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4BD0
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BU of 4bd0 by Molmil
X-ray structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB)
Descriptor: BENZO[B]THIOPHENE-2-BORONIC ACID, BETA-LACTAMASE TOHO-1, SULFATE ION
Authors:Tomanicek, S.J, Weiss, K.L, Standaert, R.F, Ostermann, A, Schrader, T.E, Ng, J.D, Coates, L.
Deposit date:2012-10-04
Release date:2013-01-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.207 Å)
Cite:Neutron and X-Ray Crystal Structures of a Perdeuterated Enzyme Inhibitor Complex Reveal the Catalytic Proton Network of the Toho-1 Beta-Lactamase for the Acylation Reaction.
J.Biol.Chem., 288, 2013
4BD1
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BU of 4bd1 by Molmil
Neutron structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB)
Descriptor: BENZO[B]THIOPHENE-2-BORONIC ACID, TOHO-1 BETA-LACTAMASE
Authors:Tomanicek, S.J, Weiss, K.L, Standaert, R.F, Ostermann, A, Schrader, T.E, Ng, J.D, Coates, L.
Deposit date:2012-10-04
Release date:2013-01-16
Last modified:2017-03-22
Method:NEUTRON DIFFRACTION (2.002 Å)
Cite:Neutron and X-Ray Crystal Structures of a Perdeuterated Enzyme Inhibitor Complex Reveal the Catalytic Proton Network of the Toho-1 Beta-Lactamase for the Acylation Reaction.
J.Biol.Chem., 288, 2013
3H8W
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BU of 3h8w by Molmil
Structure of D132N T4 RNase H in the presence of divalent magnesium
Descriptor: Ribonuclease H
Authors:Tomanicek, S.J, Mueser, T.C.
Deposit date:2009-04-29
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Additional Order Appears in the Absence of Metals in a FEN-1 protein: Structural Analysis of Magnesium Binding to Bacteriophage T4 RNaseH
TO BE PUBLISHED
3H7I
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BU of 3h7i by Molmil
Structure of the metal-free D132N T4 RNase H
Descriptor: Ribonuclease H, SULFATE ION
Authors:Tomanicek, S.J, Mueser, T.C.
Deposit date:2009-04-27
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:Additional Order Appears in the Absence of Metals in a FEN-1 protein: Structural Analysis of Magnesium Binding to Bacteriophage T4 RNaseH
To be Published
3H8J
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BU of 3h8j by Molmil
Native T4 RNase H in the absence of divalent metal ions
Descriptor: Ribonuclease H, SODIUM ION, SULFATE ION
Authors:Tomanicek, S.J, Mueser, T.C.
Deposit date:2009-04-29
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Additional Order Appears in the Absence of Metals in a FEN-1 protein: Structural Analysis of Magnesium Binding to Bacteriophage T4 RNaseH
To be Published
3H8S
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BU of 3h8s by Molmil
Structure of D19N T4 RNase H in the presence of divalent magnesium
Descriptor: MAGNESIUM ION, Ribonuclease H
Authors:Tomanicek, S.J, Mueser, T.C.
Deposit date:2009-04-29
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Additional Order Appears in the Absence of Metals in a FEN-1 protein: Structural Analysis of Magnesium Binding to Bacteriophage T4 RNaseH
To be Published
2WYX
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BU of 2wyx by Molmil
Neutron structure of a class A Beta-lactamase Toho-1 E166A R274N R276N triple mutant
Descriptor: BETA-LACTAMSE TOHO-1
Authors:Tomanicek, S.J, Blakeley, M.P, Cooper, J, Chen, Y, Afonine, P, Coates, L.
Deposit date:2009-11-20
Release date:2010-01-12
Last modified:2018-05-09
Method:NEUTRON DIFFRACTION (2.1 Å)
Cite:Neutron Diffraction Studies of a Class a Beta-Lactamase Toho-1 E166A R274N R276N Triple Mutant
J.Mol.Biol., 396, 2010
2X7W
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BU of 2x7w by Molmil
Crystal structure of Thermotoga maritima endonuclease IV in the presence of cadmium and zinc
Descriptor: BICINE, CADMIUM ION, PROBABLE ENDONUCLEASE 4, ...
Authors:Tomanicek, S.J, Hughes, R.C, Ng, J.D, Coates, L.
Deposit date:2010-03-03
Release date:2010-09-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structure of the Endonuclease Iv Homologue from Thermotoga Maritima in the Presence of Active-Site Divalent Metal Ions
Acta Crystallogr.,Sect.F, 66, 2010
2X7V
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BU of 2x7v by Molmil
Crystal structure of Thermotoga maritima endonuclease IV in the presence of zinc
Descriptor: PROBABLE ENDONUCLEASE 4, ZINC ION
Authors:Tomanicek, S.J, Hughes, R.C, Ng, J.D, Coates, L.
