4JPA
 
 | | Mmp13 in complex with a piperazine hydantoin ligand | | 分子名称: | 3-[({2-[4-({[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl}sulfonyl)piperazin-1-yl]pyrimidin-5-yl}oxy)methyl]benzonitrile, CALCIUM ION, Collagenase 3, ... | | 著者 | Gerhardt, S, Hargreaves, D. | | 登録日 | 2013-03-19 | | 公開日 | 2014-03-05 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Hydantoin based inhibitors of MMP13--discovery of AZD6605.
Bioorg.Med.Chem.Lett., 23, 2013
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2PLV
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1GKD
 | | MMP9 active site mutant-inhibitor complex | | 分子名称: | 2-AMINO-N,3,3-TRIMETHYLBUTANAMIDE, 2-{[FORMYL(HYDROXY)AMINO]METHYL}-4-METHYLPENTANOIC ACID, 92 KDA TYPE IV COLLAGENASE, ... | | 著者 | Rowsell, S, Pauptit, R.A. | | 登録日 | 2001-08-10 | | 公開日 | 2002-05-16 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal Structure of Mmp9 in Complex with a Reverse Hydroxamate Inhibitor
J.Mol.Biol., 319, 2002
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1GKC
 | | MMP9-inhibitor complex | | 分子名称: | 92 KDA TYPE IV COLLAGENASE, CALCIUM ION, N~2~-[(2R)-2-{[formyl(hydroxy)amino]methyl}-4-methylpentanoyl]-N,3-dimethyl-L-valinamide, ... | | 著者 | Rowsell, S, Pauptit, R.A. | | 登録日 | 2001-08-10 | | 公開日 | 2002-05-16 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal Structure of Mmp9 in Complex with a Reverse Hydroxamate Inhibitor
J.Mol.Biol., 319, 2002
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4N6T
 | | Adhiron: a stable and versatile peptide display scaffold - full length adhiron | | 分子名称: | Adhiron | | 著者 | Mcpherson, M, Tomlinson, D, Owen, R.L, Nettleship, J.E, Owens, R.J. | | 登録日 | 2013-10-14 | | 公開日 | 2014-04-09 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Adhiron: a stable and versatile peptide display scaffold for molecular recognition applications.
Protein Eng.Des.Sel., 27, 2014
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4JP4
 | | Mmp13 in complex with a reverse hydroxamate Zn-binder | | 分子名称: | CALCIUM ION, Collagenase 3, N-[(2S)-4-(5-fluoropyrimidin-2-yl)-1-({4-[5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]piperazin-1-yl}sulfonyl)butan-2-yl]-N-hydroxyformamide, ... | | 著者 | Gerhardt, S, Hargreaves, D. | | 登録日 | 2013-03-19 | | 公開日 | 2014-03-05 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Hydantoin based inhibitors of MMP13--discovery of AZD6605.
Bioorg.Med.Chem.Lett., 23, 2013
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4N6U
 | | Adhiron: a stable and versatile peptide display scaffold - truncated adhiron | | 分子名称: | Adhiron | | 著者 | Mcpherson, M, Tomlinson, D, Owen, R.L, Nettleship, J.E, Owens, R.J. | | 登録日 | 2013-10-14 | | 公開日 | 2014-04-09 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.251 Å) | | 主引用文献 | Adhiron: a stable and versatile peptide display scaffold for molecular recognition applications.
Protein Eng.Des.Sel., 27, 2014
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3ICS
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3ILQ
 | | Structure of mCD1d with bound glycolipid BbGL-2c from Borrelia burgdorferi | | 分子名称: | (2S)-3-(alpha-D-galactopyranosyloxy)-2-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoate, 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 | Zajonc, D.M. | | 登録日 | 2009-08-07 | | 公開日 | 2010-01-26 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Lipid binding orientation within CD1d affects recognition of Borrelia burgorferi antigens by NKT cells.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3ICR
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3ILP
 | | Structure of mCD1d with bound glycolipid BbGL-2f from Borrelia burgdorferi | | 分子名称: | (2S)-3-(alpha-D-galactopyranosyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl (9Z,12Z)-octadeca-9,12-dienoate, 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 | Zajonc, D.M. | | 登録日 | 2009-08-07 | | 公開日 | 2010-01-26 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Lipid binding orientation within CD1d affects recognition of Borrelia burgorferi antigens by NKT cells.
