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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
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
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
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
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
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
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
1CN4
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BU of 1cn4 by Molmil
ERYTHROPOIETIN COMPLEXED WITH EXTRACELLULAR DOMAINS OF ERYTHROPOIETIN RECEPTOR
Descriptor: PROTEIN (ERYTHROPOIETIN RECEPTOR), PROTEIN (ERYTHROPOIETIN)
Authors:Stroud, R.M, Reid, S.W.
Deposit date:1999-05-25
Release date:1999-08-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Efficiency of signalling through cytokine receptors depends critically on receptor orientation.
Nature, 395, 1998
3E2J
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BU of 3e2j by Molmil
Crystal structure of bovine coupling factor B
Descriptor: ATP synthase subunit s, mitochondrial, MAGNESIUM ION
Authors:Stroud, R.M, Lee, J.K, Belogrudov, G.I.
Deposit date:2008-08-05
Release date:2008-08-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of bovine mitochondrial factor B at 0.96-A resolution.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3E3Z
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BU of 3e3z by Molmil
Crystal structure of bovine coupling Factor B bound with phenylarsine oxide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ATP synthase subunit s, mitochondrial, ...
Authors:Stroud, R.M, Lee, J.K, Belogrudov, G.I.
Deposit date:2008-08-08
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of bovine mitochondrial factor B at 0.96-A resolution.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3E4G
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BU of 3e4g by Molmil
Crystal structure of bovine coupling Factor B, G28E mutant
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ATP synthase subunit s, mitochondrial, ...
Authors:Stroud, R.M, Lee, J.K, Belogrudov, G.I.
Deposit date:2008-08-11
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Crystal structure of bovine mitochondrial factor B at 0.96-A resolution.
Proc.Natl.Acad.Sci.Usa, 105, 2008
1DPO
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BU of 1dpo by Molmil
STRUCTURE OF RAT TRYPSIN
Descriptor: BENZAMIDINE, CALCIUM ION, SULFATE ION, ...
Authors:Stroud, R.M.
Deposit date:1997-03-31
Release date:1997-07-07
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:1.59 A structure of trypsin at 120 K: comparison of low temperature and room temperature structures.
Proteins, 10, 1991
2TRM
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BU of 2trm by Molmil
THE THREE-DIMENSIONAL STRUCTURE OF ASN102 MUTANT OF TRYPSIN. ROLE OF ASP102 IN SERINE PROTEASE CATALYSIS
Descriptor: BENZAMIDINE, CALCIUM ION, TRYPSIN
Authors:Stroud, R.M, Finer-Moore, J.
Deposit date:1988-04-25
Release date:1988-07-16
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The three-dimensional structure of Asn102 mutant of trypsin: role of Asp102 in serine protease catalysis.
Science, 237, 1987
9ICD
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BU of 9icd by Molmil
CATALYTIC MECHANISM OF NADP+-DEPENDENT ISOCITRATE DEHYDROGENASE: IMPLICATIONS FROM THE STRUCTURES OF MAGNESIUM-ISOCITRATE AND NADP+ COMPLEXES
Descriptor: ISOCITRATE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Hurley, J.H, Dean, A.M, Koshland Jr, D.E, Stroud, R.M.
Deposit date:1991-07-29
Release date:1991-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Catalytic mechanism of NADP(+)-dependent isocitrate dehydrogenase: implications from the structures of magnesium-isocitrate and NADP+ complexes.
Biochemistry, 30, 1991
6ICD
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BU of 6icd by Molmil
REGULATION OF AN ENZYME BY PHOSPHORYLATION AT THE ACTIVE SITE
Descriptor: ISOCITRATE DEHYDROGENASE
Authors:Hurley, J.H, Dean, A.M, Sohl, J.L, Koshlandjunior, D.E, Stroud, R.M.
Deposit date:1990-05-30
Release date:1991-10-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Regulation of an enzyme by phosphorylation at the active site.
Science, 249, 1990
8ICD
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BU of 8icd by Molmil
REGULATION OF AN ENZYME BY PHOSPHORYLATION AT THE ACTIVE SITE
Descriptor: ISOCITRATE DEHYDROGENASE, ISOCITRIC ACID, MAGNESIUM ION
Authors:Hurley, J.H, Dean, A.M, Sohl, J.L, Koshlandjunior, D.E, Stroud, R.M.
Deposit date:1990-05-30
Release date:1991-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Regulation of an enzyme by phosphorylation at the active site.
