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1AN5
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BU of 1an5 by Molmil
E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH CB3717
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, PHOSPHATE ION, THYMIDYLATE SYNTHASE
Authors:Stout, T.J, Sage, C.R, Stroud, R.M.
Deposit date:1997-06-26
Release date:1998-07-01
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Stout, T.J, Sage, C.R, Stroud, R.M.
Deposit date:1997-06-27
Release date:1998-07-01
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The additivity of substrate fragments in enzyme-ligand binding.
Structure, 6, 1998
1AOB
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BU of 1aob by Molmil
E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH DDURD
Descriptor: 2'-5'DIDEOXYURIDINE, FORMIC ACID, PHOSPHATE ION, ...
Authors:Stout, T.J, Sage, C.R, Stroud, R.M.
Deposit date:1997-06-30
Release date:1998-07-01
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 2'-DEOXYURIDINE, PHOSPHATE ION, THYMIDYLATE SYNTHASE
Authors:Stout, T.J, Sage, C.R, Stroud, R.M.
Deposit date:1997-06-27
Release date:1998-07-01
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The additivity of substrate fragments in enzyme-ligand binding.
Structure, 6, 1998
1BKO
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BU of 1bko by Molmil
THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS
Descriptor: THYMIDYLATE SYNTHASE A
Authors:Stout, T.J, Schellenberger, U, Santi, D.V, Stroud, R.M.
Deposit date:1998-07-09
Release date:1999-02-02
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structures of a unique thermal-stable thymidylate synthase from Bacillus subtilis.
Biochemistry, 37, 1998
1BSF
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BU of 1bsf by Molmil
THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS
Descriptor: THYMIDYLATE SYNTHASE A
Authors:Stout, T.J, Schellenberger, U, Santi, D.V, Stroud, R.M.
Deposit date:1998-07-10
Release date:1999-01-13
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of a unique thermal-stable thymidylate synthase from Bacillus subtilis.
Biochemistry, 37, 1998
1BKP
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BU of 1bkp by Molmil
THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS
Descriptor: THYMIDYLATE SYNTHASE A
Authors:Stout, T.J, Schellenberger, U, Santi, D.V, Stroud, R.M.
Deposit date:1998-07-09
Release date:1999-02-02
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of a unique thermal-stable thymidylate synthase from Bacillus subtilis.
Biochemistry, 37, 1998
1BSP
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BU of 1bsp by Molmil
THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS
Descriptor: PHOSPHATE ION, THYMIDYLATE SYNTHASE A
Authors:Stout, T.J, Schellenberger, U, Santi, D.V, Stroud, R.M.
Deposit date:1998-07-09
Release date:1999-02-16
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of a unique thermal-stable thymidylate synthase from Bacillus subtilis.
Biochemistry, 37, 1998
1DVN
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BU of 1dvn by Molmil
LATENT FORM OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1)
Descriptor: PLASMINOGEN ACTIVATOR INHIBITOR-1
Authors:Stout, T.J, Graham, H, Buckley, D.I, Matthews, D.J.
Deposit date:2000-01-21
Release date:2000-09-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of active and latent PAI-1: a possible stabilizing role for chloride ions.
Biochemistry, 39, 2000
1DVM
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BU of 1dvm by Molmil
ACTIVE FORM OF HUMAN PAI-1
Descriptor: CHLORIDE ION, PLASMINOGEN ACTIVATOR INHIBITOR-1
Authors:Stout, T.J, Graham, H, Buckley, D.I, Matthews, D.J.
Deposit date:2000-01-21
Release date:2000-09-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of active and latent PAI-1: a possible stabilizing role for chloride ions.
Biochemistry, 39, 2000
1DDU
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BU of 1ddu by Molmil
E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH CB3717 AND 2',5'-DIDEOXYURIDINE (DDURD)
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-5'DIDEOXYURIDINE, PHOSPHATE ION, ...
Authors:Stout, T.J, Sage, C.R, Stroud, R.M.
Deposit date:1997-06-26
Release date:1998-07-01
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The additivity of substrate fragments in enzyme-ligand binding.
Structure, 6, 1998
1SYN
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BU of 1syn by Molmil
E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH BW1843U89 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)
Descriptor: 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
Authors:Stout, T.J, Stroud, R.M.
Deposit date:1995-09-19
Release date:1996-01-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite: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)
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE, PHOSPHATE ION, ...
Authors:Stout, T.J, Sage, C.R, Stroud, R.M.
Deposit date:1997-06-25
Release date:1998-07-01
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The additivity of substrate fragments in enzyme-ligand binding.
