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PDB: 124 results
4ISK
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BU of 4isk by Molmil
Crystal structure of E.coli thymidylate synthase with dUMP and the BGC 945 inhibitor
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2'-deoxy-5'-uridylic acid, MAGNESIUM ION, ...
Authors:Tochowicz, A, Finer-Moore, J, Stroud, R.M.
Deposit date:2013-01-16
Release date:2013-12-25
Last modified:2014-02-12
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Development and Binding Mode Assessment of N-[4-[2-Propyn-1-yl[(6S)-4,6,7,8-tetrahydro-2-(hydroxymethyl)-4-oxo-3H-cyclopenta[g]quinazolin-6-yl]amino]benzoyl]-l-gamma-glutamyl-d-glutamic Acid (BGC 945), a Novel Thymidylate Synthase Inhibitor That Targets Tumor Cells.
J.Med.Chem., 56, 2013
5PTP
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BU of 5ptp by Molmil
STRUCTURE OF HYDROLASE (SERINE PROTEINASE)
Descriptor: BETA TRYPSIN, CALCIUM ION
Authors:Stroud, R.M, Finer-Moore, J.
Deposit date:1997-03-31
Release date:1997-07-07
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Solvent structure in crystals of trypsin determined by X-ray and neutron diffraction.
Proteins, 12, 1992
5EQH
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BU of 5eqh by Molmil
Human GLUT1 in complex with inhibitor (2~{S})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide
Descriptor: (2~{S})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide, Solute carrier family 2, facilitated glucose transporter member 1
Authors:Kapoor, K, Finer-Moore, J, Pedersen, B.P, Caboni, L, Waight, A.B, Hillig, R, Bringmann, P, Heisler, I, Muller, T, Siebeneicher, H, Stroud, R.M.
Deposit date:2015-11-12
Release date:2016-04-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Mechanism of inhibition of human glucose transporter GLUT1 is conserved between cytochalasin B and phenylalanine amides.
Proc.Natl.Acad.Sci.USA, 113, 2016
5EQG
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BU of 5eqg by Molmil
Human GLUT1 in complex with inhibitor (2~{S})-3-(4-fluorophenyl)-2-[2-(3-hydroxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide
Descriptor: (2~{S})-3-(4-fluorophenyl)-2-[2-(3-hydroxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide, Solute carrier family 2, facilitated glucose transporter member 1
Authors:Kapoor, K, Finer-Moore, J, Pedersen, B.P, Caboni, L, Waight, A.B, Hillig, R, Bringmann, P, Heisler, I, Muller, T, Siebeneicher, H, Stroud, R.M.
Deposit date:2015-11-12
Release date:2016-04-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Mechanism of inhibition of human glucose transporter GLUT1 is conserved between cytochalasin B and phenylalanine amides.
Proc.Natl.Acad.Sci.USA, 113, 2016
5EQI
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BU of 5eqi by Molmil
Human GLUT1 in complex with Cytochalasin B
Descriptor: Cytochalasin B, Solute carrier family 2, facilitated glucose transporter member 1
Authors:Kapoor, K, Finer-Moore, J, Pedersen, B.P, Caboni, L, Waight, A.B, Hillig, R, Bringmann, P, Heisler, I, Muller, T, Siebeneicher, H, Stroud, R.M.
Deposit date:2015-11-12
Release date:2016-04-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.002 Å)
Cite:Mechanism of inhibition of human glucose transporter GLUT1 is conserved between cytochalasin B and phenylalanine amides.
Proc.Natl.Acad.Sci.USA, 113, 2016
1BP0
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BU of 1bp0 by Molmil
THYMIDYLATE SYNTHASE R23I MUTANT
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, POTASSIUM ION, PROTEIN (THYMIDYLATE SYNTHASE)
Authors:Morse, R, Finer-Moore, J, Stroud, R.M.
Deposit date:1998-08-11
Release date:2000-01-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Energetic contributions of four arginines to phosphate-binding in thymidylate synthase are more than additive and depend on optimization of "effective charge balance".
Biochemistry, 39, 2000
1BO8
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BU of 1bo8 by Molmil
THYMIDYLATE SYNTHASE R178T MUTANT
Descriptor: POTASSIUM ION, PROTEIN (THYMIDYLATE SYNTHASE), URIDINE-5'-MONOPHOSPHATE
Authors:Morse, R, Finer-Moore, J, Stroud, R.M.
Deposit date:1998-08-10
Release date:1998-08-19
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Energetic contributions of four arginines to phosphate-binding in thymidylate synthase are more than additive and depend on optimization of "effective charge balance".
Biochemistry, 39, 2000
1BJG
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BU of 1bjg by Molmil
D221(169)N MUTANT DOES NOT PROMOTE OPENING OF THE COFACTOR IMIDAZOLIDINE RING
Descriptor: 5,10-METHYLENE-6-HYDROFOLIC ACID, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Sage, C.R, Michelitsch, M.D, Finer-Moore, J, Stroud, R.M.
Deposit date:1998-06-25
Release date:1998-11-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:D221 in thymidylate synthase controls conformation change, and thereby opening of the imidazolidine.
Biochemistry, 37, 1998
1BO7
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BU of 1bo7 by Molmil
THYMIDYLATE SYNTHASE R179T MUTANT
Descriptor: PROTEIN (THYMIDYLATE SYNTHASE), URIDINE-5'-MONOPHOSPHATE
Authors:Morse, R, Finer-Moore, J, Stroud, R.M.
Deposit date:1998-08-10
Release date:1998-08-19
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Energetic contributions of four arginines to phosphate-binding in thymidylate synthase are more than additive and depend on optimization of "effective charge balance".
Biochemistry, 39, 2000
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
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
7SP5
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BU of 7sp5 by Molmil
Crystal Structure of a Eukaryotic Phosphate Transporter
Descriptor: PHOSPHATE ION, Phosphate transporter, nonyl beta-D-glucopyranoside
Authors:Stroud, R.M, Pedersen, B.P, Kumar, H, Waight, A.B, Risenmay, A.J, Roe-Zurz, Z, Chau, B.H, Schlessinger, A, Bonomi, M, Harries, W, Sali, A, Johri, A.K, Finer-Moore, J.
Deposit date:2021-11-02
Release date:2021-11-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of a eukaryotic phosphate transporter.
Nature, 496, 2013
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
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
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
1BTX
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BU of 1btx 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-amino-1-(diethoxyboranyl)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:2012-12-12
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
1BTZ
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BU of 1btz 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-{(1R)-5-ammonio-1-[hydroxy(methoxy)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:2012-12-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Episelection: novel Ki approximately nanomolar inhibitors of serine proteases selected by binding or chemistry on an enzyme surface.
Biochemistry, 34, 1995
1BTY
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BU of 1bty by Molmil
Crystal structure of beta-trypsin in complex with benzamidine
Descriptor: BENZAMIDINE, BETA-TRYPSIN, CALCIUM ION
Authors:Stroud, R.M, Katz, B.A, Finer-Moore, J.
Deposit date:1995-05-17
Release date:1995-10-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Episelection: novel Ki approximately nanomolar inhibitors of serine proteases selected by binding or chemistry on an enzyme surface.
Biochemistry, 34, 1995
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
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
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
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
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

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