Deposit date:2010-03-03
Release date:2010-09-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the Endonuclease Iv Homologue from Thermotoga Maritima in the Presence of Active-Site Divalent Metal Ions
Acta Crystallogr.,Sect.F, 66, 2010
2XQZ
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BU of 2xqz by Molmil
Neutron structure of the perdeuterated Toho-1 R274N R276N double mutant beta-lactamase
Descriptor: BETA-LACTAMSE TOHO-1
Authors:Tomanicek, S.J, Wang, K.K, Weiss, K.L, Blakeley, M.P, Cooper, J, Chen, Y, Coates, L.
Deposit date:2010-09-08
Release date:2010-12-22
Last modified:2018-01-31
Method:NEUTRON DIFFRACTION (2.1 Å)
Cite:The Active Site Protonation States of Perdeuterated Toho-1 Beta-Lactamase Determined by Neutron Diffraction Support a Role for Glu166 as the General Base in Acylation.
FEBS Lett., 585, 2011
2XR0
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BU of 2xr0 by Molmil
Room temperature X-ray structure of the perdeuterated Toho-1 R274N R276N double mutant beta-lactamase
Descriptor: SULFATE ION, TOHO-1 BETA-LACTAMASE
Authors:Tomanicek, S.J, Wang, K.K, Weiss, K.L, Blakeley, M.P, Cooper, J, Chen, Y, Coates, L.
Deposit date:2010-09-08
Release date:2010-12-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Active Site Protonation States of Perdeuterated Toho-1 Beta-Lactamase Determined by Neutron Diffraction Support a Role for Glu166 as the General Base in Acylation.
FEBS Lett., 585, 2011
3Q3L
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BU of 3q3l by Molmil
The neutron crystallographic structure of inorganic pyrophosphatase from Thermococcus thioreducens
Descriptor: CALCIUM ION, Tt-IPPase
Authors:Hughes, R.C, Coates, L, Blakeley, M.P, Tomanicek, S.J, Meehan, E.J, Garcia-Ruiz, J.M, Ng, J.D.
Deposit date:2010-12-22
Release date:2012-02-08
Last modified:2023-09-13
Method:NEUTRON DIFFRACTION (2.5 Å)
Cite:Inorganic pyrophosphatase crystals from Thermococcus thioreducens for X-ray and neutron diffraction.
Acta Crystallogr.,Sect.F, 68, 2012
5A92
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BU of 5a92 by Molmil
15K X-ray structure with Cefotaxime: Exploring the Mechanism of beta- Lactam Ring Protonation in the Class A beta-lactamase Acylation Mechanism Using Neutron and X-ray Crystallography
Descriptor: BETA-LACTAMASE CTX-M-97, CEFOTAXIME, C3' cleaved, ...
Authors:Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Erskine, P.T, Tomanicek, S.J, Ostermann, A, Schrader, T.E, Ginell, S.L, Coates, L.
Deposit date:2015-07-17
Release date:2015-12-16
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography.
J.Med.Chem., 59, 2016
5A90
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BU of 5a90 by Molmil
100K Neutron Ligand Free: Exploring the Mechanism of beta-Lactam Ring Protonation in the Class A beta-lactamase Acylation Mechanism Using Neutron and X-ray Crystallography
Descriptor: BETA-LACTAMASE CTX-M-97
Authors:Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Erskine, P.T, Tomanicek, S.J, Ostermann, A, Schrader, T.E, Ginell, S.L, Coates, L.
Deposit date:2015-07-17
Release date:2015-12-16
Last modified:2017-03-22
Method:NEUTRON DIFFRACTION (1.7 Å)
Cite:Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography.
J.Med.Chem., 59, 2016
5A91
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BU of 5a91 by Molmil
15K X-ray ligand free: Exploring the Mechanism of beta-Lactam Ring Protonation in the Class A beta-lactamase Acylation Mechanism Using Neutron and X-ray Crystallography
Descriptor: SULFATE ION
Authors:Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Erskine, P.T, Tomanicek, S.J, Ostermann, A, Schrader, T.E, Ginell, S.L, Coates, L.
Deposit date:2015-07-17
Release date:2015-12-16
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography.
J.Med.Chem., 59, 2016
5A93
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BU of 5a93 by Molmil
293K Joint X-ray Neutron with Cefotaxime: EXPLORING THE MECHANISM OF BETA-LACTAM RING PROTONATION IN THE CLASS A BETA-LACTAMASE ACYLATION MECHANISM USING NEUTRON AND X-RAY CRYSTALLOGRAPHY
Descriptor: BETA-LACTAMASE CTX-M-97, CEFOTAXIME, C3' cleaved, ...
