Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PDB: 187 件
1F4G
DownloadVisualize
BU of 1f4g by Molmil
CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH SP-876
分子名称: GLYCEROL, N-[4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINYL]-3-AMINO-PROPANOIC ACID, SULFATE ION, ...
著者Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A.
登録日2000-06-07
公開日2000-06-22
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
1F4C
DownloadVisualize
BU of 1f4c by Molmil
CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE COVALENTLY MODIFIED AT C146 WITH N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL
分子名称: GLYCEROL, N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL, SULFATE ION, ...
著者Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A.
登録日2000-06-07
公開日2000-06-22
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
1F4E
DownloadVisualize
BU of 1f4e by Molmil
CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH TOSYL-D-PROLINE
分子名称: GLYCEROL, SULFATE ION, THYMIDYLATE SYNTHASE, ...
著者Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A.
登録日2000-06-07
公開日2000-06-22
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
1DN2
DownloadVisualize
BU of 1dn2 by Molmil
FC FRAGMENT OF HUMAN IGG1 IN COMPLEX WITH AN ENGINEERED 13 RESIDUE PEPTIDE DCAWHLGELVWCT-NH2
分子名称: ENGINEERED PEPTIDE, IMMUNOGLOBULIN LAMBDA HEAVY CHAIN, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者DeLano, W.L, Ultsch, M.H, de Vos, A.M, Wells, J.A.
登録日1999-12-15
公開日2000-05-17
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Convergent solutions to binding at a protein-protein interface.
Science, 287, 2000
1F4D
DownloadVisualize
BU of 1f4d by Molmil
CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE C146S, L143C COVALENTLY MODIFIED AT C143 WITH N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL
分子名称: GLYCEROL, N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL, SULFATE ION, ...
著者Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A.
登録日2000-06-07
公開日2000-06-22
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
3ORZ
DownloadVisualize
BU of 3orz by Molmil
PDK1 mutant bound to allosteric disulfide fragment activator 2A2
分子名称: 3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-2,5-DIONE, 3-phosphoinositide-dependent protein kinase 1, 4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutane-1-thiol
著者Sadowsky, J.D, Wells, J.A.
登録日2010-09-08
公開日2011-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9995 Å)
主引用文献Turning a protein kinase on or off from a single allosteric site via disulfide trapping.
Proc.Natl.Acad.Sci.USA, 108, 2011
3ORX
DownloadVisualize
BU of 3orx by Molmil
PDK1 mutant bound to allosteric disulfide fragment inhibitor 1F8
分子名称: 2-methyl-N-(2-sulfanylethyl)-1-benzofuran-3-carboxamide, 3-phosphoinositide-dependent protein kinase 1, CHLORIDE ION
著者Sadowsky, J.D, Wells, J.A.
登録日2010-09-08
公開日2011-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2044 Å)
主引用文献Turning a protein kinase on or off from a single allosteric site via disulfide trapping.
Proc.Natl.Acad.Sci.USA, 108, 2011
2H4W
DownloadVisualize
BU of 2h4w by Molmil
Crystal structure of human caspase-1 (Glu390->Asp) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
分子名称: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
著者Scheer, J.M, Wells, J.A, Romanowski, M.J.
登録日2006-05-25
公開日2008-03-11
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献An allosteric circuit in caspase-1.
J.Mol.Biol., 381, 2008
2HBR
DownloadVisualize
BU of 2hbr by Molmil
Crystal structure of human caspase-1 (Arg286->Ala) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
分子名称: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
著者Scheer, J.M, Wells, J.A, Romanowski, M.J.
登録日2006-06-14
公開日2006-06-27
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A Common Allosteric Site and Mechanism in Caspases
Proc.Natl.Acad.Sci.USA, 103, 2006
2HBZ
DownloadVisualize
BU of 2hbz by Molmil
Crystal structure of human caspase-1 (Arg286->Ala, Glu390->Ala) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
分子名称: Caspase-1, PHQ-VAD-fluoromethylketone inhibitor
著者Scheer, J.M, Wells, J.A, Romanowski, M.J.
