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2WIU
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BU of 2wiu by Molmil
Mercury-modified bacterial persistence regulator hipBA
Descriptor: CHLORIDE ION, HTH-TYPE TRANSCRIPTIONAL REGULATOR HIPB, MERCURY (II) ION, ...
Authors:Evdokimov, A, Voznesensky, I, Fennell, K, Anderson, M, Smith, J.F, Fisher, D.A.
Deposit date:2009-05-17
Release date:2009-07-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:New Kinase Regulation Mechanism Found in Hipba: A Bacterial Persistence Switch.
Acta Crystallogr.,Sect.D, 65, 2009
7ML9
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BU of 7ml9 by Molmil
The Mpp75Aa1.1 beta-pore-forming protein from Brevibacillus laterosporus
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Insecticidal protein, ...
Authors:Rydel, T.J, Zheng, M, Evdokimov, A.
Deposit date:2021-04-27
Release date:2021-05-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural and functional characterization of Mpp75Aa1.1, a putative beta-pore forming protein from Brevibacillus laterosporus active against the western corn rootworm.
Plos One, 16, 2021
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
4RHZ
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BU of 4rhz by Molmil
Crystal structure of Cry23Aa1 and Cry37Aa1 binary protein complex
Descriptor: CALCIUM ION, Cry23AA1, Cry37AA1, ...
Authors:Rydel, T.J, Williams, J.M, Brown, G.R, Guzov, V.M, Sturman, E.J, Evdokimov, A.
Deposit date:2014-10-03
Release date:2015-10-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The Associated Bacillus thuringiensis Binary Protein Complex of Cry23Aa1 and Cry37Aa1: Crystal Structure, Insecticidal Data, and Pore Formation Modeling.
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
4N9U
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BU of 4n9u by Molmil
The role of lysine 200 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the nitrogen-containing bisphosphonates
Descriptor: 1,2-ETHANEDIOL, 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 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:2013-10-21
Release date:2014-10-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:The role of lysine 200 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the nitrogen-containing bisphosphonates
TO BE PUBLISHED
2QIS
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BU of 2qis by Molmil
Crystal structure of human farnesyl pyrophosphate synthase T210S mutant bound to risedronate
Descriptor: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthetase, MAGNESIUM ION
Authors:Kavanagh, K.L, Dunford, J.E, Hozjan, V, Evdokimov, A, Gileadi, O, von Delft, F, Weigelt, J, Arrowsmith, C.H, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2007-07-05
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human farnesyl pyrophosphate synthase T210S mutant bound to risedronate.
To be Published
3UE8
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BU of 3ue8 by Molmil
Kynurenine Aminotransferase II Inhibitors
Descriptor: (5-hydroxy-4-{[(1-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate, CHLORIDE ION, Kynurenine/alpha-aminoadipate aminotransferase, ...
Authors:Dounay, A.B, Anderson, M, Bechle, B.M, Campbell, B.M, Claffey, M.M, Evdokimov, A, Edelweiss, E, Fonseca, K.R, Gan, X, Ghosh, S, Hayward, M.M, Horner, W, Kim, J.Y, McAllister, L.A, Pandit, J, Paradis, V, Parikh, V.D, Reese, M.R, Rong, S.B, Salafia, M.A, Schuyten, K, Strick, C.A, Tuttle, J.B, Valentine, J, Wang, H, Zawadzke, L.E, Verhoest, P.R.
Deposit date:2011-10-28
Release date:2012-02-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Discovery of Brain-Penetrant, Irreversible Kynurenine Aminotransferase II Inhibitors for Schizophrenia.
ACS Med Chem Lett, 3, 2012
3TCM
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BU of 3tcm by Molmil
Crystal Structure of Alanine Aminotransferase from Hordeum vulgare
Descriptor: Alanine aminotransferase 2, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE
Authors:Rydel, T.J, Sturman, E.J, Halls, C, Chen, S, Zeng, J, Evdokimov, A, Duff, S.M.G.
Deposit date:2011-08-09
Release date:2012-07-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:The Enzymology of alanine aminotransferase (AlaAT) isoforms from Hordeum vulgare and other organisms, and the HvAlaAT crystal structure.