Authors:Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Erskine, P.T, Tomanicek, S.J, Ostermann, A, Schrader, T.E, Ginell, S.L, Coates, L.
Deposit date:2015-07-17
Release date:2015-12-16
Last modified:2024-01-10
Method:NEUTRON DIFFRACTION (1.598 Å), X-RAY DIFFRACTION
Cite:Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography.
J.Med.Chem., 59, 2016
2JJJ
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BU of 2jjj by Molmil
Endothiapepsin in complex with a gem-diol inhibitor.
Descriptor: ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide, SULFATE ION
Authors:Coates, L, Tuan, H.-F, Tomanicek, S.J, Kovalevsky, A, Mustyakimov, M, Erskine, P, Cooper, J.
Deposit date:2008-04-09
Release date:2008-05-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1 Å)
Cite:The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction
J.Am.Chem.Soc., 130, 2008
2JJI
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BU of 2jji by Molmil
Endothiapepsin in complex with a gem-diol inhibitor.
Descriptor: ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide, SULFATE ION
Authors:Coates, L, Tuan, H.-F, Tomanicek, S.J, Kovalevsky, A, Mustyakimov, M, Erskine, P, Cooper, J.
Deposit date:2008-04-09
Release date:2008-05-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction
J.Am.Chem.Soc., 130, 2008
4C3Q
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BU of 4c3q by Molmil
Neutron structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB) at 100K
Descriptor: BENZO[B]THIOPHENE-2-BORONIC ACID, BETA-LACTAMASE TOHO-1
Authors:Coates, L, Tomanicek, S.J, Schrader, T, Weiss, K.L, Ng, J.D, Ostermann, A.
Deposit date:2013-08-26
Release date:2014-07-09
Last modified:2017-03-22
Method:NEUTRON DIFFRACTION (2.2 Å)
Cite:Cryogenic Neutron Protein Crystallography: Routine Methods and Potential Benefits
J.Appl.Crystallogr., 47, 2014
3KGG
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BU of 3kgg by Molmil
X-ray structure of perdeuterated diisopropyl fluorophosphatase (DFPase): Perdeuteration of proteins for neutron diffraction
Descriptor: CALCIUM ION, Diisopropyl-fluorophosphatase
Authors:Blum, M.-M, Tomanicek, S.J, John, H, Hanson, B.L, terjans, H.R, Schoenborn, B.P, Langan, P, Chen, J.C.-H.
Deposit date:2009-10-29
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray structure of perdeuterated diisopropyl fluorophosphatase (DFPase): perdeuteration of proteins for neutron diffraction.
Acta Crystallogr.,Sect.F, 66, 2010
3Q46
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BU of 3q46 by Molmil
Magnesium activated Inorganic pyrophosphatase from Thermococcus thioreducens bound to hydrolyzed product at 0.99 Angstrom resolution
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Hughes, R.C, Coates, L, Meehan, E.J, Ng, J.D.
Deposit date:2010-12-23
Release date:2012-01-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Inorganic pyrophosphatase crystals from Thermococcus thioreducens for X-ray and neutron diffraction.
Acta Crystallogr.,Sect.F, 68, 2012
3Q4W
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BU of 3q4w by Molmil
The structure of archaeal inorganic pyrophosphatase in complex with substrate
Descriptor: BROMIDE ION, CALCIUM ION, PYROPHOSPHATE 2-, ...
Authors:Hughes, R.C, Meehan, E.J, Coates, L, Ng, J.D.
Deposit date:2010-12-24
Release date:2012-01-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.441 Å)
Cite:Inorganic pyrophosphatase crystals from Thermococcus thioreducens for X-ray and neutron diffraction.
Acta Crystallogr.,Sect.F, 68, 2012
2IHN
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BU of 2ihn by Molmil
Co-crystal of Bacteriophage T4 RNase H with a fork DNA substrate
Descriptor: 5'-D(*CP*TP*AP*AP*CP*TP*TP*TP*GP*AP*GP*GP*CP*AP*GP*AP*CP*C)-3', 5'-D(*GP*GP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*TP*AP*GP*TP*CP*AP*A)-3', Ribonuclease H
Authors:Devos, J.M, Mueser, T.C.
Deposit date:2006-09-26
Release date:2007-08-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of bacteriophage T4 5' nuclease in complex with a branched DNA reveals how FEN-1 family nucleases bind their substrates.
J.Biol.Chem., 282, 2007

217705

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