Structure, 6, 1998
1TJS
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BU of 1tjs by Molmil
E. COLI THYMIDYLATE SYNTHASE
Descriptor: PHOSPHATE ION, THYMIDYLATE SYNTHASE
Authors:Stout, T.J, Sage, C.R, Stroud, R.M.
Deposit date:1997-06-27
Release date:1998-07-01
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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)
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Stout, T.J, Sage, C.R, Stroud, R.M.
Deposit date:1998-05-21
Release date:1998-08-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The additivity of substrate fragments in enzyme-ligand binding.
Structure, 6, 1998
1TSM
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BU of 1tsm by Molmil
L. CASEI THYMIDYLATE SYNTHASE WITH SPECIES SPECIFIC INHIBITOR
Descriptor: 3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-1-ONE, PHOSPHATE ION, THYMIDYLATE SYNTHASE
Authors:Stout, T.J, Stroud, R.M.
Deposit date:1997-06-12
Release date:1998-06-17
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure-based design of inhibitors specific for bacterial thymidylate synthase.
Biochemistry, 38, 1999
1TSL
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BU of 1tsl by Molmil
L. CASEI THYMIDYLATE SYNTHASE WITH SPECIES SPECIFIC INHIBITOR
Descriptor: 3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN-1-ONE, PHOSPHATE ION, THYMIDYLATE SYNTHASE
Authors:Stout, T.J, Stroud, R.M.
Deposit date:1997-06-12
Release date:1998-06-17
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based design of inhibitors specific for bacterial thymidylate synthase.
Biochemistry, 38, 1999
1AXW
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BU of 1axw by Molmil
E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH METHOTREXATE (MTX) AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, METHOTREXATE, THYMIDYLATE SYNTHASE
Authors:Stout, T.J, Sage, C.R, Stroud, R.M.
Deposit date:1997-10-23
Release date:1998-10-28
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Thymidylate Synthase Inhibitors Using Flexible Docking and an Empirically Tuned Scoring Function
To be Published
4ANM
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BU of 4anm by Molmil
Complex of CK2 with a CDC7 inhibitor
Descriptor: 8-BROMANYL-2-[[(3S)-3-OXIDANYLPYRROLIDIN-1-YL]METHYL]-3H-[1]BENZOFURO[3,2-D]PYRIMIDIN-4-ONE, CASEIN KINASE II SUBUNIT ALPHA
Authors:Stout, T.J.
Deposit date:2012-03-20
Release date:2012-05-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Xl413, a Potent and Selective Cdc7 Inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
4ALW
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BU of 4alw by Molmil
Benzofuropyrimidinone Inhibitors of Pim-1
Descriptor: 8-BROMANYL-2-[(4-METHYLPIPERAZIN-1-YL)METHYL]-3H-[1]BENZOFURO[3,2-D]PYRIMIDIN-4-ONE, IMIDAZOLE, PIM-1 KINASE
Authors:Stout, T.J, Adams, L.
Deposit date:2012-03-05
Release date:2013-01-16
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4ALU
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BU of 4alu by Molmil
Benzofuropyrimidinone Inhibitors of Pim-1
Descriptor: 8-bromo-2-(2-chlorophenyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one, IMIDAZOLE, SERINE/THREONINE-PROTEIN KINASE PIM-1
Authors:Stout, T.J, Adams, L.
Deposit date:2012-03-05
Release date:2013-01-16
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4ALV
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BU of 4alv by Molmil
Benzofuropyrimidinone Inhibitors of Pim-1
Descriptor: 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
Authors:Stout, T.J, Adams, L.
Deposit date:2012-03-05
Release date:2013-01-16
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
2WQA
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BU of 2wqa by Molmil
Complex of TTR and RBP4 and Oleic Acid
Descriptor: OLEIC ACID, RETINOL-BINDING PROTEIN 4, SULFATE ION, ...
Authors:Nanao, M, Mercer, D, Nguyen, L, Buckley, D, Stout, T.J.
Deposit date:2009-08-14
Release date:2010-09-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal Structure of Rbp4 Bound to Linoleic Acid and Ttr
To be Published
2WQ9
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BU of 2wq9 by Molmil
Crystal Structure of RBP4 bound to Oleic Acid
Descriptor: CHLORIDE ION, GLYCEROL, OLEIC ACID, ...
Authors:Nanao, M, Mercer, D, Nguyen, L, Buckley, D, Stout, T.J.
Deposit date:2009-08-14
Release date:2010-09-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of Rbp4 Bound to Oleic Acid
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)
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Sage, C.R, Rutenber, E.E, Stout, T.J, Stroud, R.M.
Deposit date:1996-10-22
Release date:1997-04-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:An essential role for water in an enzyme reaction mechanism: the crystal structure of the thymidylate synthase mutant E58Q.
Biochemistry, 35, 1996

 

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