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5IQX
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BU of 5iqx by Molmil
1.05A resolution structure of Holo HasAp (R33A) from Pseudomonas aeruginosa
分子名称: D-MALATE, Heme acquisition protein HasAp, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Kumar, R, Lovell, S, Battaile, K.P, Yao, H, Rivera, M.
登録日2016-03-11
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Replacing Arginine 33 for Alanine in the Hemophore HasA from Pseudomonas aeruginosa Causes Closure of the H32 Loop in the Apo-Protein.
Biochemistry, 55, 2016
5HKY
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BU of 5hky by Molmil
Crystal structure of c-Cbl TKBD domain in complex with SPRY2 peptide (36-60, pY55) Refined to 1.8A Resolution (P6 form)
分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase CBL, PENTAETHYLENE GLYCOL, ...
著者Lovell, S, Battaile, K.P, Mehzabeen, N, Zhang, N, Cooper, A, Gao, P, Perez, R.P.
登録日2016-01-14
公開日2017-01-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of c-Cbl TKBD domain in complex with SPRY2 peptide (36-60, pY55) Refined to 1.8A Resolution (P6 form)
To be published
3LF5
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BU of 3lf5 by Molmil
Structure of Human NADH cytochrome b5 oxidoreductase (Ncb5or) b5 Domain to 1.25A Resolution
分子名称: Cytochrome b5 reductase 4, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Deng, B, Parthasarathy, S, Wang, W, Gibney, B.R, Battaile, K.P, Lovell, S, Benson, D.R, Zhu, H.
登録日2010-01-15
公開日2010-07-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Study of the individual cytochrome b5 and cytochrome b5 reductase domains of Ncb5or reveals a unique heme pocket and a possible role of the CS domain.
J.Biol.Chem., 285, 2010
3GPH
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BU of 3gph by Molmil
Human cytochrome P450 2E1 in complex with omega-imidazolyl-decanoic acid
分子名称: 10-(1H-imidazol-1-yl)decanoic acid, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE
著者Porubsky, P.R, Battaile, K.P, Scott, E.E.
登録日2009-03-23
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Human cytochrome P450 2E1 structures with fatty acid analogs reveal a previously unobserved binding mode.
J.Biol.Chem., 285, 2010
3O00
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BU of 3o00 by Molmil
Crystal Structure of the Salmonella Type III Secretion System Tip Protein SipD-C244S
分子名称: Cell invasion protein sipD, NICKEL (II) ION
著者Chatterjee, S, Zhong, D, Nordhues, B.A, Battaile, K.P, Lovell, S, DeGuzman, R.N.
登録日2010-07-18
公開日2010-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The crystal structures of the Salmonella type III secretion system tip protein SipD in complex with deoxycholate and chenodeoxycholate.
Protein Sci., 20, 2011
3ISF
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BU of 3isf by Molmil
Structure of non-mineralized Bfrb (as-isolated) from Pseudomonas aeruginosa to 2.07A Resolution
分子名称: Bacterioferritin, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE
著者Lovell, S, Weeratunga, S.K, Battaile, K.P, Rivera, M.
登録日2009-08-25
公開日2010-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural Studies of Bacterioferritin B from Pseudomonas aeruginosa Suggest a Gating Mechanism for Iron Uptake via the Ferroxidase Center
Biochemistry, 49, 2010
3IES
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BU of 3ies by Molmil
Firefly luciferase inhibitor complex
分子名称: 5'-O-[(R)-[({3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl}carbonyl)oxy](hydroxy)phosphoryl]adenosine, Luciferin 4-monooxygenase
著者Lovell, S, Battaile, K.P, Auld, D.S, Thorne, N, Lea, W.A, Maloney, D.J, Shen, M, Raj, G, Thomas, C.J, Simeonov, A, Hanzlik, R.P, Inglese, J.
登録日2009-07-23
公開日2010-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular basis for the high-affinity binding and stabilization of firefly luciferase by PTC124.
Proc.Natl.Acad.Sci.USA, 107, 2010
3ISE
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BU of 3ise by Molmil
Structure of mineralized Bfrb (double soak) from Pseudomonas aeruginosa to 2.8A Resolution
分子名称: Bacterioferritin, FE (III) ION, POTASSIUM ION, ...
著者Lovell, S, Weeratunga, S.K, Battaile, K.P, Rivera, M.
登録日2009-08-25
公開日2010-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Studies of Bacterioferritin B from Pseudomonas aeruginosa Suggest a Gating Mechanism for Iron Uptake via the Ferroxidase Center
Biochemistry, 49, 2010
3IER
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BU of 3ier by Molmil
Firefly luciferase apo structure (P41 form) with PEG 400 bound
分子名称: Luciferin 4-monooxygenase, TETRAETHYLENE GLYCOL
著者Lovell, S, Battaile, K.P, Auld, D.S, Thorne, N, Lea, W.A, Maloney, D.J, Shen, M, Raj, G, Thomas, C.J, Simeonov, A, Hanzlik, R.P, Inglese, J.
