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PDB: 136 results

3BHL
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BU of 3bhl by Molmil
E.coli thymidylate synthase complexes with 5-NO2dUMP and tetrahydrofolate at 1.4 A resolution
Descriptor: (6S)-5,6,7,8-TETRAHYDROFOLATE, 2'-DEOXY-5-NITROURIDINE 5'-MONOPHOSPHATE, SULFATE ION, ...
Authors:Roberts, S.A, Montfort, W.R.
Deposit date:2007-11-28
Release date:2008-12-02
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Studies of Early Events in Catalysis by Thymidylate Synthase
To be Published
3BGX
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BU of 3bgx by Molmil
E. coli Thymidylate Synthase C146S mutant complexed with dTMP and MTF
Descriptor: N-({4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}carbonyl)-L-glutamic acid, SULFATE ION, THYMIDINE-5'-PHOSPHATE, ...
Authors:Roberts, S.A, Montfort, W.R.
Deposit date:2007-11-27
Release date:2008-12-09
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structural Studies of Early Events in Catalysis by Thymidylate Synthase
To be Published
1PF3
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BU of 1pf3 by Molmil
Crystal Structure of the M441L mutant of the multicopper oxidase CueO
Descriptor: Blue copper oxidase cueO, COPPER (II) ION, CU-CL-CU LINKAGE
Authors:Roberts, S.A, Wildner, G.F, Grass, G, Weichsel, A, Ambrus, A, Rensing, C, Montfort, W.R.
Deposit date:2003-05-23
Release date:2003-06-24
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A Labile Regulatory Copper Ion Lies Near the T1 Copper Site in the Multicopper Oxidase CueO.
J.Biol.Chem., 278, 2003
3NSY
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BU of 3nsy by Molmil
The multi-copper oxidase CueO with six Met to Ser mutations (M358S,M361S,M362S,M364S,M366S,M368S)
Descriptor: Blue copper oxidase cueO, COPPER (II) ION, CU-O-CU LINKAGE
Authors:Roberts, S.A, Montfort, W.R, Singh, S.K.
Deposit date:2010-07-02
Release date:2011-08-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of multicopper oxidase CueO bound to copper(I) and silver(I): functional role of a methionine-rich sequence.
J. Biol. Chem., 286, 2011
3NSF
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BU of 3nsf by Molmil
Apo form of the multicopper oxidase CueO
Descriptor: Blue copper oxidase cueO
Authors:Roberts, S.A, Montfort, W.R, Singh, S.K.
Deposit date:2010-07-01
Release date:2011-08-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of multicopper oxidase CueO bound to copper(I) and silver(I): functional role of a methionine-rich sequence.
J. Biol. Chem., 286, 2011
3NT0
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BU of 3nt0 by Molmil
C500S (T1D) Mutant of CueO soaked in and bound to Cu(I)
Descriptor: ACETATE ION, Blue copper oxidase cueO, COPPER (I) ION
Authors:Roberts, S.A, Montfort, W.R, Singh, S.K.
Deposit date:2010-07-02
Release date:2011-08-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of multicopper oxidase CueO bound to copper(I) and silver(I): functional role of a methionine-rich sequence.
J. Biol. Chem., 286, 2011
3NSC
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BU of 3nsc by Molmil
C500S MUTANT OF CueO BOUND TO Cu(II)
Descriptor: ACETATE ION, Blue copper oxidase cueO, COPPER (II) ION, ...
Authors:Roberts, S.A, Montfort, W.R, Singh, S.K.
Deposit date:2010-07-01
Release date:2011-08-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structures of multicopper oxidase CueO bound to copper(I) and silver(I): functional role of a methionine-rich sequence.
J. Biol. Chem., 286, 2011
3B9H
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BU of 3b9h by Molmil
E. coli thymidylate synthase complexed with 5-NITRO-2'-DEOXY URIDINE
Descriptor: 2'-DEOXY-5-NITROURIDINE 5'-MONOPHOSPHATE, PHOSPHATE ION, Thymidylate synthase
Authors:Roberts, S.A, Montfort, W.R.
Deposit date:2007-11-05
Release date:2008-11-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural Studies of Early Events in the Thymidylate Synthase Reaction
To be Published
3BHR
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BU of 3bhr by Molmil
E. coli TS complexed with 5-NO2dUMP and tetrahydrofolate at 1.9 A resolution (space group 152)
Descriptor: (6S)-5,6,7,8-TETRAHYDROFOLATE, 2'-DEOXY-5-NITROURIDINE 5'-MONOPHOSPHATE, PHOSPHATE ION, ...
