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PDB: 2129 results

4NUA
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BU of 4nua by Molmil
The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates
Descriptor: 1,2-ETHANEDIOL, 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, ...
Authors:Tsoumpra, M.K, Barnett, B.L, Muniz, J.R.C, Walter, R.L, Ebetino, F.H, von Delft, F, Russell, R.G.G, Oppermann, U, Dunford, J.E.
Deposit date:2013-12-03
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates
To be Published
4NG6
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BU of 4ng6 by Molmil
The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates
Descriptor: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ...
Authors:Tsoumpra, M.K, Muniz, J.R.C, Barnett, B.L, Pilka, E, Kwaasi, A.A, Kavanagh, K.L, Evdokimov, A, Walter, R.L, Ebetino, F.H, Oppermann, U, Russell, R.G.G, Dunford, J.E.
Deposit date:2013-11-01
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates
TO BE PUBLISHED
4P2T
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BU of 4p2t by Molmil
Crystal structure of Kaposi's sarcoma-associated herpesvirus (KSHV) protease in complex with a dimer disruptor
Descriptor: 6-(cyclohexylmethyl)-N-[4-(methylsulfonylcarbamoyl)-2-(phenylmethyl)phenyl]pyridine-2-carboxamide, DIMETHYL SULFOXIDE, KSHV Protease
Authors:Gable, J.E.
Deposit date:2014-03-04
Release date:2014-07-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Broad-spectrum allosteric inhibition of herpesvirus proteases.
Biochemistry, 53, 2014
4PER
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BU of 4per by Molmil
Structure of Gallus gallus ribonuclease inhibitor complexed with Gallus gallus ribonuclease I
Descriptor: Angiogenin, Ribonuclease Inhibitor
Authors:Bianchetti, C.M, Lomax, J.E, Raines, R.T, Fox, B.G.
Deposit date:2014-04-24
Release date:2014-06-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Functional evolution of ribonuclease inhibitor: insights from birds and reptiles.
J.Mol.Biol., 426, 2014
4PXT
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Structural basis for the assembly of the mitotic motor kinesin-5 into bipolar tetramers
Descriptor: Bipolar kinesin KRP-130
Authors:Scholey, J.E, Nithianantham, S, Scholey, J.M, Al-Bassam, J.
Deposit date:2014-03-25
Release date:2014-04-23
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for the assembly of the mitotic motor Kinesin-5 into bipolar tetramers.
Elife, 3, 2014
4Q3U
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BU of 4q3u by Molmil
Crystal structure of Schistosoma mansoni arginase in complex with inhibitor nor-NOHA
Descriptor: Arginase, GLYCEROL, MANGANESE (II) ION, ...
Authors:Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W.
Deposit date:2014-04-12
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis.
Biochemistry, 53, 2014
4Q3R
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Crystal structure of Schistosoma mansoni arginase in complex with inhibitor ABHDP
Descriptor: (R)-2-amino-6-borono-2-(1-(3,4-dichlorobenzyl)piperidin-4-yl)hexanoic acid, Arginase, CESIUM ION, ...
Authors:Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W.
Deposit date:2014-04-12
Release date:2014-07-16
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.169 Å)
Cite:Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis.
Biochemistry, 53, 2014
4Q40
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Crystal structure of Schistosoma mansoni arginase in complex with L-valine
Descriptor: Arginase, GLYCEROL, IMIDAZOLE, ...
Authors:Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W.
Deposit date:2014-04-12
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.831 Å)
Cite:Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis.
Biochemistry, 53, 2014
4MWB
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BU of 4mwb by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1509)
Descriptor: 1-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.313 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MW9
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BU of 4mw9 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3-ethynylbenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1478)
Descriptor: 1-{3-[(3-ethynylbenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4PXU
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BU of 4pxu by Molmil
Structural basis for the assembly of the mitotic motor kinesin-5 into bipolar tetramers
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Bipolar kinesin KRP-130
Authors:Scholey, J.E, Nithianantham, S, Scholey, J.M, Al-Bassam, J.
Deposit date:2014-03-25
Release date:2014-04-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Structural basis for the assembly of the mitotic motor Kinesin-5 into bipolar tetramers.
Elife, 3, 2014
4Q3P
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BU of 4q3p by Molmil
Crystal structure of Schistosoma mansoni arginase
Descriptor: Arginase, GLYCEROL, MANGANESE (II) ION
Authors:Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W.
