1K5G
 
 | | Crystal structure of Ran-GDP-AlFx-RanBP1-RanGAP complex | | 分子名称: | ALUMINUM FLUORIDE, GTP-binding nuclear protein RAN, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Seewald, M.J, Koerner, C, Wittinghofer, A, Vetter, I.R. | | 登録日 | 2001-10-10 | | 公開日 | 2002-02-13 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | RanGAP mediates GTP hydrolysis without an arginine finger.
Nature, 415, 2002
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1K5D
 | | Crystal structure of Ran-GPPNHP-RanBP1-RanGAP complex | | 分子名称: | GTP-binding nuclear protein RAN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | 著者 | Seewald, M.J, Koerner, C, Wittinghofer, A, Vetter, I.R. | | 登録日 | 2001-10-10 | | 公開日 | 2002-02-13 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | RanGAP mediates GTP hydrolysis without an arginine finger.
Nature, 415, 2002
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1HPX
 | | HIV-1 PROTEASE COMPLEXED WITH THE INHIBITOR KNI-272 | | 分子名称: | (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide, HIV-1 PROTEASE | | 著者 | Bhat, T.N, Erickson, J.W. | | 登録日 | 1995-05-18 | | 公開日 | 1996-03-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure of HIV-1 protease with KNI-272, a tight-binding transition-state analog containing allophenylnorstatine.
Structure, 3, 1995
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1ZYJ
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1ZZ2
 | | Two Classes of p38alpha MAP Kinase Inhibitors Having a Common Diphenylether Core but Exhibiting Divergent Binding Modes | | 分子名称: | Mitogen-activated protein kinase 14, N-[3-(4-FLUOROPHENOXY)PHENYL]-4-[(2-HYDROXYBENZYL)AMINO]PIPERIDINE-1-SULFONAMIDE, octyl beta-D-glucopyranoside | | 著者 | Michelotti, E.L, Moffett, K.K, Springman, E.B, Karpusas, M. | | 登録日 | 2005-06-13 | | 公開日 | 2005-10-18 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Two classes of p38alpha MAP kinase inhibitors having a common diphenylether core but exhibiting divergent binding modes.
Bioorg.Med.Chem.Lett., 15, 2005
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7BUL
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7FB7
 | | Crystal structure of human UHRF1 TTD in complex with 5-amino-2,4-dimethylpyridine | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-amino-2,4-dimethylpyridine, DIMETHYL SULFOXIDE, ... | | 著者 | Kori, S, Arita, K, Yoshimi, S. | | 登録日 | 2021-07-08 | | 公開日 | 2022-01-05 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Structure-based screening combined with computational and biochemical analyses identified the inhibitor targeting the binding of DNA Ligase 1 to UHRF1.
Bioorg.Med.Chem., 52, 2021
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2DS1
 | | Human cyclin dependent kinase 2 complexed with the CDK4 inhibitor | | 分子名称: | (13R,15S)-13-METHYL-16-OXA-8,9,12,22,24-PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA-1(24),2,4,6,17(25 ),18,20-HEPTAENE-23,26-DIONE, Cell division protein kinase 2 | | 著者 | Ikuta, M. | | 登録日 | 2006-06-17 | | 公開日 | 2007-06-19 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure-based drug design of a highly potent CDK1,2,4,6 inhibitor with novel macrocyclic quinoxalin-2-one structure
Bioorg.Med.Chem.Lett., 16, 2006
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3VUC
 | | Human renin in complex with compound 5 | | 分子名称: | (2R,4S,5S)-5-amino-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-2-ethyl-4-hydroxy-N-[(1R,2S,3S,5S,7S)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]hexanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | | 著者 | Takahashi, M, Matsui, Y, Hanzawa, H. | | 登録日 | 2012-06-26 | | 公開日 | 2013-05-15 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of DS-8108b, a Novel Orally Bioavailable Renin Inhibitor.
Acs Med.Chem.Lett., 3, 2012
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3X27
 | | Structure of McbB in complex with tryptophan | | 分子名称: | Cucumopine synthase, TRYPTOPHAN | | 著者 | Mori, T, Sahashi, S, Morita, H, Abe, I. | | 登録日 | 2014-12-10 | | 公開日 | 2015-10-28 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.481 Å) | | 主引用文献 | Structural Basis for beta-Carboline Alkaloid Production by the Microbial Homodimeric Enzyme McbB
Chem.Biol., 22, 2015
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3ANS
 | | Human soluble epoxide hydrolase in complex with a synthetic inhibitor | | 分子名称: | 4-cyano-N-[(1S,2R)-2-phenylcyclopropyl]benzamide, Epoxide hydrolase 2 | | 著者 | Chiyo, N, Ishii, T, Hourai, S, Yanagi, K. | | 登録日 | 2010-09-08 | | 公開日 | 2011-01-19 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | A practical use of ligand efficiency indices out of the fragment-based approach: ligand efficiency-guided lead identification of soluble epoxide hydrolase inhibitors
J.Med.Chem., 54, 2011
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3ANT
 | | Human soluble epoxide hydrolase in complex with a synthetic inhibitor | | 分子名称: | 4-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide, Epoxide hydrolase 2 | | 著者 | Chiyo, N, Ishii, T, Hourai, S, Yanagi, K. | | 登録日 | 2010-09-08 | | 公開日 | 2011-01-19 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | A practical use of ligand efficiency indices out of the fragment-based approach: ligand efficiency-guided lead identification of soluble epoxide hydrolase inhibitors
J.Med.Chem., 54, 2011
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3AWK
 | | Crystal structure of the polyketide synthase 1 from huperzia serrata | | 分子名称: | Chalcone synthase-like polyketide synthase, GLYCEROL, SULFATE ION | | 著者 | Morita, H, Kondo, S, Kato, R, Sugio, S, Kohno, T, Abe, I. | | 登録日 | 2011-03-23 | | 公開日 | 2011-08-31 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Synthesis of unnatural alkaloid scaffolds by exploiting plant polyketide synthase.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3AWJ
 | | Crystal structure of the Huperzia serrata polyketide synthase 1 complexed with CoA-SH | | 分子名称: | COENZYME A, Chalcone synthase-like polyketide synthase, SULFATE ION | | 著者 | Morita, H, Kondo, S, Kato, R, Sugio, S, Kohno, T, Abe, I. | | 登録日 | 2011-03-23 | | 公開日 | 2011-08-31 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Synthesis of unnatural alkaloid scaffolds by exploiting plant polyketide synthase.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3A1H
 | | Crystal Structure Analysis of the Collagen-like Peptide, (PPG)4-OTG-(PPG)4 | | 分子名称: | collagen-like peptide | | 著者 | Okuyama, K, Miyama, K, Mizuno, K, Bachinger, H.P. | | 登録日 | 2009-04-03 | | 公開日 | 2010-03-23 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | | 主引用文献 | Stabilization of triple-helical structures of collagen peptides containing a Hyp-Thr-Gly, Hyp-Val-Gly, or Hyp-Ser-Gly sequence.
Biopolymers, 95, 2011
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3ADM
 | | Crystal structure of (Pro-Pro-Gly)4-Hyp-Ser-Gly-(Pro-Pro-Gly)4 | | 分子名称: | collagen-like peptide | | 著者 | Okuyama, K, Miyama, K, Masakiyo, K, Mizuno, K, Bachinger, H.P. | | 登録日 | 2010-01-22 | | 公開日 | 2011-01-19 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Stabilization of triple-helical structures of collagen peptides containing a Hyp-Thr-Gly, Hyp-Val-Gly, or Hyp-Ser-Gly sequence.
Biopolymers, 95, 2011
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