登録日2009-07-23
公開日2010-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Molecular basis for the high-affinity binding and stabilization of firefly luciferase by PTC124.
Proc.Natl.Acad.Sci.USA, 107, 2010
3MOK
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BU of 3mok by Molmil
Structure of Apo HasAp from Pseudomonas aeruginosa to 1.55A Resolution
分子名称: Heme acquisition protein HasAp, PHOSPHATE ION, SODIUM ION
著者Lovell, S, Battaile, K.P, Jepkorir, G, Rodriguez, J.C, Rui, H, Im, W, Alontaga, A.Y, Yukl, E, Moenne-Loccoz, P, Rivera, M.
登録日2010-04-22
公開日2010-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural, NMR Spectroscopic, and Computational Investigation of Hemin Loading in the Hemophore HasAp from Pseudomonas aeruginosa.
J.Am.Chem.Soc., 132, 2010
3IS7
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BU of 3is7 by Molmil
Structure of mineralized Bfrb from Pseudomonas aeruginosa to 2.1A Resolution
分子名称: Bacterioferritin, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE
著者Lovell, S, Weeratunga, S.K, Battaile, K.P, Rivera, M.
登録日2009-08-25
公開日2010-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Studies of Bacterioferritin B from Pseudomonas aeruginosa Suggest a Gating Mechanism for Iron Uptake via the Ferroxidase Center
Biochemistry, 49, 2010
3IEP
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BU of 3iep by Molmil
Firefly luciferase apo structure (P41 form)
分子名称: Luciferin 4-monooxygenase
著者Lovell, S, Battaile, K.P, Auld, D.S, Thorne, N, Lea, W.A, Maloney, D.J, Shen, M, Raj, G, Thomas, C.J, Simeonov, A, Hanzlik, R.P, Inglese, J.
登録日2009-07-23
公開日2010-02-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular basis for the high-affinity binding and stabilization of firefly luciferase by PTC124.
Proc.Natl.Acad.Sci.USA, 107, 2010
3O02
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BU of 3o02 by Molmil
The Crystal Structure of the Salmonella Type III Secretion System Tip Protein SipD in Complex with Chenodeoxycholate
分子名称: CHENODEOXYCHOLIC ACID, Cell invasion protein sipD, NICKEL (II) ION
著者Chatterjee, S, Zhong, D, Nordhues, B.A, Battaile, K.P, Lovell, S, DeGuzman, R.N.
登録日2010-07-18
公開日2010-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The crystal structures of the Salmonella type III secretion system tip protein SipD in complex with deoxycholate and chenodeoxycholate.
Protein Sci., 20, 2011
3O01
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BU of 3o01 by Molmil
The Crystal Structure of the Salmonella Type III Secretion System Tip Protein SipD in Complex with Deoxycholate
分子名称: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, Cell invasion protein sipD, NICKEL (II) ION
著者Chatterjee, S, Zhong, D, Nordhues, B.A, Battaile, K.P, Lovell, S, DeGuzman, R.N.
登録日2010-07-18
公開日2010-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The crystal structures of the Salmonella type III secretion system tip protein SipD in complex with deoxycholate and chenodeoxycholate.
Protein Sci., 20, 2011
3MOM
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BU of 3mom by Molmil
Structure of holo HasAp H32A mutant complexed with imidazole from Pseudomonas aeruginosa to 2.25A Resolution
分子名称: Heme acquisition protein HasAp, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE
著者Lovell, S, Battaile, K.P, Jepkorir, G, Rodriguez, J.C, Rui, H, Im, W, Alontaga, A.Y, Yukl, E, Moenne-Loccoz, P, Rivera, M.
登録日2010-04-22
公開日2010-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural, NMR Spectroscopic, and Computational Investigation of Hemin Loading in the Hemophore HasAp from Pseudomonas aeruginosa.
J.Am.Chem.Soc., 132, 2010
3MOL
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BU of 3mol by Molmil
Structure of dimeric holo HasAp H32A Mutant from Pseudomonas aeruginosa to 1.20A Resolution
分子名称: Heme acquisition protein HasAp, PROTOPORPHYRIN IX CONTAINING FE
著者Lovell, S, Battaile, K.P, Jepkorir, G, Rodriguez, J.C, Rui, H, Im, W, Alontaga, A.Y, Yukl, E, Moenne-Loccoz, P, Rivera, M.
登録日2010-04-22
公開日2010-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural, NMR Spectroscopic, and Computational Investigation of Hemin Loading in the Hemophore HasAp from Pseudomonas aeruginosa.
