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5KEF
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BU of 5kef by Molmil
Structure of hypothetical Staphylococcus protein SA0856 with zinc
Descriptor: ACETATE ION, PhnB protein, ZINC ION
Authors:Battaile, K.P, Chirgadze, Y.N, Lam, R, Chan, T, Mihajlovic, V, Romanov, V, Pai, E, Mendez, V, Chirgadze, N.Y.
Deposit date:2016-06-09
Release date:2017-01-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Crystal structure of Staphylococcus aureus Zn-glyoxalase I: new subfamily of glyoxalase I family.
J. Biomol. Struct. Dyn., 36, 2018
2IHY
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BU of 2ihy by Molmil
Structure of the Staphylococcus aureus putative ATPase subunit of an ATP-binding cassette (ABC) transporter
Descriptor: ABC transporter, ATP-binding protein, SULFATE ION
Authors:McGrath, T.E, Yu, C.S, Romanov, V, Lam, R, Dharamsi, A, Virag, C, Mansoury, K, Thambipillai, D, Richards, D, Guthrie, J, Edwards, A.M, Pai, E.F, Chirgadze, N.Y.
Deposit date:2006-09-27
Release date:2007-09-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the Staphylococcus aureus putative ATPase subunit of an ATP-binding cassette (ABC) transporter
To be Published
7KLX
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BU of 7klx by Molmil
Protein Tyrosine Phosphatase 1B with inhibitor
Descriptor: 2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-hydroxybenzoic acid, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
Authors:Battaile, K.P, Chirgadze, Y, Ruzanov, M, Romanov, V, Lam, K, Gordon, R, Lin, A, Lam, R, Pai, E, Chirgadze, N.
Deposit date:2020-11-01
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.839 Å)
Cite:Signal transfer in human protein tyrosine phosphatase PTP1B from allosteric inhibitor P00058.
J.Biomol.Struct.Dyn., 2021
7KEY
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BU of 7key by Molmil
Protein Tyrosine Phosphatase 1B, Apo
Descriptor: ACETATE ION, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
Authors:Battaile, K.P, Chirgadze, Y, Ruzanov, M, Romanov, V, Lam, K, Gordon, R, Lin, A, Lam, R, Pai, E, Chirgadze, N.
Deposit date:2020-10-13
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.771 Å)
Cite:Signal transfer in human protein tyrosine phosphatase PTP1B from allosteric inhibitor P00058.
J.Biomol.Struct.Dyn., 2021
3L5A
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BU of 3l5a by Molmil
Crystal structure of a probable NADH-dependent flavin oxidoreductase from Staphylococcus aureus
Descriptor: NADH/flavin oxidoreductase/NADH oxidase, TRIETHYLENE GLYCOL
Authors:Lam, R, Gordon, R.D, Vodsedalek, J, Battaile, K.P, Grebemeskel, S, Lam, K, Romanov, V, Chan, T, Mihajlovic, V, Thompson, C.M, Guthrie, J, Pai, E.F, Chirgadze, N.Y.
Deposit date:2009-12-21
Release date:2010-12-22
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of a probable NADH-dependent flavin oxidoreductase from Staphylococcus aureus
To be Published
3L20
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BU of 3l20 by Molmil
Crystal structure of a hypothetical protein from Staphylococcus aureus
Descriptor: Putative uncharacterized protein
Authors:Lam, R, Chan, T, Battaile, K.P, Mihajlovic, V, Romanov, V, Soloveychik, M, Kisselman, G, McGrath, T.E, Lam, K, Pai, E.F, Chirgadze, N.Y.
Deposit date:2009-12-14
Release date:2010-10-27
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.451 Å)
Cite:Crystal structure of a hypothetical protein from Staphylococcus aureus
To be Published
3CXN
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BU of 3cxn by Molmil
Structure of the Urease Accessory Protein UreF from Helicobacter pylori
Descriptor: GLYCEROL, Urease accessory protein ureF
Authors:Lam, R, Johns, K, Romanov, V, Dong, A, Wu-Brown, J, Guthrie, J, Dharamsi, A, Thambipillai, D, Mansoury, K, Edwards, A.M, Pai, E.F, Chirgadze, N.Y.
