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PDB: 180 results

4V25
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BU of 4v25 by Molmil
VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells
Descriptor: MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-N-(4-{[(difluoroacetyl)amino]methyl}benzyl)-2,4-dihydroxybenzamide, ...
Authors:Moore, J.D, Staniszewska, A, Shaw, T, D'Alessandro, J, Davis, B, Surgenor, A, Baker, L, Matassova, N, Murray, J, Macias, A, Brough, P, Wood, M, Mahon, P.C.
Deposit date:2014-10-06
Release date:2014-12-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells.
Oncotarget, 5, 2014
4V26
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VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells
Descriptor: MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, N-[4-(2-CHLORO-5-METHYLPYRIMIDIN-4-YL)PHENYL]-2,4-DIHYDROXY-N-(4-{[(TRIFLUOROACETYL)AMINO]METHYL}BENZYL)BENZAMIDE, ...
Authors:Moore, J.D, Staniszewska, A, Shaw, T, D'Alessandro, J, Davis, B, Surgenor, A, Baker, L, Matassova, N, Murray, J, Macias, A, Brough, P, Wood, M, Mahon, P.C.
Deposit date:2014-10-06
Release date:2014-12-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells.
Oncotarget, 5, 2014
9PCY
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BU of 9pcy by Molmil
HIGH-RESOLUTION SOLUTION STRUCTURE OF REDUCED FRENCH BEAN PLASTOCYANIN AND COMPARISON WITH THE CRYSTAL STRUCTURE OF POPLAR PLASTOCYANIN
Descriptor: COPPER (II) ION, PLASTOCYANIN
Authors:Moore, J.M, Lepre, C.A, Gippert, G.P, Chazin, W.J, Case, D.A, Wright, P.E.
Deposit date:1991-03-18
Release date:1993-10-31
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:High-resolution solution structure of reduced French bean plastocyanin and comparison with the crystal structure of poplar plastocyanin.
J.Mol.Biol., 221, 1991
5UTK
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BU of 5utk by Molmil
Crystal structure of the membrane proximal three fibronectin type III (FNIII) domains of Tie2 (Tie2[FNIIIa-c])
Descriptor: Angiopoietin-1 receptor
Authors:Moore, J.O, Lemmon, M.A, Ferguson, K.M.
Deposit date:2017-02-15
Release date:2017-04-12
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Dimerization of Tie2 mediated by its membrane-proximal FNIII domains.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3O1J
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BU of 3o1j by Molmil
Crystal Structure of the TorS sensor domain - TorT complex in the absence of isopropanol
Descriptor: ISOPROPYL ALCOHOL, Periplasmic protein TorT, Sensor protein TorS
Authors:Moore, J.O, Hendrickson, W.A.
Deposit date:2010-07-21
Release date:2011-12-21
Last modified:2013-03-27
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:An asymmetry-to-symmetry switch in signal transmission by the histidine kinase receptor for TMAO.
Structure, 20, 2012
3I9Y
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BU of 3i9y by Molmil
Crystal structure of the V. parahaemolyticus histidine kinase sensor TorS sensor domain
Descriptor: Sensor protein
Authors:Moore, J.O, Hendrickson, W.A.
Deposit date:2009-07-13
Release date:2009-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structural analysis of sensor domains from the TMAO-responsive histidine kinase receptor TorS
Structure, 17, 2009
3I9W
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Crystal structure of the E. coli histidine kinase sensor TorS sensor domain
Descriptor: Sensor protein torS
Authors:Moore, J.O, Hendrickson, W.A.
Deposit date:2009-07-13
Release date:2009-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural analysis of sensor domains from the TMAO-responsive histidine kinase receptor TorS
Structure, 17, 2009
3O1H
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BU of 3o1h by Molmil
Crystal Structure of the TorS sensor domain - TorT complex in the presence of TMAO
Descriptor: Periplasmic protein TorT, Sensor protein TorS, trimethylamine oxide
Authors:Moore, J.O, Hendrickson, W.A.
Deposit date:2010-07-21
Release date:2011-12-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:An asymmetry-to-symmetry switch in signal transmission by the histidine kinase receptor for TMAO.
