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2WIU
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BU of 2wiu by Molmil
Mercury-modified bacterial persistence regulator hipBA
分子名称: CHLORIDE ION, HTH-TYPE TRANSCRIPTIONAL REGULATOR HIPB, MERCURY (II) ION, ...
著者Evdokimov, A, Voznesensky, I, Fennell, K, Anderson, M, Smith, J.F, Fisher, D.A.
登録日2009-05-17
公開日2009-07-28
最終更新日2012-04-04
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Insecticidal protein, ...
著者Rydel, T.J, Zheng, M, Evdokimov, A.
登録日2021-04-27
公開日2021-05-05
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献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
分子名称: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
著者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.
登録日2014-04-05
公開日2015-03-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献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
分子名称: CALCIUM ION, Cry23AA1, Cry37AA1, ...
著者Rydel, T.J, Williams, J.M, Brown, G.R, Guzov, V.M, Sturman, E.J, Evdokimov, A.
登録日2014-10-03
公開日2015-10-28
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The Associated Bacillus thuringiensis Binary Protein Complex of Cry23Aa1 and Cry37Aa1: Crystal Structure, Insecticidal Data, and Pore Formation Modeling.
To be Published
3PES
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BU of 3pes by Molmil
Crystal structure of uncharacterized protein from Pseudomonas phage YuA
分子名称: Uncharacterized protein gp49
著者Nocek, B, Stein, A, Evdokimove, A, Egorova, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2010-10-27
公開日2010-12-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structure of uncharacterized protein from Pseudomonas phage YuA
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
分子名称: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthetase, MAGNESIUM ION
著者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)
登録日2007-07-05
公開日2007-07-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of human farnesyl pyrophosphate synthase T210S mutant bound to risedronate.
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
分子名称: 1,2-ETHANEDIOL, 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, ...
著者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.
登録日2013-10-21
公開日2014-10-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献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
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
分子名称: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ...
著者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.
登録日2013-11-01
公開日2014-11-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献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
3PBT
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BU of 3pbt by Molmil
Crystal structure of PBP3 complexed with MC-1
分子名称: (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
著者Han, S, Evdokimov, A.
登録日2010-10-20
公開日2010-12-22
最終更新日2012-02-08
実験手法X-RAY DIFFRACTION (1.641 Å)
主引用文献Structural basis for effectiveness of siderophore-conjugated monocarbams against clinically relevant strains of Pseudomonas aeruginosa.
Proc.Natl.Acad.Sci.USA, 107, 2010
3TCM
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BU of 3tcm by Molmil
Crystal Structure of Alanine Aminotransferase from Hordeum vulgare
分子名称: Alanine aminotransferase 2, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE
著者Rydel, T.J, Sturman, E.J, Halls, C, Chen, S, Zeng, J, Evdokimov, A, Duff, S.M.G.
登録日2011-08-09
公開日2012-07-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献The Enzymology of alanine aminotransferase (AlaAT) isoforms from Hordeum vulgare and other organisms, and the HvAlaAT crystal structure.
Arch.Biochem.Biophys., 528, 2012
3UE8
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BU of 3ue8 by Molmil
Kynurenine Aminotransferase II Inhibitors
分子名称: (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, ...
著者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.
登録日2011-10-28
公開日2012-02-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.22 Å)
主引用文献Discovery of Brain-Penetrant, Irreversible Kynurenine Aminotransferase II Inhibitors for Schizophrenia.
ACS Med Chem Lett, 3, 2012
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
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Elongin-B, ...
著者MacPherson, D.J, Sherman, W.
登録日2021-09-08
公開日2022-10-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Predicting the structural basis of targeted protein degradation by integrating molecular dynamics simulations with structural mass spectrometry.
Nat Commun, 13, 2022
6OWK
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BU of 6owk by Molmil
Crystal structure of a Bacillus thuringiensis Cry1B.867 tryptic core variant
分子名称: Pesticidal crystal protein Cry1Be, Cry1K-like protein chimera
著者Rydel, T.J, Evdokimov, A, Beishir, S.C.
登録日2019-05-10
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.698 Å)
主引用文献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
2C00
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BU of 2c00 by Molmil
Crystal Structure of Biotin Carboxylase from Pseudomonas aeruginosa in apo form
分子名称: BIOTIN CARBOXYLASE, SULFATE ION
著者Mochalkin, I.
