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PDB: 124 results
1BTW
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BU of 1btw by Molmil
Episelection: novel KI ~nanomolar inhibitors of serine proteases selected by binding or chemistry on an enzyme surface
Descriptor: BETA-TRYPSIN, CALCIUM ION, N-(tert-butoxycarbonyl)-L-alanyl-N-{(1S)-5-ammonio-1-[hydroxy(3-hydroxypropoxy)boranyl]pentyl}-L-valinamide
Authors:Stroud, R.M, Katz, B.A, Finer-Moore, J.
Deposit date:1995-05-17
Release date:1995-10-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Episelection: novel Ki approximately nanomolar inhibitors of serine proteases selected by binding or chemistry on an enzyme surface.
Biochemistry, 34, 1995
1XUH
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BU of 1xuh by Molmil
TRYPSIN-KETO-BABIM-CO+2, PH 8.2
Descriptor: BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE, CALCIUM ION, COBALT (II) ION, ...
Authors:Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M.
Deposit date:1997-10-10
Release date:1998-11-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
1XUG
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BU of 1xug by Molmil
TRYPSIN-BABIM-ZN+2, PH 8.2
Descriptor: BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE, CALCIUM ION, TRYPSIN, ...
Authors:Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M.
Deposit date:1997-10-10
Release date:1998-12-16
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
1XUK
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BU of 1xuk by Molmil
TRYPSIN-BABIM-SULFATE, PH 5.9
Descriptor: BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE, CALCIUM ION, SULFATE ION, ...
Authors:Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M.
Deposit date:1997-10-10
Release date:1998-11-11
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
1XUI
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BU of 1xui by Molmil
TRYPSIN-KETO-BABIM, ZN+2-FREE, PH 8.2
Descriptor: BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE, CALCIUM ION, SODIUM ION, ...
Authors:Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M.
Deposit date:1997-10-10
Release date:1998-11-11
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
1XUJ
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BU of 1xuj by Molmil
TRYPSIN-KETO-BABIM-ZN+2, PH 8.2
Descriptor: BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANONE ZINC, CALCIUM ION, SULFATE ION, ...
Authors:Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M.
Deposit date:1997-10-10
Release date:1998-11-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
2IST
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BU of 2ist by Molmil
crystal structure of RluD from E. coli
Descriptor: BICARBONATE ION, CHLORIDE ION, Ribosomal large subunit pseudouridine synthase D
Authors:Foster, P.G, Finer-Moore, J.S, Stroud, R.M.
Deposit date:2006-10-18
Release date:2006-10-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structure of RluD from E. coli
TO BE PUBLISHED
1JUJ
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BU of 1juj by Molmil
Human Thymidylate Synthase Bound to dUMP and LY231514, a Pyrrolo(2,3-d)pyrimidine-based Antifolate
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, THYMIDYLATE SYNTHASE
Authors:Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M.
Deposit date:2001-08-24
Release date:2001-09-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases.
J.Mol.Biol., 313, 2001
1JU6
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BU of 1ju6 by Molmil
Human Thymidylate Synthase Complex with dUMP and LY231514, A Pyrrolo(2,3-d)pyrimidine-based Antifolate
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, PHOSPHATE ION, ...
Authors:Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M.
Deposit date:2001-08-23
Release date:2001-09-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases.
J.Mol.Biol., 313, 2001
1JTQ
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BU of 1jtq by Molmil
E. coli TS Complex with dUMP and the Pyrrolo(2,3-d)pyrimidine-based Antifolate LY341770
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-4-(2H-TETRAZOL-5-YL)-BUTYRIC ACID, THYMIDYLATE SYNTHASE
Authors:Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M.
Deposit date:2001-08-21
Release date:2001-09-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases.
J.Mol.Biol., 313, 2001
1JUT
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BU of 1jut by Molmil
E. coli Thymidylate Synthase Bound to dUMP and LY338529, A Pyrrolo(2,3-d)pyrimidine-based Antifolate
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-3-METHYL-BUTYRIC ACID, THYMIDYLATE SYNTHASE
Authors:Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M.