登録日2006-06-14
公開日2006-06-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Common Allosteric Site and Mechanism in Caspases
Proc.Natl.Acad.Sci.USA, 103, 2006
2HBY
DownloadVisualize
BU of 2hby by Molmil
Crystal structure of human caspase-1 (Glu390->Ala) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
分子名称: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
著者Scheer, J.M, Wells, J.A, Romanowski, M.J.
登録日2006-06-14
公開日2006-06-27
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Common Allosteric Site and Mechanism in Caspases
Proc.Natl.Acad.Sci.USA, 103, 2006
2FQQ
DownloadVisualize
BU of 2fqq by Molmil
Crystal structure of human caspase-1 (Cys285->Ala, Cys362->Ala, Cys364->Ala, Cys397->Ala) in complex with 1-methyl-3-trifluoromethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid (2-mercapto-ethyl)-amide
分子名称: 1-METHYL-3-TRIFLUOROMETHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID (2-MERCAPTO-ETHYL)-AMIDE, Caspase-1
著者Scheer, J.M, Wells, J.A, Romanowski, M.J.
登録日2006-01-18
公開日2006-05-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献A common allosteric site and mechanism in caspases
Proc.Natl.Acad.Sci.USA, 103, 2006
1M4B
DownloadVisualize
BU of 1m4b by Molmil
Crystal Structure of Human Interleukin-2 K43C Covalently Modified at C43 with 2-[2-(2-Cyclohexyl-2-guanidino-acetylamino)-acetylamino]-N-(3-mercapto-propyl)-propionamide
分子名称: 2-[2-(2-CYCLOHEXYL-2-GUANIDINO-ACETYLAMINO)-ACETYLAMINO]-N-(3-MERCAPTO-PROPYL)-PROPIONAMIDE, interleukin-2
著者Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C.
登録日2002-07-02
公開日2002-07-31
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Binding of small molecules to an adaptive protein-protein interface
Proc.Natl.Acad.Sci.USA, 100, 2003
1PW6
DownloadVisualize
BU of 1pw6 by Molmil
Low Micromolar Small Molecule Inhibitor of IL-2
分子名称: 2-CYCLOHEXYL-N-(2-{4-[5-(2,3-DICHLORO-PHENYL)-2H-PYRAZOL-3-YL]-PIPERIDIN-1-YL}-2-OXO-ETHYL)-2-GUANIDINO-ACETAMIDE, Interleukin-2, SULFATE ION
著者Thanos, C.D, Randal, M, Wells, J.A.
登録日2003-06-30
公開日2004-01-13
最終更新日2018-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Potent small-molecule binding to a dynamic hot spot on IL-2.
J.Am.Chem.Soc., 125, 2003
1PY2
DownloadVisualize
BU of 1py2 by Molmil
Structure of a 60 nM Small Molecule Bound to a Hot Spot on IL-2
分子名称: 5-[2,3-DICHLORO-4-(5-{1-[2-(2-GUANIDINO-4-METHYL-PENTANOYLAMINO)-ACETYL]-PIPERIDIN-4-YL}-1-METHYL-1H-PYRAZOL-3-YL)-PHENOXYMETHYL]-FURAN-2-CARBOXYLIC ACID, Interleukin-2, ZINC ION
著者Thanos, C.D, Randal, M, Wells, J.A.
登録日2003-07-07
公開日2004-01-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Potent small-molecule binding to a dynamic hot spot on IL-2.
J.Am.Chem.Soc., 125, 2003
2HBQ
DownloadVisualize
BU of 2hbq by Molmil
Crystal structure of wildtype human caspase-1 in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
分子名称: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
著者Scheer, J.M, Wells, J.A, Romanowski, M.J.
登録日2006-06-14
公開日2006-06-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A Common Allosteric Site and Mechanism in Caspases
Proc.Natl.Acad.Sci.USA, 103, 2006
2H48
DownloadVisualize
BU of 2h48 by Molmil
Crystal structure of human caspase-1 (Cys362->Ala, Cys364->Ala, Cys397->Ala) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
分子名称: Caspase 1, isoform gamma, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
著者Scheer, J.M, Wells, J.A, Romanowski, M.J.