Proc.Natl.Acad.Sci.USA, 107, 2010
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1YKR
 | | Crystal structure of cdk2 with an aminoimidazo pyridine inhibitor | | 分子名称: | 4-{[6-(2,6-DICHLOROBENZOYL)IMIDAZO[1,2-A]PYRIDIN-2-YL]AMINO}BENZENESULFONAMIDE, Cell division protein kinase 2 | | 著者 | Hamdouchi, C, Zhong, B, Mendoza, J, Jaramillo, C, Zhang, F, Brooks, H.B. | | 登録日 | 2005-01-18 | | 公開日 | 2006-01-24 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure-based design of a new class of highly selective aminoimidazo[1,2-a]pyridine-based inhibitors of cyclin dependent kinases
Bioorg.Med.Chem.Lett., 15, 2005
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3ICT
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5UY8
 | | Crystal structure of AICARFT bound to an antifolate | | 分子名称: | 5-[(5S)-5-ethyl-5-methyl-6-oxo-1,4,5,6-tetrahydropyridin-3-yl]-N-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)thiophene-2-sulfonamide, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Bifunctional purine biosynthesis protein PURH, ... | | 著者 | Wang, J, Wang, Y, Fales, K.R, Atwell, S, Clawson, D. | | 登録日 | 2017-02-23 | | 公開日 | 2018-01-10 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Discovery of N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide (LSN 3213128), a Potent and Selective Nonclassical Antifolate Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase (AICARFT) Inhibitor Effective at Tumor Suppression in a Cancer Xenograft Model.
J. Med. Chem., 60, 2017
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5UZ0
 | | Crystal structure of AICARFT bound to an antifolate | | 分子名称: | AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Bifunctional purine biosynthesis protein PURH, MAGNESIUM ION, ... | | 著者 | Atwell, S, Wang, Y, Fales, K.R, Clawson, D, Wang, J. | | 登録日 | 2017-02-24 | | 公開日 | 2018-01-10 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Discovery of N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide (LSN 3213128), a Potent and Selective Nonclassical Antifolate Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase (AICARFT) Inhibitor Effective at Tumor Suppression in a Cancer Xenograft Model.
J. Med. Chem., 60, 2017
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3UPU
 | | Crystal structure of the T4 Phage SF1B Helicase Dda | | 分子名称: | 5'-D(*TP*TP*TP*TP*TP*TP*TP*T)-3', ATP-dependent DNA helicase dda | | 著者 | He, X, Yun, M.K, Pemble IV, C.W, Kreuzer, K.N, Raney, K.D, White, S.W. | | 登録日 | 2011-11-18 | | 公開日 | 2012-06-20 | | 最終更新日 | 2017-11-08 | | 実験手法 | X-RAY DIFFRACTION (3.299 Å) | | 主引用文献 | The T4 Phage SF1B Helicase Dda Is Structurally Optimized to Perform DNA Strand Separation.
Structure, 20, 2012
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1FIH
 | | N-ACETYLGALACTOSAMINE BINDING MUTANT OF MANNOSE-BINDING PROTEIN A (QPDWG-HDRPY), COMPLEX WITH N-ACETYLGALACTOSAMINE | | 分子名称: | 2-acetamido-2-deoxy-beta-D-galactopyranose, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Feinberg, H, Torgerson, D, Drickamer, K, Weis, W.I. | | 登録日 | 2000-08-03 | | 公開日 | 2000-08-23 | | 最終更新日 | 2021-11-03 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Mechanism of pH-dependent N-acetylgalactosamine binding by a functional mimic of the hepatocyte asialoglycoprotein receptor.