Science, 249, 1990
5ICD
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BU of 5icd by Molmil
REGULATION OF AN ENZYME BY PHOSPHORYLATION AT THE ACTIVE SITE
Descriptor: ISOCITRATE DEHYDROGENASE, ISOCITRIC ACID, MAGNESIUM ION
Authors:Hurley, J.H, Dean, A.M, Sohl, J.L, Koshlandjunior, D.E, Stroud, R.M.
Deposit date:1990-05-30
Release date:1991-10-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Regulation of an enzyme by phosphorylation at the active site.
Science, 249, 1990
2AAZ
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BU of 2aaz by Molmil
Cryptococcus neoformans thymidylate synthase complexed with substrate and an antifolate
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase
Authors:Finer-Moore, J.S, Anderson, A.C, O'Neil, R.H, Costi, M.P, Ferrari, S, Krucinski, J, Stroud, R.M.
Deposit date:2005-07-14
Release date:2005-12-06
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:The structure of Cryptococcus neoformans thymidylate synthase suggests strategies for using target dynamics for species-specific inhibition.
Acta Crystallogr.,Sect.D, 61, 2005
1QZF
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BU of 1qzf by Molmil
Crystal structure of DHFR-TS from Cryptosporidium hominis
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, FOLIC ACID, ...
Authors:O'Neil, R.H, Lilien, R.H, Donald, B.R, Stroud, R.M, Anderson, A.C.
Deposit date:2003-09-16
Release date:2003-11-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Phylogenetic classification of protozoa based on the structure of the linker domain in the bifunctional enzyme, dihydrofolate reductase-thymidylate synthase
J.Biol.Chem., 278, 2003
1ZPR
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BU of 1zpr 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, Stout, T.J, Rutenber, E.E, Stroud, R.M.
Deposit date:1996-10-15
Release date:1997-07-07
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An essential role for water in an enzyme reaction mechanism: the crystal structure of the thymidylate synthase mutant E58Q.
Biochemistry, 35, 1996
2KCE
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BU of 2kce by Molmil
BINDING OF THE ANTICANCER DRUG ZD1694 TO E. COLI THYMIDYLATE SYNTHASE: ASSESSING SPECIFICITY AND AFFINITY
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE, TOMUDEX
Authors:Rutenber, E.E, Stroud, R.M.
Deposit date:1997-06-09
Release date:1997-11-19
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Binding of the anticancer drug ZD1694 to E. coli thymidylate synthase: assessing specificity and affinity.
Structure, 4, 1996
8FVZ
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BU of 8fvz by Molmil
PiPT Y150A
Descriptor: CITRATE ANION, PHOSPHATE ION, Phosphate transporter
Authors:Gupta, M, Finer-Moore, J, Stroud, R.M.
Deposit date:2023-01-20
Release date:2024-01-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Roles of PiPT residues in phosphate binding and transport tested by mutagenesis
To be published
3TMS
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BU of 3tms by Molmil
PLASTIC ADAPTATION TOWARD MUTATIONS IN PROTEINS: STRUCTURAL COMPARISON OF THYMIDYLATE SYNTHASES
Descriptor: PHOSPHATE ION, THYMIDYLATE SYNTHASE
Authors:Perry, K.M, Stroud, R.M.
Deposit date:1991-09-19
Release date:1991-10-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Plastic adaptation toward mutations in proteins: structural comparison of thymidylate synthases.
Proteins, 8, 1990
8CUY
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BU of 8cuy by Molmil
ACP1-KS-AT domains of mycobacterial Pks13
Descriptor: 4'-PHOSPHOPANTETHEINE, Polyketide synthase PKS13, UNKNOWN LIGAND
Authors:Kim, S.K, Dickinson, M.S, Finer-Moore, J.S, Rosenberg, O.S, Stroud, R.M.
Deposit date:2022-05-17
Release date:2023-02-15
Last modified:2023-03-29
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structure and dynamics of the essential endogenous mycobacterial polyketide synthase Pks13.
Nat.Struct.Mol.Biol., 30, 2023
8CV0
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BU of 8cv0 by Molmil
KS-AT domains of mycobacterial Pks13 with outward AT conformation
Descriptor: Polyketide synthase PKS13, UNKNOWN LIGAND
Authors:Kim, S.K, Dickinson, M.S, Finer-Moore, J.S, Rosenberg, O.S, Stroud, R.M.
Deposit date:2022-05-17
Release date:2023-02-15
Last modified:2023-03-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure and dynamics of the essential endogenous mycobacterial polyketide synthase Pks13.
Nat.Struct.Mol.Biol., 30, 2023

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