Deposit date:2001-08-27
Release date:2001-09-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases.
J.Mol.Biol., 313, 2001
1KZI
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BU of 1kzi by Molmil
Crystal Structure of EcTS/dUMP/THF Complex
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (6S)-5,6,7,8-TETRAHYDROFOLATE, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ...
Authors:Fritz, T.A, Liu, L, Finer-Moore, J.S, Stroud, R.M.
Deposit date:2002-02-06
Release date:2002-07-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Tryptophan 80 and leucine 143 are critical for the hydride transfer step of thymidylate synthase by controlling active site access.
Biochemistry, 41, 2002
1LCA
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BU of 1lca by Molmil
LACTOBACILLUS CASEI THYMIDYLATE SYNTHASE TERNARY COMPLEX WITH DUMP AND CB3717
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Birdsall, D.L, Finer-Moore, J, Stroud, R.M.
Deposit date:1995-06-22
Release date:1995-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Refined structures of substrate-bound and phosphate-bound thymidylate synthase from Lactobacillus casei.
J.Mol.Biol., 232, 1993
1KZJ
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BU of 1kzj by Molmil
Crystal Structure of EcTS W80G/dUMP/CB3717 Complex
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase
Authors:Fritz, T.A, Liu, L, Finer-Moore, J.S, Stroud, R.M.
Deposit date:2002-02-06
Release date:2002-07-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Tryptophan 80 and leucine 143 are critical for the hydride transfer step of thymidylate synthase by controlling active site access.
Biochemistry, 41, 2002
1LCE
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BU of 1lce by Molmil
LACTOBACILLUS CASEI THYMIDYLATE SYNTHASE TERNARY COMPLEX WITH DUMP AND CH2THF
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5,10-METHYLENE-6-HYDROFOLIC ACID, THYMIDYLATE SYNTHASE
Authors:Birdsall, D.L, Finer-Moore, J, Stroud, R.M.
Deposit date:1995-06-22
Release date:1995-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Refined structures of substrate-bound and phosphate-bound thymidylate synthase from Lactobacillus casei.
J.Mol.Biol., 232, 1993
1LCB
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BU of 1lcb by Molmil
LACTOBACILLUS CASEI THYMIDYLATE SYNTHASE TERNARY COMPLEX WITH DTMP AND H2FOLATE
Descriptor: DIHYDROFOLIC ACID, THYMIDINE-5'-PHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Birdsall, D.L, Finer-Moore, J, Stroud, R.M.
Deposit date:1995-06-22
Release date:1995-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Refined structures of substrate-bound and phosphate-bound thymidylate synthase from Lactobacillus casei.
J.Mol.Biol., 232, 1993
1BQ2
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BU of 1bq2 by Molmil
E. COLI THYMIDYLATE SYNTHASE MUTANT N177A
Descriptor: PHOSPHATE ION, THYMIDYLATE SYNTHASE
Authors:Reyes, C.L, Sage, C.R, Rutenber, E.E, Finer-Moore, J.S, Stroud, R.M.
Deposit date:1998-08-20
Release date:1999-04-27
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Inactivity of N229A thymidylate synthase due to water-mediated effects: isolating a late stage in methyl transfer.
J.Mol.Biol., 284, 1998
1BQ1
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BU of 1bq1 by Molmil
E. COLI THYMIDYLATE SYNTHASE MUTANT N177A IN COMPLEX WITH CB3717 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Reyes, C.L, Sage, C.R, Rutenber, E.E, Finer-Moore, J.S, Stroud, R.M.
Deposit date:1998-08-20
Release date:1999-05-18
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Inactivity of N229A thymidylate synthase due to water-mediated effects: isolating a late stage in methyl transfer.
