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PDB: 39 件
4ANM
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Complex of CK2 with a CDC7 inhibitor
分子名称: 8-BROMANYL-2-[[(3S)-3-OXIDANYLPYRROLIDIN-1-YL]METHYL]-3H-[1]BENZOFURO[3,2-D]PYRIMIDIN-4-ONE, CASEIN KINASE II SUBUNIT ALPHA
著者Stout, T.J.
登録日2012-03-20
公開日2012-05-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of Xl413, a Potent and Selective Cdc7 Inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
4ALU
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Benzofuropyrimidinone Inhibitors of Pim-1
分子名称: 8-bromo-2-(2-chlorophenyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one, IMIDAZOLE, SERINE/THREONINE-PROTEIN KINASE PIM-1
著者Stout, T.J, Adams, L.
登録日2012-03-05
公開日2013-01-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4ALW
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Benzofuropyrimidinone Inhibitors of Pim-1
分子名称: 8-BROMANYL-2-[(4-METHYLPIPERAZIN-1-YL)METHYL]-3H-[1]BENZOFURO[3,2-D]PYRIMIDIN-4-ONE, IMIDAZOLE, PIM-1 KINASE
著者Stout, T.J, Adams, L.
登録日2012-03-05
公開日2013-01-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4ALV
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Benzofuropyrimidinone Inhibitors of Pim-1
分子名称: 8-bromo-2-{2-chloro-4-[(piperidin-4-ylmethyl)amino]phenyl}[1]benzofuro[3,2-d]pyrimidin-4(3H)-one, IMIDAZOLE, SERINE/THREONINE-PROTEIN KINASE PIM-1
著者Stout, T.J, Adams, L.
登録日2012-03-05
公開日2013-01-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
1AN5
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BU of 1an5 by Molmil
E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH CB3717
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, PHOSPHATE ION, THYMIDYLATE SYNTHASE
著者Stout, T.J, Sage, C.R, Stroud, R.M.
登録日1997-06-26
公開日1998-07-01
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The additivity of substrate fragments in enzyme-ligand binding.
Structure, 6, 1998
1BID
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BU of 1bid by Molmil
E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH DUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
著者Stout, T.J, Sage, C.R, Stroud, R.M.
登録日1997-06-27
公開日1998-07-01
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The additivity of substrate fragments in enzyme-ligand binding.
Structure, 6, 1998
1AOB
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E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH DDURD
分子名称: 2'-5'DIDEOXYURIDINE, FORMIC ACID, PHOSPHATE ION, ...
著者Stout, T.J, Sage, C.R, Stroud, R.M.
登録日1997-06-30
公開日1998-07-01
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The additivity of substrate fragments in enzyme-ligand binding.
Structure, 6, 1998
1BDU
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BU of 1bdu by Molmil
E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH DURD
分子名称: 2'-DEOXYURIDINE, PHOSPHATE ION, THYMIDYLATE SYNTHASE
著者Stout, T.J, Sage, C.R, Stroud, R.M.
登録日1997-06-27
公開日1998-07-01
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The additivity of substrate fragments in enzyme-ligand binding.
Structure, 6, 1998
1BKO
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THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS
分子名称: THYMIDYLATE SYNTHASE A
著者Stout, T.J, Schellenberger, U, Santi, D.V, Stroud, R.M.
登録日1998-07-09
公開日1999-02-02
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal structures of a unique thermal-stable thymidylate synthase from Bacillus subtilis.
Biochemistry, 37, 1998
1AXW
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E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH METHOTREXATE (MTX) AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, METHOTREXATE, THYMIDYLATE SYNTHASE
著者Stout, T.J, Sage, C.R, Stroud, R.M.
登録日1997-10-23
公開日1998-10-28
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of Thymidylate Synthase Inhibitors Using Flexible Docking and an Empirically Tuned Scoring Function
To be Published
1BSF
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THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS
分子名称: THYMIDYLATE SYNTHASE A
著者Stout, T.J, Schellenberger, U, Santi, D.V, Stroud, R.M.
登録日1998-07-10
公開日1999-01-13
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of a unique thermal-stable thymidylate synthase from Bacillus subtilis.
Biochemistry, 37, 1998
1BKP
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THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS
分子名称: THYMIDYLATE SYNTHASE A
著者Stout, T.J, Schellenberger, U, Santi, D.V, Stroud, R.M.
登録日1998-07-09
公開日1999-02-02
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of a unique thermal-stable thymidylate synthase from Bacillus subtilis.
Biochemistry, 37, 1998
1SYN
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E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH BW1843U89 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID, THYMIDYLATE SYNTHASE
著者Stout, T.J, Stroud, R.M.
登録日1995-09-19
公開日1996-01-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The complex of the anti-cancer therapeutic, BW1843U89, with thymidylate synthase at 2.0 A resolution: implications for a new mode of inhibition.
Structure, 4, 1996
1TDU
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BU of 1tdu by Molmil
E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH CB3717 AND 2'-DEOXYURIDINE (DURD)
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE, PHOSPHATE ION, ...