Arch.Biochem.Biophys., 528, 2012
3PBT
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BU of 3pbt by Molmil
Crystal structure of PBP3 complexed with MC-1
Descriptor: (4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-1-[({4-[(2R)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-4-formyl-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oate, Penicillin-binding protein 3
Authors:Han, S, Evdokimov, A.
Deposit date:2010-10-20
Release date:2010-12-22
Last modified:2012-02-08
Method:X-RAY DIFFRACTION (1.641 Å)
Cite:Structural basis for effectiveness of siderophore-conjugated monocarbams against clinically relevant strains of Pseudomonas aeruginosa.
Proc.Natl.Acad.Sci.USA, 107, 2010
3PES
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BU of 3pes by Molmil
Crystal structure of uncharacterized protein from Pseudomonas phage YuA
Descriptor: Uncharacterized protein gp49
Authors:Nocek, B, Stein, A, Evdokimove, A, Egorova, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-10-27
Release date:2010-12-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of uncharacterized protein from Pseudomonas phage YuA
TO BE PUBLISHED
7S4E
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BU of 7s4e by Molmil
Crystal Structure of ligand ACBi1 in complex with bromodomain of human Smarca2 and pVHL:ElonginC:ElonginB complex
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Elongin-B, ...
Authors:MacPherson, D.J, Sherman, W.
Deposit date:2021-09-08
Release date:2022-10-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Predicting the structural basis of targeted protein degradation by integrating molecular dynamics simulations with structural mass spectrometry.
Nat Commun, 13, 2022
6WPC
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BU of 6wpc by Molmil
Crystal structure of Bacillus thuringiensis Cry1A.2 tryptic core variant
Descriptor: Cry1A.2
Authors:Rydel, T.J, Evdokimov, A.
Deposit date:2020-04-27
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Bacillus thuringiensis chimeric proteins Cry1A.2 and Cry1B.2 to control soybean lepidopteran pests: New domain combinations enhance insecticidal spectrum of activity and novel receptor contributions.
Plos One, 16, 2021
6D0O
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BU of 6d0o by Molmil
rdpA dioxygenase holoenzyme
Descriptor: (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, 2-OXOGLUTARIC ACID, COBALT (II) ION
Authors:Rydel, T.J, Sturman, E.J, Zheng, M, Evdokimov, A.
Deposit date:2018-04-10
Release date:2018-08-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops.
Pest Manag. Sci., 75, 2019
6OWK
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BU of 6owk by Molmil
Crystal structure of a Bacillus thuringiensis Cry1B.867 tryptic core variant
Descriptor: Pesticidal crystal protein Cry1Be, Cry1K-like protein chimera
Authors:Rydel, T.J, Evdokimov, A, Beishir, S.C.
Deposit date:2019-05-10
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.698 Å)
Cite:Bacillus thuringiensis Cry1Da_7 and Cry1B.868 Protein Interactions with Novel Receptors Allow Control of Resistant Fall Armyworms, Spodoptera frugiperda (J.E. Smith).
Appl.Environ.Microbiol., 85, 2019
2HK5
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BU of 2hk5 by Molmil
Hck Kinase in Complex with Lck targetted Inhibitor PG-1009247
Descriptor: 3-{[2-(1H-BENZIMIDAZOL-1-YL)-6-{[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN-4-YL]AMINO}-4-METHYLPHENOL, Tyrosine-protein kinase HCK
Authors:Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Sabat, M.P.
Deposit date:2006-07-03
Release date:2006-09-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:The development of 2-benzimidazole substituted pyrimidine based inhibitors of lymphocyte specific kinase (Lck).
Bioorg.Med.Chem.Lett., 16, 2006
2C00
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BU of 2c00 by Molmil
Crystal Structure of Biotin Carboxylase from Pseudomonas aeruginosa in apo form
Descriptor: BIOTIN CARBOXYLASE, SULFATE ION
Authors:Mochalkin, I.
Deposit date:2008-03-21
Release date:2008-09-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Evidence for Substrate-Induced Synergism and Half-Sites Reactivity in Biotin Carboxylase.