Structure, 20, 2012
3O1I
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BU of 3o1i by Molmil
Crystal Structure of the TorS sensor domain - TorT complex in the absence of ligand
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Periplasmic protein TorT, Sensor protein TorS
Authors:Moore, J.O, Hendrickson, W.A.
Deposit date:2010-07-21
Release date:2011-12-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:An asymmetry-to-symmetry switch in signal transmission by the histidine kinase receptor for TMAO.
Structure, 20, 2012
4GEV
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BU of 4gev by Molmil
E. coli thymidylate synthase Y209W variant in complex with substrate and a cofactor analog
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-deoxy-5'-uridylic acid, Thymidylate synthase
Authors:Newby, Z, Lee, T.T, Finer-Moore, J, Stroud, R.M.
Deposit date:2012-08-02
Release date:2012-08-29
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A remote mutation affects the hydride transfer by disrupting concerted protein motions in thymidylate synthase.
J.Am.Chem.Soc., 134, 2012
4GGM
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BU of 4ggm by Molmil
Structure of LpxI
Descriptor: (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, MAGNESIUM ION, UDP-2,3-diacylglucosamine pyrophosphatase LpxI
Authors:Metzger IV, L.E, Lee, J.K, Finer-Moore, J.S, Raetz, C.R.H, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP)
Deposit date:2012-08-06
Release date:2012-10-03
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.897 Å)
Cite:LpxI structures reveal how a lipid A precursor is synthesized.
Nat.Struct.Mol.Biol., 19, 2012
1VZE
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BU of 1vze by Molmil
L. CASEI THYMIDYLATE SYNTHASE MUTANT E60Q 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:1996-09-18
Release date:1997-03-12
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The separate effects of E60Q in Lactobacillus casei thymidylate synthase delineate between mechanisms for formation of intermediates in catalysis.
Protein Eng., 11, 1998
1VZD
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BU of 1vzd by Molmil
L. CASEI THYMIDYLATE SYNTHASE MUTANT E60Q TERNARY COMPLEX WITH FDUMP AND CB3717
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Birdsall, D.L, Finer-Moore, J, Stroud, R.M.
Deposit date:1996-09-18
Release date:1997-03-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The separate effects of E60Q in Lactobacillus casei thymidylate synthase delineate between mechanisms for formation of intermediates in catalysis.
Protein Eng., 11, 1998
1VZA
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BU of 1vza by Molmil
THYMIDYLATE SYNTHASE E60D MUTANT BINARY COMPLEX WITH 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Birdsall, D.L, Finer-Moore, J, Stroud, R.M.
Deposit date:1996-09-18
Release date:1997-03-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The separate effects of E60Q in Lactobacillus casei thymidylate synthase delineate between mechanisms for formation of intermediates in catalysis.
Protein Eng., 11, 1998
1VZC
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BU of 1vzc by Molmil
L. CASEI THYMIDYLATE SYNTHASE MUTANT E60Q BINARY COMPLEX WITH FDUMP
Descriptor: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Birdsall, D.L, Finer-Moore, J, Stroud, R.M.
Deposit date:1996-09-18
Release date:1997-03-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The separate effects of E60Q in Lactobacillus casei thymidylate synthase delineate between mechanisms for formation of intermediates in catalysis.
Protein Eng., 11, 1998
3DH3
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BU of 3dh3 by Molmil
Crystal Structure of RluF in complex with a 22 nucleotide RNA substrate
Descriptor: Ribosomal large subunit pseudouridine synthase F, stem loop fragment of E. Coli 23S RNA
Authors:Alian, A, DeGiovanni, A, Stroud, R.M, Finer-Moore, J.S.
Deposit date:2008-06-16
Release date:2009-04-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of an RluF-RNA complex: a base-pair rearrangement is the key to selectivity of RluF for U2604 of the ribosome.