Deposit date:2008-04-24
Release date:2009-05-12
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of a truncated urease accessory protein UreF from Helicobacter pylori.
Proteins, 78, 2010
3D7R
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BU of 3d7r by Molmil
Crystal structure of a putative esterase from Staphylococcus aureus
Descriptor: BROMIDE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Lam, R, Battaile, K.P, Chan, T, Romanov, V, Lam, K, Soloveychik, M, Wu-Brown, J, Pai, E.F, Chirgadze, N.Y.
Deposit date:2008-05-21
Release date:2009-06-09
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structure of a putative esterase from Staphylococcus aureus
To be Published
3E2I
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BU of 3e2i by Molmil
Crystal structure of Thymidine Kinase from S. aureus
Descriptor: GLYCEROL, Thymidine kinase, ZINC ION
Authors:Lam, R, Johns, K, Battaile, K.P, Romanov, V, Lam, K, Pai, E.F, Chirgadze, N.Y.
Deposit date:2008-08-05
Release date:2009-08-11
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structure of Thymidine Kinase from S. aureus
To be Published
2OBA
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BU of 2oba by Molmil
Pseudomonas aeruginosa 6-pyruvoyl tetrahydrobiopterin synthase
Descriptor: Probable 6-pyruvoyl tetrahydrobiopterin synthase, ZINC ION
Authors:McGrath, T.E, Kisselman, G, Battaile, K, Romanov, V, Wu-Brown, J, Guthrie, J, Virag, C, Mansoury, K, Edwards, A.M, Pai, E.F, Chirgadze, N.Y.
Deposit date:2006-12-18
Release date:2007-01-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Pseudomonas aeruginosa 6-pyruvoyl tetrahydrobiopterin synthase
TO BE PUBLISHED
2O4D
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BU of 2o4d by Molmil
Crystal Structure of a hypothetical protein from Pseudomonas aeruginosa
Descriptor: Hypothetical protein PA0269
Authors:McGrath, T.E, Battaile, K, Kisselman, G, Romanov, V, Wu-Brown, J, Virag, C, Ng, I, Kimber, M, Edwards, A.M, Pai, E.F, Chirgadze, N.Y.
Deposit date:2006-12-04
Release date:2007-01-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of a hypothetical protein from Pseudomonas aeruginosa
To be Published
2Q5R
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BU of 2q5r by Molmil
Structure of apo Staphylococcus aureus D-tagatose-6-phosphate kinase
Descriptor: Tagatose-6-phosphate kinase
Authors:McGrath, T.E, Soloveychik, M, Romanov, V, Thambipillai, D, Dharamsi, A, Virag, C, Domagala, M, Pai, E.F, Edwards, A.M, Battaile, K, Chirgadze, N.Y.
Deposit date:2007-06-01
Release date:2007-06-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of apo Staphylococcus aureus D-tagatose-6-phosphate kinase
TO BE PUBLISHED
4FS3
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BU of 4fs3 by Molmil
Crystal structure of Staphylococcus aureus enoyl-ACP reductase in complex with NADP and AFN-1252
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI, N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide, [[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
Authors:Kaplan, N, Yethon, J, Bardouniotis, E, Thalakada, R, Albert, M, Awrey, D.E, Romanov, V, Dorsey, M, Ramnauth, J, Clarke, T.E, Schmid, M.B, Berman, J, Pauls, H.W.
Deposit date:2012-06-26
Release date:2012-09-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mode of Action, In Vitro Activity, and In Vivo Efficacy of AFN-1252, a Selective Antistaphylococcal FabI Inhibitor.
Antimicrob.Agents Chemother., 56, 2012
4H1O
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BU of 4h1o by Molmil
Crystal structure of the tyrosine phosphatase SHP-2 with D61G mutation
Descriptor: 1,2-ETHANEDIOL, Tyrosine-protein phosphatase non-receptor type 11
Authors:Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battaile, K, Chirgadze, N.Y.