Deposit date:2014-04-12
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis.
Biochemistry, 53, 2014
4Q3V
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BU of 4q3v by Molmil
Crystal structure of Schistosoma mansoni arginase in complex with inhibitor BEC
Descriptor: Arginase, GLYCEROL, MANGANESE (II) ION, ...
Authors:Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W.
Deposit date:2014-04-12
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis.
Biochemistry, 53, 2014
4MVW
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BU of 4mvw by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1433)
Descriptor: 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MWE
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BU of 4mwe by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[5-chloro-3-(prop-2-en-1-yl)-2-(prop-2-en-1-yloxy)benzyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1475)
Descriptor: 1-(3-{[5-chloro-3-(prop-2-en-1-yl)-2-(prop-2-en-1-yloxy)benzyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MW4
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BU of 4mw4 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(5-chloro-2-hydroxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1473)
Descriptor: 1-{3-[(5-chloro-2-hydroxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4N5R
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BU of 4n5r by Molmil
Hen egg-white lysozyme phased using free-electron laser data
Descriptor: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, GADOLINIUM ATOM, Lysozyme C
Authors:Barends, T.R.M, Foucar, L, Botha, S, Doak, R.B, Shoeman, R.L, Nass, K, Koglin, J.E, Williams, G.J, Boutet, S, Messerschmidt, M, Schlichting, I.
Deposit date:2013-10-10
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:De novo protein crystal structure determination from X-ray free-electron laser data.
Nature, 505, 2014
4NKF
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BU of 4nkf by Molmil
The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Farnesyl pyrophosphate synthase, ...
Authors:Tsoumpra, M.K, Barnett, B.L, Muniz, J.R.C, Walter, R.L, Ebetino, F.H, von Delft, F, Russell, R.G.G, Oppermann, U, Dunford, J.E.
Deposit date:2013-11-12
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates
To be Published
4Q41
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BU of 4q41 by Molmil
Crystal structure of Schistosoma mansoni arginase in complex with L-lysine
Descriptor: Arginase, GLYCEROL, LYSINE, ...
Authors:Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W.
Deposit date:2014-04-12
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis.
Biochemistry, 53, 2014
4Q3Q
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BU of 4q3q by Molmil
Crystal structure of Schistosoma mansoni arginase in complex with inhibitor ABH
Descriptor: 2(S)-AMINO-6-BORONOHEXANOIC ACID, Arginase, GLYCEROL, ...
Authors:Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W.
Deposit date:2014-04-12
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis.
Biochemistry, 53, 2014
4Q23
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BU of 4q23 by Molmil
The role of threonine 201 and tyrosine 204 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the nitrogen-containing bisphosphonates
Descriptor: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
Authors:Tsoumpra, M.K, Muniz, J.R.C, Barnett, B.L, Kwaasi, A.A, Pilka, E.S, Kavanagh, K.L, Evdokimov, A, Walter, R.L, Ebetino, F.H, von Delft, F, Oppermann, U, Russell, R.G.G, Dunford, J.E.
Deposit date:2014-04-05
Release date:2015-03-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:The role of threonine 201 and tyrosine 204 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the nitrogen-containing bisphosphonates
To be Published
4Q3S
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BU of 4q3s by Molmil
Crystal structure of Schistosoma mansoni arginase in complex with inhibitor ABHPE
Descriptor: Arginase, GLYCEROL, MANGANESE (II) ION, ...
Authors:Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W.
Deposit date:2014-04-12
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis.
Biochemistry, 53, 2014
4Q3T
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BU of 4q3t by Molmil
Crystal structure of Schistosoma mansoni arginase in complex with inhibitor NOHA
Descriptor: Arginase, GLYCEROL, MANGANESE (II) ION, ...
Authors:Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W.
Deposit date:2014-04-12
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.142 Å)
Cite:Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis.
Biochemistry, 53, 2014
4P3H
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BU of 4p3h by Molmil
Crystal structure of Kaposi's sarcoma-associated herpesvirus (KSHV) protease in complex with dimer disruptor
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, KSHV protease, ...
Authors:Gable, J.E.
Deposit date:2014-03-07
Release date:2014-07-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Broad-spectrum allosteric inhibition of herpesvirus proteases.
Biochemistry, 53, 2014
4MVX
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BU of 4mvx by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-phenylurea (Chem 1356)
Descriptor: 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-phenylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014

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