Authors:Roberts, S.A, Montfort, W.R.
Deposit date:2007-11-28
Release date:2008-12-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Studies of Early Events in Catalysis by Thymidylate Synthase
To be Published
1N68
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BU of 1n68 by Molmil
Copper bound to the Multicopper Oxidase CueO
Descriptor: Blue copper oxidase cueO, COPPER (II) ION, CU-CL-CU LINKAGE
Authors:Roberts, S.A, Wildner, G.F, Grass, G, Weichsel, A, Ambrus, A, Rensing, C, Montfort, W.R.
Deposit date:2002-11-08
Release date:2003-06-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Labile Regulatory Copper Ion Lies Near the T1 Copper Site in the Multicopper Oxidase CueO.
J.Biol.Chem., 278, 2003
3BFI
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BU of 3bfi by Molmil
E. Coli Thymidylate Synthase Y209M mutant complexed with 5-nitro-dUMP
Descriptor: 2'-DEOXY-5-NITROURIDINE 5'-MONOPHOSPHATE, SULFATE ION, Thymidylate synthase
Authors:Roberts, S.A, Montfort, W.R.
Deposit date:2007-11-21
Release date:2008-12-02
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:E.Coli thymidylate synthase complexed with 5-NITRO-2'-DEOXY URIDINE
To be Published
1KOI
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BU of 1koi by Molmil
CRYSTAL STRUCTURE OF NITROPHORIN 4 FROM RHODNIUS PROLIXUS COMPLEXED WITH NITRIC OXIDE AT 1.08 A RESOLUTION
Descriptor: NITRIC OXIDE, NITROPHORIN 4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Roberts, S.A, Weichsel, A, Qiu, Y, Shelnutt, J.A, Walker, F.A, Montfort, W.R.
Deposit date:2001-05-03
Release date:2002-01-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Ligand-induced heme ruffling and bent no geometry in ultra-high-resolution structures of nitrophorin 4.
Biochemistry, 40, 2001
1IKE
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BU of 1ike by Molmil
Crystal Structure of Nitrophorin 4 from Rhodnius Prolixus Complexed with Histamine at 1.5 A Resolution
Descriptor: HISTAMINE, Nitrophorin 4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Roberts, S.A, Weichsel, A, Qiu, Y, Shelnutt, J.A, Walker, F.A, Montfort, W.R.
Deposit date:2001-05-03
Release date:2001-10-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Ligand-induced heme ruffling and bent no geometry in ultra-high-resolution structures of nitrophorin 4.
Biochemistry, 40, 2001
1KV7
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BU of 1kv7 by Molmil
Crystal Structure of CueO, a multi-copper oxidase from E. coli involved in copper homeostasis
Descriptor: COPPER (II) ION, CU-O-CU LINKAGE, PROBABLE BLUE-COPPER PROTEIN YACK
Authors:Roberts, S.A, Weichsel, A, Grass, G, Thakali, K, Hazzard, J.T, Tollin, G, Rensing, C, Montfort, W.R.
Deposit date:2002-01-25
Release date:2002-02-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure and electron transfer kinetics of CueO, a multicopper oxidase required for copper homeostasis in Escherichia coli.
Proc.Natl.Acad.Sci.USA, 99, 2002
3PAU
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BU of 3pau by Molmil
CueO in the resting oxidized state
Descriptor: Blue copper oxidase cueO, COPPER (II) ION, CU-O-CU LINKAGE
Authors:Roberts, S.A, Singh, S, Montfort, W.R.
Deposit date:2010-10-19
Release date:2011-10-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:CueO in the resting oxidized state
To be Published
2FTO
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BU of 2fto by Molmil
Y94F mutant of thymidylate synthase bound to thymidine-5'-phosphate and 10-propargyl-5,8-dideazafolid acid
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, PHOSPHATE ION, THYMIDINE-5'-PHOSPHATE, ...
Authors:Roberts, S.A, Montfort, W.R.
Deposit date:2006-01-24
Release date:2006-05-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the Y94F mutant of Escherichia coli thymidylate synthase.
ACTA CRYSTALLOGR.,SECT.F, 62, 2006
1IKJ
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BU of 1ikj by Molmil
1.27 A CRYSTAL STRUCTURE OF NITROPHORIN 4 FROM RHODNIUS PROLIXUS COMPLEXED WITH IMIDAZOLE
Descriptor: IMIDAZOLE, NITROPHORIN 4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Roberts, S.A, Weichsel, A, Qui, Y, Shelnutt, J.A, Walker, F.A, Montfort, W.R.
