名称: | 601 I strand (damaged strand 1), 601 J strand (non-damaged strand), 601 K strand (damaged strand 2), ... | | 著者 | Weaver, T.M, Ryan, B.J, Freudenthal, B.D. | | 登録日 | 2024-10-09 | | 公開日 | 2025-01-15 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | DNA Polymerase Beta bound to a nucleosome containing a 1-nt gap at SHL-4.5 (State 1, composite)
To Be Published
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6RCT
 | | Crystal structure of CLK3 in complex with T3-CLK | | 分子名称: | 1,2-ETHANEDIOL, 4-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-~{N}-(6-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzamide, Dual specificity protein kinase CLK3 | | 著者 | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2019-04-11 | | 公開日 | 2019-05-01 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | Crystal structure of CLK3 in complex with TP003
To Be Published
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2D17
 | | Solution RNA structure of stem-bulge-stem region of the HIV-1 dimerization initiation site | | 分子名称: | 5'-R(*CP*GP*GP*CP*AP*AP*GP*AP*GP*GP*CP*GP*AP*CP*CP*C)-3', 5'-R(*GP*GP*GP*UP*CP*GP*GP*CP*UP*UP*GP*CP*UP*G)-3' | | 著者 | Baba, S, Takahashi, K, Noguchi, S, Takaku, H, Koyanagi, Y, Yamamoto, N, Kawai, G. | | 登録日 | 2005-08-15 | | 公開日 | 2005-11-01 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution RNA structures of the HIV-1 dimerization initiation site in the kissing-loop and extended-duplex dimers.
J.Biochem.(Tokyo), 138, 2005
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4O1A
 | | The crystal structure of the mutant NAMPT G217R | | 分子名称: | 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | | 著者 | Oh, A, Coons, M, Brillantes, B, Wang, W. | | 登録日 | 2013-12-15 | | 公開日 | 2014-10-22 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
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5FLC
 | | Architecture of human mTOR Complex 1 - 5.9 Angstrom reconstruction | | 分子名称: | FKBP, RAPAMYCIN IMMUNOSUPPRESSANT DRUG, REGULATORY-ASSOCIATED PROTEIN OF MTOR, ... | | 著者 | Aylett, C.H.S, Sauer, E, Imseng, S, Boehringer, D, Hall, M.N, Ban, N, Maier, T. | | 登録日 | 2015-10-23 | | 公開日 | 2015-12-30 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (5.9 Å) | | 主引用文献 | Architecture of Human Mtor Complex 1
Science, 351, 2016
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1GJG
 | | Peptide Antagonist of IGFBP1, (i,i+8) Covalently Restrained Analog, Minimized Average Structure | | 分子名称: | IGFBP-1 antagonist, PENTANE | | 著者 | Skelton, N.J, Chen, Y.M, Dubree, N, Quan, C, Jackson, D.Y, Cochran, A.G, Zobel, K, Deshayes, K, Baca, M, Pisabarro, M.T, Lowman, H.B. | | 登録日 | 2001-05-11 | | 公開日 | 2001-05-30 | | 最終更新日 | 2024-11-13 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure-function analysis of a phage display-derived peptide that binds to insulin-like growth factor binding protein 1.
Biochemistry, 40, 2001
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6BDK
 | | Crystal structure of human CYP3A4 bound to an inhibitor | | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-2-(cyclopentylamino)-3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-(1H-indol-3-yl)propan-2-yl]carbamate | | 著者 | Sevrioukova, I. | | 登録日 | 2017-10-23 | | 公開日 | 2017-12-13 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | Inhibition of Human CYP3A4 by Rationally Designed Ritonavir-Like Compounds: Impact and Interplay of the Side Group Functionalities.
Mol Pharm., 15, 2018
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2YLL
 | | Inhibition of the pneumococcal virulence factor StrH and molecular insights into N-glycan recognition and hydrolysis | | 分子名称: | 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, BETA-N-ACETYLHEXOSAMINIDASE, ... | | 著者 | Pluvinage, B, Higgins, M.A, Abbott, D.W, Robb, C, Dalia, A.B, Deng, L, Weiser, J.N, Parsons, T.B, Fairbanks, A.J, Vocadlo, D.J, Boraston, A.B. | | 登録日 | 2011-06-02 | | 公開日 | 2011-09-21 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Inhibition of the Pneumococcal Virulence Factor Strh and Molecular Insights Into N-Glycan Recognition and Hydrolysis.
Structure, 19, 2011
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4M5R
 | | High-resolution influenza 2009 H1N1 endonuclease bound to 4-(1H-IMIDAZOL-1-YL)PHENOL | | 分子名称: | 1,2-ETHANEDIOL, 4-(1H-IMIDAZOL-1-YL)PHENOL, MANGANESE (II) ION, ... | | 著者 | Bauman, J.D, Patel, D, Das, K, Arnold, E. | | 登録日 | 2013-08-08 | | 公開日 | 2013-09-18 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Acs Chem.Biol., 8, 2013
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