J.Biol.Chem., 275, 2000
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1FV9
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3T8W
 | | A bestatin-based chemical biology strategy reveals distinct roles for malaria M1- and M17-family aminopeptidases | | 分子名称: | CARBONATE ION, M17 leucyl aminopeptidase, N-((2R,3S,6S,18S,21S)-2-amino-18-(4-benzoylbenzyl)-21-carbamoyl-3-hydroxy-6-(naphthalen-2-ylmethyl)-4,7,16,19-tetraoxo-1-phenyl-11,14-dioxa-5,8,17,20-tetraazapentacosan-25-yl)hex-5-ynamide, ... | | 著者 | McGowan, S, Klemba, M, Greebaum, D.C. | | 登録日 | 2011-08-01 | | 公開日 | 2011-09-28 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Bestatin-based chemical biology strategy reveals distinct roles for malaria M1- and M17-family aminopeptidases
Proc.Natl.Acad.Sci.USA, 108, 2011
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3T8V
 | | A bestatin-based chemical biology strategy reveals distinct roles for malaria M1- and M17-family aminopeptidases | | 分子名称: | M1 family aminopeptidase, MAGNESIUM ION, N-[(2-{2-[(N-{(2S,3R)-3-amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-L-alanyl)amino]ethoxy}ethoxy)acetyl]-4-benzoyl-L-phenylalanyl-N~6~-hex-5-ynoyllysinamide, ... | | 著者 | McGowan, S, Klemba, M, Greebaum, D.C. | | 登録日 | 2011-08-01 | | 公開日 | 2011-09-28 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Bestatin-based chemical biology strategy reveals distinct roles for malaria M1- and M17-family aminopeptidases
Proc.Natl.Acad.Sci.USA, 108, 2011
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1RPV
 | | HIV-1 REV PROTEIN (RESIDUES 34-50) | | 分子名称: | HIV-1 REV PROTEIN | | 著者 | Scanlon, M.J, Fairlie, D.P, Craik, D.J, Englebretsen, D.R, West, M.L. | | 登録日 | 1995-05-04 | | 公開日 | 1995-10-15 | | 最終更新日 | 2022-03-02 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR solution structure of the RNA-binding peptide from human immunodeficiency virus (type 1) Rev.
Biochemistry, 34, 1995
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1ETG
 | | REV RESPONSE ELEMENT (RRE) RNA COMPLEXED WITH REV PEPTIDE, NMR, 19 STRUCTURES | | 分子名称: | REV PEPTIDE, REV RESPONSIVE ELEMENT RNA | | 著者 | Battiste, J.L, Mao, H, Rao, N.S, Tan, R, Muhandiram, D.R, Kay, L.E, Frankel, A.D, Willamson, J.R. | | 登録日 | 1996-08-28 | | 公開日 | 1997-03-12 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Alpha helix-RNA major groove recognition in an HIV-1 rev peptide-RRE RNA complex.
Science, 273, 1996
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1ETF
 | | REV RESPONSE ELEMENT (RRE) RNA COMPLEXED WITH REV PEPTIDE, NMR, MINIMIZED AVERAGE STRUCTURE | | 分子名称: | REV PEPTIDE, REV RESPONSE ELEMENT RNA | | 著者 | Battiste, J.L, Mao, H, Rao, N.S, Tan, R, Muhandiram, D.R, Kay, L.E, Frankel, A.D, Willamson, J.R. | | 登録日 | 1996-08-28 | | 公開日 | 1997-03-12 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Alpha helix-RNA major groove recognition in an HIV-1 rev peptide-RRE RNA complex.
Science, 273, 1996
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1IJR
 | | Crystal structure of LCK SH2 complexed with nonpeptide phosphotyrosine mimetic | | 分子名称: | (4-{2-ACETYLAMINO-2-[1-(3-CARBAMOYL-4-CYCLOHEXYLMETHOXY-PHENYL)-ETHYLCARBAMOYL}-ETHYL}-2-PHOSPHONO-PHENOXY)-ACETIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE LCK | | 著者 | Kawahata, N.H, Yang, M.H, Luke, G.P, Shakespeare, W.C, Sundaramoorthi, R. | | 登録日 | 2001-04-27 | | 公開日 | 2002-05-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | A novel phosphotyrosine mimetic 4'-carboxymethyloxy-3'-phosphonophenylalanine (Cpp): exploitation in the design of nonpeptide inhibitors of pp60(Src) SH2 domain.
Bioorg.Med.Chem.Lett., 11, 2001
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2BC0
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