Deposit date:2001-05-03
Release date:2001-10-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Ligand-induced heme ruffling and bent no geometry in ultra-high-resolution structures of nitrophorin 4.
Biochemistry, 40, 2001
2QV6
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BU of 2qv6 by Molmil
GTP cyclohydrolase III from M. jannaschii (MJ0145) complexed with GTP and metal ions
Descriptor: CALCIUM ION, GTP cyclohydrolase III, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Roberts, S.A, Bandarian, V.
Deposit date:2007-08-07
Release date:2008-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:A New Use for a Familiar Fold: The X-ray Crystal Structure of GTP-Bound GTP Cyclohydrolase III from Methanocaldococcus jannaschii Reveals a Two Metal Ion Catalytic Mechanism
Biochemistry, 47, 2008
1DB6
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BU of 1db6 by Molmil
SOLUTION STRUCTURE OF THE DNA APTAMER 5'-CGACCAACGTGTCGCCTGGTCG-3' COMPLEXED WITH ARGININAMIDE
Descriptor: ARGININEAMIDE, DNA
Authors:Robertson, S.A, Harada, K, Frankel, A.D, Wemmer, D.E.
Deposit date:1999-11-02
Release date:2000-02-03
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure determination and binding kinetics of a DNA aptamer-argininamide complex.
Biochemistry, 39, 2000
3T60
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BU of 3t60 by Molmil
5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase
Descriptor: 2',5'-dideoxy-5'-(tritylamino)uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ...
Authors:Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H.
Deposit date:2011-07-28
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.396 Å)
Cite:Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
3T64
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BU of 3t64 by Molmil
5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase
Descriptor: 2',5'-dideoxy-5'-[(diphenylmethyl)amino]uridine, 5'-(BENZHYDRYLAMINO)-2',5'-DIDEOXYURIDINE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ...
Authors:Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H.
Deposit date:2011-07-28
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
2PIJ
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BU of 2pij by Molmil
Structure of the Cro protein from prophage Pfl 6 in Pseudomonas fluorescens Pf-5
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BICARBONATE ION, Prophage Pfl 6 Cro, ...
Authors:Roessler, C.G, Roberts, S.A, Montfort, W.R, Cordes, M.H.J.
Deposit date:2007-04-13
Release date:2008-03-04
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Transitive homology-guided structural studies lead to discovery of Cro proteins with 40% sequence identity but different folds.
Proc.Natl.Acad.Sci.Usa, 105, 2008
6ON0
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BU of 6on0 by Molmil
STRUCTURE OF N15 CRO COMPLEXED WITH CONSENSUS OPERATOR DNA
Descriptor: DNA (5'-D(*TP*TP*TP*AP*TP*AP*GP*CP*TP*AP*GP*CP*TP*AP*TP*AP*A)-3'), Gp39
Authors:Hall, B.M, Roberts, S.A, Cordes, M.H.J.
Deposit date:2019-04-19
Release date:2019-05-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Extreme divergence between one-to-one orthologs: the structure of N15 Cro bound to operator DNA and its relationship to the lambda Cro complex.
Nucleic Acids Res., 47, 2019
3D7J
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BU of 3d7j by Molmil
SCO6650, a 6-pyruvoyltetrahydropterin synthase homolog from Streptomyces coelicolor
Descriptor: CHLORIDE ION, SODIUM ION, Uncharacterized protein SCO6650
Authors:Spoonamore, J.E, Roberts, S.A, Heroux, A, Bandarian, V.
Deposit date:2008-05-21
Release date:2008-10-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of a 6-pyruvoyltetrahydropterin synthase homolog from Streptomyces coelicolor.
Acta Crystallogr.,Sect.F, 64, 2008
3ZQ9
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BU of 3zq9 by Molmil
Structure of a Paenibacillus Polymyxa Xyloglucanase from Glycoside Hydrolase Family 44
Descriptor: (2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-2,3,4-TRIOL, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Ariza, A, Eklof, J.M, Spadiut, O, Offen, W.A, Roberts, S.M, Besenmatter, W, Friis, E.P, Skjot, M, Wilson, K.S, Brumer, H, Davies, G.
Deposit date:2011-06-08
Release date:2011-06-22
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure and Activity of Paenibacillus Polymyxa Xyloglucanase from Glycoside Hydrolase Family 44.
J.Biol.Chem., 286, 2011

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