Protein Sci., 17, 2008
3TPE
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BU of 3tpe by Molmil
The phipa p3121 structure
Descriptor: Serine/threonine-protein kinase HipA
Authors:Schumacher, M.A, Link, T, Brennan, R.G.
Deposit date:2011-09-07
Release date:2012-10-03
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Role of Unusual P Loop Ejection and Autophosphorylation in HipA-Mediated Persistence and Multidrug Tolerance.
Cell Rep, 2, 2012
3TPD
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BU of 3tpd by Molmil
Structure of pHipA, monoclinic form
Descriptor: CHLORIDE ION, PHOSPHATE ION, Serine/threonine-protein kinase HipA
Authors:schumacher, M.A, link, T, Brennan, R.G.
Deposit date:2011-09-07
Release date:2012-10-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Role of Unusual P Loop Ejection and Autophosphorylation in HipA-Mediated Persistence and Multidrug Tolerance.
Cell Rep, 2, 2012
3TPB
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BU of 3tpb by Molmil
Structure of HipA(S150A)
Descriptor: CHLORIDE ION, PHOSPHATE ION, Serine/threonine-protein kinase HipA
Authors:schumacher, M.A.
Deposit date:2011-09-07
Release date:2012-10-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Role of Unusual P Loop Ejection and Autophosphorylation in HipA-Mediated Persistence and Multidrug Tolerance.
Cell Rep, 2, 2012
3TPV
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BU of 3tpv by Molmil
Structure of pHipA bound to ADP
Descriptor: ADENINE, SULFATE ION, Serine/threonine-protein kinase HipA
Authors:Schumacher, M.A, Link, T.M, Brennan, R.G.
Deposit date:2011-09-08
Release date:2012-10-03
Last modified:2012-10-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Role of Unusual P Loop Ejection and Autophosphorylation in HipA-Mediated Persistence and Multidrug Tolerance.
Cell Rep, 2, 2012
2HFP
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BU of 2hfp by Molmil
Crystal Structure of PPAR Gamma with N-sulfonyl-2-indole carboxamide ligands
Descriptor: 3-(4-METHOXYPHENYL)-N-(PHENYLSULFONYL)-1-[3-(TRIFLUOROMETHYL)BENZYL]-1H-INDOLE-2-CARBOXAMIDE, Peroxisome proliferator-activated receptor gamma, SRC Peptide Fragment
Authors:Pokross, M.E, Evdokimov, A.G, Walter, R.L, Mekel, M.J, Hopkins, C.R.
Deposit date:2006-06-25
Release date:2006-09-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and synthesis of novel N-sulfonyl-2-indole carboxamides as potent PPAR-gamma binding agents with potential application to the treatment of osteoporosis.
Bioorg.Med.Chem.Lett., 16, 2006
3TPT
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BU of 3tpt by Molmil
Structure of HipA(D309Q) bound to ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, SULFATE ION, ...
Authors:schumacher, M.A, link, T, Brennan, R.G.
Deposit date:2011-09-08
Release date:2012-10-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Role of Unusual P Loop Ejection and Autophosphorylation in HipA-Mediated Persistence and Multidrug Tolerance.
Cell Rep, 2, 2012
3PBO
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BU of 3pbo by Molmil
Crystal structure of PBP3 complexed with ceftazidime
Descriptor: ACYLATED CEFTAZIDIME, Penicillin-binding protein 3
Authors:Han, S.
Deposit date:2010-10-20
Release date:2010-12-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural basis for effectiveness of siderophore-conjugated monocarbams against clinically relevant strains of Pseudomonas aeruginosa.
Proc.Natl.Acad.Sci.USA, 107, 2010
3PBN
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BU of 3pbn by Molmil
Crystal Structure of Apo PBP3 from Pseudomonas aeruginosa
Descriptor: Penicillin-binding protein 3
Authors:Han, S.
Deposit date:2010-10-20
Release date:2010-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for effectiveness of siderophore-conjugated monocarbams against clinically relevant strains of Pseudomonas aeruginosa.
Proc.Natl.Acad.Sci.USA, 107, 2010

 

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