登録日2008-03-21
公開日2008-09-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Evidence for Substrate-Induced Synergism and Half-Sites Reactivity in Biotin Carboxylase.
Protein Sci., 17, 2008
6WPC
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BU of 6wpc by Molmil
Crystal structure of Bacillus thuringiensis Cry1A.2 tryptic core variant
分子名称: Cry1A.2
著者Rydel, T.J, Evdokimov, A.
登録日2020-04-27
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献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
分子名称: (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, 2-OXOGLUTARIC ACID, COBALT (II) ION
著者Rydel, T.J, Sturman, E.J, Zheng, M, Evdokimov, A.
登録日2018-04-10
公開日2018-08-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops.
Pest Manag. Sci., 75, 2019
2VR1
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BU of 2vr1 by Molmil
Crystal structure of Biotin carboxylase from E. coli in complex with ATP analog, ADPCF2P.
分子名称: BIOTIN CARBOXYLASE, CHLORIDE ION, PHOSPHODIFLUOROMETHYLPHOSPHONIC ACID-ADENYLATE ESTER
著者Mochalkin, I, Waldrop, G.L.
登録日2008-03-24
公開日2008-09-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Evidence for Substrate-Induced Synergism and Half-Sites Reactivity in Biotin Carboxylase.
Protein Sci., 17, 2008
2VPQ
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BU of 2vpq by Molmil
Crystal structure of biotin carboxylase from S. aureus complexed with AMPPNP
分子名称: ACETYL-COA CARBOXYLASE, CHLORIDE ION, MAGNESIUM ION, ...
著者Mochalkin, I.
登録日2008-03-03
公開日2008-09-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Evidence for Substrate-Induced Synergism and Half-Sites Reactivity in Biotin Carboxylase.
Protein Sci., 17, 2008
2VQD
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BU of 2vqd by Molmil
Crystal Structure of Biotin Carboxylase from Pseudomonas aeruginosa complexed with AMPCP
分子名称: BIOTIN CARBOXYLASE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
著者Mochalkin, I.
登録日2008-03-13
公開日2008-09-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structural Evidence for Substrate-Induced Synergism and Half-Sites Reactivity in Biotin Carboxylase.
Protein Sci., 17, 2008
2HK5
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BU of 2hk5 by Molmil
Hck Kinase in Complex with Lck targetted Inhibitor PG-1009247
分子名称: 3-{[2-(1H-BENZIMIDAZOL-1-YL)-6-{[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN-4-YL]AMINO}-4-METHYLPHENOL, Tyrosine-protein kinase HCK
著者Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Sabat, M.P.
登録日2006-07-03
公開日2006-09-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The development of 2-benzimidazole substituted pyrimidine based inhibitors of lymphocyte specific kinase (Lck).
Bioorg.Med.Chem.Lett., 16, 2006
3PBO
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BU of 3pbo by Molmil
Crystal structure of PBP3 complexed with ceftazidime
分子名称: ACYLATED CEFTAZIDIME, Penicillin-binding protein 3
著者Han, S.
登録日2010-10-20
公開日2010-12-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献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
分子名称: Penicillin-binding protein 3
著者Han, S.
登録日2010-10-20
公開日2010-12-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for effectiveness of siderophore-conjugated monocarbams against clinically relevant strains of Pseudomonas aeruginosa.
Proc.Natl.Acad.Sci.USA, 107, 2010
3PBS
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BU of 3pbs by Molmil
Crystal structure of PBP3 complexed with aztreonam
分子名称: 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, Penicillin-binding protein 3
著者Han, S.
登録日2010-10-20
公開日2010-12-22
最終更新日2011-08-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for effectiveness of siderophore-conjugated monocarbams against clinically relevant strains of Pseudomonas aeruginosa.
Proc.Natl.Acad.Sci.USA, 107, 2010
3PBQ
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BU of 3pbq by Molmil
Crystal structure of PBP3 complexed with imipenem
分子名称: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Penicillin-binding protein 3
著者Han, S.
登録日2010-10-20
公開日2010-12-22
最終更新日2011-08-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for effectiveness of siderophore-conjugated monocarbams against clinically relevant strains of Pseudomonas aeruginosa.
Proc.Natl.Acad.Sci.USA, 107, 2010
3PBR
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BU of 3pbr by Molmil
Crystal structure of PBP3 complexed with meropenem
分子名称: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Penicillin-binding protein 3
著者Han, S.
登録日2010-10-20
公開日2010-12-22
最終更新日2012-05-16
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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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