著者Stout, T.J, Sage, C.R, Stroud, R.M.
登録日1997-06-25
公開日1998-07-01
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The additivity of substrate fragments in enzyme-ligand binding.
Structure, 6, 1998
1TRG
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BU of 1trg by Molmil
E. COLI THYMIDYLATE SYNTHASE IN SYMMETRIC COMPLEX WITH CB3717 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
著者Stout, T.J, Sage, C.R, Stroud, R.M.
登録日1998-05-21
公開日1998-08-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The additivity of substrate fragments in enzyme-ligand binding.
Structure, 6, 1998
1TSL
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BU of 1tsl by Molmil
L. CASEI THYMIDYLATE SYNTHASE WITH SPECIES SPECIFIC INHIBITOR
分子名称: 3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN-1-ONE, PHOSPHATE ION, THYMIDYLATE SYNTHASE
著者Stout, T.J, Stroud, R.M.
登録日1997-06-12
公開日1998-06-17
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-based design of inhibitors specific for bacterial thymidylate synthase.
Biochemistry, 38, 1999
1TSM
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L. CASEI THYMIDYLATE SYNTHASE WITH SPECIES SPECIFIC INHIBITOR
分子名称: 3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-1-ONE, PHOSPHATE ION, THYMIDYLATE SYNTHASE
著者Stout, T.J, Stroud, R.M.
登録日1997-06-12
公開日1998-06-17
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure-based design of inhibitors specific for bacterial thymidylate synthase.
Biochemistry, 38, 1999
1TJS
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E. COLI THYMIDYLATE SYNTHASE
分子名称: PHOSPHATE ION, THYMIDYLATE SYNTHASE
著者Stout, T.J, Sage, C.R, Stroud, R.M.
登録日1997-06-27
公開日1998-07-01
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The additivity of substrate fragments in enzyme-ligand binding.
Structure, 6, 1998
1DVM
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BU of 1dvm by Molmil
ACTIVE FORM OF HUMAN PAI-1
分子名称: CHLORIDE ION, PLASMINOGEN ACTIVATOR INHIBITOR-1
著者Stout, T.J, Graham, H, Buckley, D.I, Matthews, D.J.
登録日2000-01-21
公開日2000-09-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of active and latent PAI-1: a possible stabilizing role for chloride ions.
Biochemistry, 39, 2000
1DDU
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E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH CB3717 AND 2',5'-DIDEOXYURIDINE (DDURD)
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-5'DIDEOXYURIDINE, PHOSPHATE ION, ...
著者Stout, T.J, Sage, C.R, Stroud, R.M.
登録日1997-06-26
公開日1998-07-01
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The additivity of substrate fragments in enzyme-ligand binding.
Structure, 6, 1998
1BSP
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BU of 1bsp by Molmil
THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS
分子名称: PHOSPHATE ION, THYMIDYLATE SYNTHASE A
著者Stout, T.J, Schellenberger, U, Santi, D.V, Stroud, R.M.
登録日1998-07-09
公開日1999-02-16
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of a unique thermal-stable thymidylate synthase from Bacillus subtilis.
Biochemistry, 37, 1998
1DVN
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LATENT FORM OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1)
分子名称: PLASMINOGEN ACTIVATOR INHIBITOR-1
著者Stout, T.J, Graham, H, Buckley, D.I, Matthews, D.J.
登録日2000-01-21
公開日2000-09-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of active and latent PAI-1: a possible stabilizing role for chloride ions.
Biochemistry, 39, 2000
2WQA
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BU of 2wqa by Molmil
Complex of TTR and RBP4 and Oleic Acid
分子名称: OLEIC ACID, RETINOL-BINDING PROTEIN 4, SULFATE ION, ...
著者Nanao, M, Mercer, D, Nguyen, L, Buckley, D, Stout, T.J.
登録日2009-08-14
公開日2010-09-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal Structure of Rbp4 Bound to Linoleic Acid and Ttr
To be Published
1KCE
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BU of 1kce by Molmil
E. COLI THYMIDYLATE SYNTHASE MUTANT E58Q IN COMPLEX WITH CB3717 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
著者Sage, C.R, Rutenber, E.E, Stout, T.J, Stroud, R.M.
登録日1996-10-22
公開日1997-04-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献An essential role for water in an enzyme reaction mechanism: the crystal structure of the thymidylate synthase mutant E58Q.
Biochemistry, 35, 1996
4AW5
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Complex of the EphB4 kinase domain with an oxindole inhibitor
分子名称: (3Z)-5-[(1-ethylpiperidin-4-yl)amino]-3-[(5-methoxy-1H-benzimidazol-2-yl)(phenyl)methylidene]-1,3-dihydro-2H-indol-2-one, EPHRIN TYPE-B RECEPTOR 4
著者Till, J.H, Stout, T.J.
登録日2012-05-31
公開日2012-08-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献The Design, Synthesis, and Biological Evaluation of Potent Receptor Tyrosine Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012

 

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