J.Mol.Biol., 284, 1998
1JG0
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BU of 1jg0 by Molmil
Crystal structure of Escherichia coli thymidylate synthase complexed with 2'-deoxyuridine-5'-monophosphate and N,O-didansyl-L-tyrosine
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, N,O-DIDANSYL-L-TYROSINE, thymidylate synthase
Authors:Fritz, T.A, Tondi, D, Finer-Moore, J.S, Costi, M.P, Stroud, R.M.
Deposit date:2001-06-22
Release date:2002-02-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Predicting and harnessing protein flexibility in the design of species-specific inhibitors of thymidylate synthase.
Chem.Biol., 8, 2001
1R3E
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BU of 1r3e by Molmil
Crystal Structure of tRNA Pseudouridine Synthase TruB and Its RNA Complex: RNA-protein Recognition Through a Combination of Rigid Docking and Induced Fit
Descriptor: 5'-R(*CP*UP*GP*UP*GP*UP*(FHU)P*CP*GP*AP*UP*CP*CP*AP*CP*AP*G)-3', 5'-R(*CP*UP*GP*UP*GP*UP*UP*CP*GP*AP*UP*CP*CP*AP*CP*AP*G)-3', tRNA pseudouridine synthase B
Authors:Pan, H, Agarwalla, S, Moustakas, D.T, Finer-Moore, J, Stroud, R.M.
Deposit date:2003-10-01
Release date:2003-11-04
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of tRNA Pseudouridine Synthase TruB and Its RNA Complex: RNA Recognition Through a Combination of Rigid Docking and Induced Fit
Proc.Natl.Acad.Sci.USA, 100, 2003
1R3F
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BU of 1r3f by Molmil
Crystal Structure of tRNA Pseudouridine Synthase TruB and Its RNA Complex: RNA-protein Recognition Through a Combination of Rigid Docking and Induced Fit
Descriptor: tRNA pseudouridine synthase B
Authors:Pan, H, Agarwalla, S, Moustakas, D.T, Finer-Moore, J, Stroud, R.M.
Deposit date:2003-10-01
Release date:2003-11-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of tRNA Pseudouridine Synthase TruB and Its RNA Complex: RNA Recognition Through a Combination of Rigid Docking and Induced Fit
Proc.Natl.Acad.Sci.USA, 100, 2003
1CW1
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BU of 1cw1 by Molmil
CRYSTAL STRUCTURE OF ISOCITRATE DEHYDROGENASE MUTANT K230M BOUND TO ISOCITRATE AND MN2+
Descriptor: ISOCITRATE DEHYDROGENASE, ISOCITRIC ACID, MANGANESE (II) ION, ...
Authors:Stroud, R, Finer-Moore, J.
Deposit date:1999-08-25
Release date:1999-09-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Active site water molecules revealed in the 2.1 A resolution structure of a site-directed mutant of isocitrate dehydrogenase.
J.Mol.Biol., 295, 2000
1CW7
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BU of 1cw7 by Molmil
LOW TEMPERATURE STRUCTURE OF WILD-TYPE IDH COMPLEXED WITH MG-ISOCITRATE
Descriptor: ISOCITRATE DEHYDROGENASE, ISOCITRIC ACID, MAGNESIUM ION, ...
Authors:Stroud, M.R, Finer-Moore, J.
Deposit date:1999-08-25
Release date:1999-09-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Active site water molecules revealed in the 2.1 A resolution structure of a site-directed mutant of isocitrate dehydrogenase.
J.Mol.Biol., 295, 2000
1CW4
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BU of 1cw4 by Molmil
CRYSTAL STRUCTURE OF K230M ISOCITRATE DEHYDROGENASE IN COMPLEX WITH ALPHA-KETOGLUTARATE
Descriptor: 2-OXOGLUTARIC ACID, ISOCITRATE DEHYDROGENASE, MANGANESE (II) ION, ...
Authors:Stroud, M.R, Finer-Moore, J.
Deposit date:1999-08-25
Release date:1999-09-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Active site water molecules revealed in the 2.1 A resolution structure of a site-directed mutant of isocitrate dehydrogenase.
J.Mol.Biol., 295, 2000

224004

數據於2024-08-21公開中

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