J.Am.Chem.Soc., 132, 2010
3MHZ
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BU of 3mhz by Molmil
1.7A structure of 2-fluorohistidine labeled Protective Antigen
分子名称: CALCIUM ION, Protective antigen, TETRAETHYLENE GLYCOL
著者Lovell, S, Battaile, K.P, Wimalasena, D.S, Janowiak, B.E, Miyagi, M, Sun, J, Hajduch, J, Pooput, C, Kirk, K.L, Bann, J.G.
登録日2010-04-09
公開日2010-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Evidence that histidine protonation of receptor-bound anthrax protective antigen is a trigger for pore formation.
Biochemistry, 49, 2010
3NZZ
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BU of 3nzz by Molmil
Crystal Structure of the Salmonella Type III Secretion System Tip Protein SipD
分子名称: Cell invasion protein sipD, NICKEL (II) ION
著者Chatterjee, S, Zhong, D, Nordhues, B.A, Battaile, K.P, Lovell, S, DeGuzman, R.N.
登録日2010-07-18
公開日2010-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The crystal structures of the Salmonella type III secretion system tip protein SipD in complex with deoxycholate and chenodeoxycholate.
Protein Sci., 20, 2011
3JVO
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BU of 3jvo by Molmil
Crystal structure of bacteriophage HK97 gp6
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Gp6
著者Lam, R, Tuite, A, Battaile, K.P, Edwards, A.M, Maxwell, K.L, Chirgadze, N.Y.
登録日2009-09-17
公開日2009-11-24
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The crystal structure of bacteriophage HK97 gp6: defining a large family of head-tail connector proteins.
J.Mol.Biol., 395, 2010
3IS8
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BU of 3is8 by Molmil
Structure of mineralized Bfrb soaked with FeSO4 from Pseudomonas aeruginosa to 2.25A Resolution
分子名称: Bacterioferritin, FE (II) ION, POTASSIUM ION, ...
著者Lovell, S, Weeratunga, S.K, Battaile, K.P, Rivera, M.
登録日2009-08-25
公開日2010-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural Studies of Bacterioferritin B from Pseudomonas aeruginosa Suggest a Gating Mechanism for Iron Uptake via the Ferroxidase Center
Biochemistry, 49, 2010
3K2A
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BU of 3k2a by Molmil
Crystal structure of the homeobox domain of human homeobox protein Meis2
分子名称: ACETATE ION, CHLORIDE ION, Homeobox protein Meis2
著者Lam, R, Soloveychik, M, Battaile, K.P, Romanov, V, Lam, K, Beletskaya, I, Gordon, E, Pai, E.F, Chirgadze, N.Y.
登録日2009-09-29
公開日2010-10-13
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, Putative uncharacterized protein
著者Lam, R, Thompson, C.M, Battaile, K.P, Romanov, V, Kisselman, G, Gordon, E, Pai, E.F, Chirgadze, N.Y.
登録日2009-10-20
公開日2010-10-20
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of hypothetical protein from Staphylococcus aureus
To be Published
8W1F
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BU of 8w1f by Molmil
Crystal Structure of DPS-like protein PA4880 from Pseudomonas aeruginosa (dodecamer, Mg bound)
分子名称: DPS-LIKE PROTEIN, FE (II) ION, MAGNESIUM ION, ...
著者Lovell, S, Liu, L, Seibold, S, Battaile, K.P, Rivera, M.
登録日2024-02-15
公開日2024-05-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Pseudomonas aeruginosa gene PA4880 encodes a Dps-like protein with a Dps fold, bacterioferritin-type ferroxidase centers, and endonuclease activity
Front Mol Biosci, 2024
8W1D
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BU of 8w1d by Molmil
CRYSTAL STRUCTURE OF DPS-LIKE PROTEIN PA4880 FROM PSEUDOMONAS AERUGINOSA (DIMERIC FORM)
分子名称: DPS-LIKE PROTEIN, FE (II) ION
著者Lovell, S, Battaile, K.P, Rivera, M.
登録日2024-02-15
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Pseudomonas aeruginosa gene PA4880 encodes a Dps-like protein with a Dps fold, bacterioferritin-type ferroxidase centers, and endonuclease activity
Front Mol Biosci, 2024
5TG1
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1.40 A resolution structure of Norovirus 3CL protease in complex with the a m-chlorophenyl substituted macrocyclic inhibitor (17-mer)
分子名称: (4S,7S,17S)-17-(3-chlorophenyl)-7-(hydroxymethyl)-4-(2-methylpropyl)-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione, 3C-LIKE PROTEASE, CHLORIDE ION
著者Lovell, S, Battaile, K.P, Mehzabeen, N, Damalanka, V.C, Kim, Y, Kankanamalage, A.C.G, Chang, K.-O, Groutas, W.C.
登録日2016-09-27
公開日2017-01-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Design, synthesis, and evaluation of a novel series of macrocyclic inhibitors of norovirus 3CL protease.
Eur J Med Chem, 127, 2016

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