J.Mol.Biol., 388, 2009
4ZYR
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BU of 4zyr by Molmil
Crystal structure of E. coli Lactose permease G46W/G262W bound to p-nitrophenyl alpha-D-galactopyranoside (alpha-NPG)
Descriptor: 4-nitrophenyl alpha-D-galactopyranoside, Lactose permease, nonyl beta-D-glucopyranoside
Authors:Kumar, H, Finer-Moore, J.S, Kaback, H.R, Stroud, R.M.
Deposit date:2015-05-22
Release date:2015-07-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.312 Å)
Cite:Structure of LacY with an alpha-substituted galactoside: Connecting the binding site to the protonation site.
Proc.Natl.Acad.Sci.USA, 112, 2015
2G8X
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BU of 2g8x by Molmil
Escherichia coli Y209W apoprotein
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CARBONATE ION, PHOSPHATE ION, ...
Authors:Lee, T.T, Finer-Moore, J.S, Stroud, R.M.
Deposit date:2006-03-03
Release date:2006-03-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:The role of protein dynamics in thymidylate synthase catalysis: Variants of conserved dUMP-binding Tyr-261
TO BE PUBLISHED
2GCY
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BU of 2gcy by Molmil
humanized antibody C25 Fab fragment
Descriptor: SULFATE ION, huC25 fab fragment heavy chain, huC25 fab fragment light chain
Authors:LaPorte, S.L, Finer-Moore, J, Marks, J.D, Forsyth, C.M.
Deposit date:2006-03-14
Release date:2007-03-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Humanization and structure of antibody clone C25
To be Published
2G8A
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BU of 2g8a by Molmil
Lactobacillus casei Y261M in complex with substrate, dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, thymidylate synthase
Authors:Finer-Moore, J.S, Stroud, R.M.
Deposit date:2006-03-02
Release date:2006-03-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The role of protein dynamics in thymidylate synthase catalysis: variants of conserved 2'-deoxyuridine 5'-monophosphate (dUMP)-binding Tyr-261
Biochemistry, 45, 2006
2G86
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BU of 2g86 by Molmil
L. casei thymidylate synthase Y261F in complex with substrate, dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase
Authors:Finer-Moore, J.S, Stroud, R.M.
Deposit date:2006-03-01
Release date:2006-03-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The role of protein dynamics in thymidylate synthase catalysis: variants of conserved 2'-deoxyuridine 5'-monophosphate (dUMP)-binding Tyr-261
Biochemistry, 45, 2006
2G8D
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BU of 2g8d by Molmil
Lactobacillus casei thymidylate synthase Y261W-dUMP complex
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, thymidylate synthase
Authors:Finer-Moore, J.S, Stroud, R.M.
Deposit date:2006-03-02
Release date:2006-03-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The role of protein dynamics in thymidylate synthase catalysis: variants of conserved 2'-deoxyuridine 5'-monophosphate (dUMP)-binding Tyr-261
Biochemistry, 45, 2006
2G89
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L. casei thymidylate synthase Y261A in complex with substrate, dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, thymidylate synthase
Authors:Finer-Moore, J.S, Stroud, R.M.
Deposit date:2006-03-02
Release date:2006-03-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The role of protein dynamics in thymidylate synthase catalysis: variants of conserved 2'-deoxyuridine 5'-monophosphate (dUMP)-binding Tyr-261
Biochemistry, 45, 2006
4TMS
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BU of 4tms by Molmil
PLASTIC ADAPTATION TOWARD MUTATIONS IN PROTEINS: STRUCTURAL COMPARISON OF THYMIDYLATE SYNTHASES
Descriptor: PHOSPHATE ION, THYMIDYLATE SYNTHASE
Authors:Finer-Moore, J, Stroud, R.
Deposit date:1992-01-07
Release date:1992-01-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Plastic adaptation toward mutations in proteins: structural comparison of thymidylate synthases.
Proteins, 8, 1990
6NNR
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BU of 6nnr by Molmil
high-resolution structure of wild-type E. coli thymidylate synthase
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-deoxy-5'-uridylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Stroud, R.M, Finer-Moore, J.
Deposit date:2019-01-15
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Mg2+ binds to the surface of thymidylate synthase and affects hydride transfer at the interior active site.
J. Am. Chem. Soc., 135, 2013

222624

PDB entries from 2024-07-17

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