登録日2006-05-23
公開日2006-06-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A common allosteric site and mechanism in caspases
Proc.Natl.Acad.Sci.USA, 103, 2006
2H54
DownloadVisualize
BU of 2h54 by Molmil
Crystal structure of human caspase-1 (Thr388->Ala) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
分子名称: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
著者Scheer, J.M, Wells, J.A, Romanowski, M.J.
登録日2006-05-25
公開日2008-03-11
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An allosteric circuit in caspase-1.
J.Mol.Biol., 381, 2008
1M4A
DownloadVisualize
BU of 1m4a by Molmil
Crystal Structure of Human Interleukin-2 Y31C Covalently Modified at C31 with (1H-Indol-3-yl)-(2-mercapto-ethoxyimino)-acetic acid
分子名称: (1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-ACETIC ACID, GLYCEROL, interleukin-2
著者Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C.
登録日2002-07-02
公開日2002-07-31
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Binding of small molecules to an adaptive protein-protein interface
Proc.Natl.Acad.Sci.USA, 100, 2003
3OTU
DownloadVisualize
BU of 3otu by Molmil
PDK1 mutant bound to allosteric disulfide fragment activator JS30
分子名称: 3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-2,5-DIONE, 3-phosphoinositide-dependent protein kinase 1, 4-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-oxobutane-1-thiol, ...
著者Sadowsky, J.D, Wells, J.A.
登録日2010-09-13
公開日2011-03-23
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.1013 Å)
主引用文献Turning a protein kinase on or off from a single allosteric site via disulfide trapping.
Proc.Natl.Acad.Sci.USA, 108, 2011
1QVN
DownloadVisualize
BU of 1qvn by Molmil
Structure of SP4160 Bound to IL-2 V69A
分子名称: 2-GUANIDINO-4-METHYL-PENTANOIC ACID [2-(4-{5-[4-(4-ACETYLAMINO-BENZYLOXY)-2,3-DICHLORO-PHENYL]-2-METHYL-2H-PYRAZOL-3-YL}-PIPERIDIN-1-YL)-2-OXO-ETHYL]-AMIDE, Interleukin-2, ZINC ION
著者Thanos, C.D, Delano, W.L, Wells, J.A.
登録日2003-08-28
公開日2005-04-05
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Hot-spot mimicry of a cytokine receptor by a small molecule.
Proc.Natl.Acad.Sci.USA, 103, 2006
1M48
DownloadVisualize
BU of 1m48 by Molmil
Crystal Structure of Human IL-2 Complexed with (R)-N-[2-[1-(Aminoiminomethyl)-3-piperidinyl]-1-oxoethyl]-4-(phenylethynyl)-L-phenylalanine methyl ester
分子名称: 2-[3-METHYL-4-(N-METHYL-GUANIDINO)-BUTYRYLAMINO]-3-(4-PHENYLETHYNYL-PHENYL)-PROPIONIC ACID METHYL ESTER, interleukin-2
著者Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C.
登録日2002-07-02
公開日2002-07-31
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Binding of small molecules to an adaptive protein-protein interface
Proc.Natl.Acad.Sci.USA, 100, 2003
1M4C
DownloadVisualize
BU of 1m4c by Molmil
Crystal Structure of Human Interleukin-2
分子名称: interleukin-2
著者Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C.
登録日2002-07-02
公開日2002-07-31
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Binding of small molecules to an adaptive protein-protein interface
Proc.Natl.Acad.Sci.USA, 100, 2003
1M49
DownloadVisualize
BU of 1m49 by Molmil
Crystal Structure of Human Interleukin-2 Complexed with SP-1985
分子名称: 2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER, interleukin-2
著者Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C.
登録日2002-07-02
公開日2002-07-31
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Binding of small molecules to an adaptive protein-protein interface
Proc.Natl.Acad.Sci.USA, 100, 2003
2H4Y
DownloadVisualize
BU of 2h4y by Molmil
Crystal structure of human caspase-1 (Arg286->Lys) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
分子名称: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
著者Scheer, J.M, Wells, J.A, Romanowski, M.J.
登録日2006-05-25
公開日2008-03-11
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献An allosteric circuit in caspase-1.
J.Mol.Biol., 381, 2008

226707

件を2024-10-30に公開中

PDB statisticsPDBj update infoContact PDBjnumon