Deposit date:2012-09-11
Release date:2013-09-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the tyrosine phosphatase SHP-2 with D61G mutation
To be Published
4H34
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BU of 4h34 by Molmil
Crystal structure of the tyrosine phosphatase SHP-2 with Q506P mutation
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 11
Authors:Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battaile, K, Chirgadze, N.Y.
Deposit date:2012-09-13
Release date:2013-10-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of the tyrosine phosphatase SHP-2 with Q506P mutation
To be Published
4GWF
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BU of 4gwf by Molmil
Crystal structure of the tyrosine phosphatase SHP-2 with Y279C mutation
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battaile, K, Chirgadze, N.Y.
Deposit date:2012-09-03
Release date:2013-09-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the tyrosine phosphatase SHP-2 with Y279C mutation
TO BE PUBLISHED
3K2A
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BU of 3k2a by Molmil
Crystal structure of the homeobox domain of human homeobox protein Meis2
Descriptor: ACETATE ION, CHLORIDE ION, Homeobox protein Meis2
Authors:Lam, R, Soloveychik, M, Battaile, K.P, Romanov, V, Lam, K, Beletskaya, I, Gordon, E, Pai, E.F, Chirgadze, N.Y.
Deposit date:2009-09-29
Release date:2010-10-13
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of the homeobox domain of human homeobox protein Meis2
To be Published
3KBY
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BU of 3kby by Molmil
Crystal structure of hypothetical protein from Staphylococcus aureus
Descriptor: 1,2-ETHANEDIOL, Putative uncharacterized protein
Authors:Lam, R, Thompson, C.M, Battaile, K.P, Romanov, V, Kisselman, G, Gordon, E, Pai, E.F, Chirgadze, N.Y.
Deposit date:2009-10-20
Release date:2010-10-20
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of hypothetical protein from Staphylococcus aureus
To be Published
3KOR
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BU of 3kor by Molmil
Crystal structure of a putative Trp repressor from Staphylococcus aureus
Descriptor: Possible Trp repressor
Authors:Lam, R, Vodsedalek, J, Lam, K, Romanov, V, Battaile, K.P, Beletskaya, I, Pai, E.F, Chirgadze, N.Y.
Deposit date:2009-11-13
Release date:2010-11-17
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of a putative Trp repressor from Staphylococcus aureus
To be Published
3KWL
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BU of 3kwl by Molmil
Crystal structure of a hypothetical protein from Helicobacter pylori
Descriptor: uncharacterized protein
Authors:Lam, R, Thompson, C.M, Vodsedalek, J, Lam, K, Romanov, V, Battaile, K.P, Beletskaya, I, Gordon, E, Pai, E.F, Chirgadze, N.Y.
Deposit date:2009-12-01
Release date:2010-12-01
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal structure of a hypothetical protein from Helicobacter pylori
To be Published
4TJW
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BU of 4tjw by Molmil
Crystal Structure of human Tankyrase 2 in complex with PJ-34.
Descriptor: N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, Tankyrase-2, ZINC ION
Authors:Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
Deposit date:2014-05-25
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
4TKG
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BU of 4tkg by Molmil
Crystal Structure of human Tankyrase 2 in complex with AZD2281.
Descriptor: 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, GLYCEROL, Tankyrase-2, ...
Authors:Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
Deposit date:2014-05-26
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
4TK5
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BU of 4tk5 by Molmil
Crystal Structure of human Tankyrase 2 in complex with EB47.
Descriptor: 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, Tankyrase-2, ZINC ION
Authors:Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
Deposit date:2014-05-25
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
4TJY
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BU of 4tjy by Molmil
Crystal Structure of human Tankyrase 2 in complex with ABT-888.
Descriptor: 2-[(2S)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-7-carboxamide, Tankyrase-2, ZINC ION
Authors:Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
Deposit date:2014-05-25
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
4TKI
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BU of 4tki by Molmil
Crystal Structure of human Tankyrase 2 in complex with BSI-201.
Descriptor: 4-iodo-3-nitrobenzamide, ISOPROPYL ALCOHOL, Tankyrase-2, ...
Authors:Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
Deposit date:2014-05-26
Release date:2014-10-15
Last modified:2022-10-12
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014

 

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