5IQX
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![BU of 5iqx by Molmil](/molmil-images/mine/5iqx) | 1.05A resolution structure of Holo HasAp (R33A) from Pseudomonas aeruginosa | Descriptor: | D-MALATE, Heme acquisition protein HasAp, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Kumar, R, Lovell, S, Battaile, K.P, Yao, H, Rivera, M. | Deposit date: | 2016-03-11 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | 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
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5HKY
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![BU of 5hky by Molmil](/molmil-images/mine/5hky) | Crystal structure of c-Cbl TKBD domain in complex with SPRY2 peptide (36-60, pY55) Refined to 1.8A Resolution (P6 form) | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase CBL, PENTAETHYLENE GLYCOL, ... | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Zhang, N, Cooper, A, Gao, P, Perez, R.P. | Deposit date: | 2016-01-14 | Release date: | 2017-01-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 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
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3LF5
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![BU of 3lf5 by Molmil](/molmil-images/mine/3lf5) | Structure of Human NADH cytochrome b5 oxidoreductase (Ncb5or) b5 Domain to 1.25A Resolution | Descriptor: | Cytochrome b5 reductase 4, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Deng, B, Parthasarathy, S, Wang, W, Gibney, B.R, Battaile, K.P, Lovell, S, Benson, D.R, Zhu, H. | Deposit date: | 2010-01-15 | Release date: | 2010-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | 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
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3GPH
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![BU of 3gph by Molmil](/molmil-images/mine/3gph) | |
3O00
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![BU of 3o00 by Molmil](/molmil-images/mine/3o00) | Crystal Structure of the Salmonella Type III Secretion System Tip Protein SipD-C244S | Descriptor: | Cell invasion protein sipD, NICKEL (II) ION | Authors: | Chatterjee, S, Zhong, D, Nordhues, B.A, Battaile, K.P, Lovell, S, DeGuzman, R.N. | Deposit date: | 2010-07-18 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The crystal structures of the Salmonella type III secretion system tip protein SipD in complex with deoxycholate and chenodeoxycholate. Protein Sci., 20, 2011
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3ISF
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![BU of 3isf by Molmil](/molmil-images/mine/3isf) | Structure of non-mineralized Bfrb (as-isolated) from Pseudomonas aeruginosa to 2.07A Resolution | Descriptor: | Bacterioferritin, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lovell, S, Weeratunga, S.K, Battaile, K.P, Rivera, M. | Deposit date: | 2009-08-25 | Release date: | 2010-02-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structural Studies of Bacterioferritin B from Pseudomonas aeruginosa Suggest a Gating Mechanism for Iron Uptake via the Ferroxidase Center Biochemistry, 49, 2010
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3IES
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![BU of 3ies by Molmil](/molmil-images/mine/3ies) | Firefly luciferase inhibitor complex | Descriptor: | 5'-O-[(R)-[({3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl}carbonyl)oxy](hydroxy)phosphoryl]adenosine, Luciferin 4-monooxygenase | Authors: | 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. | Deposit date: | 2009-07-23 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular basis for the high-affinity binding and stabilization of firefly luciferase by PTC124. Proc.Natl.Acad.Sci.USA, 107, 2010
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3ISE
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![BU of 3ise by Molmil](/molmil-images/mine/3ise) | Structure of mineralized Bfrb (double soak) from Pseudomonas aeruginosa to 2.8A Resolution | Descriptor: | Bacterioferritin, FE (III) ION, POTASSIUM ION, ... | Authors: | Lovell, S, Weeratunga, S.K, Battaile, K.P, Rivera, M. | Deposit date: | 2009-08-25 | Release date: | 2010-02-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Studies of Bacterioferritin B from Pseudomonas aeruginosa Suggest a Gating Mechanism for Iron Uptake via the Ferroxidase Center Biochemistry, 49, 2010
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3IER
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![BU of 3ier by Molmil](/molmil-images/mine/3ier) | Firefly luciferase apo structure (P41 form) with PEG 400 bound | Descriptor: | Luciferin 4-monooxygenase, TETRAETHYLENE GLYCOL | Authors: | 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. | Deposit date: | 2009-07-23 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Molecular basis for the high-affinity binding and stabilization of firefly luciferase by PTC124. Proc.Natl.Acad.Sci.USA, 107, 2010
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3MOK
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![BU of 3mok by Molmil](/molmil-images/mine/3mok) | Structure of Apo HasAp from Pseudomonas aeruginosa to 1.55A Resolution | Descriptor: | Heme acquisition protein HasAp, PHOSPHATE ION, SODIUM ION | Authors: | Lovell, S, Battaile, K.P, Jepkorir, G, Rodriguez, J.C, Rui, H, Im, W, Alontaga, A.Y, Yukl, E, Moenne-Loccoz, P, Rivera, M. | Deposit date: | 2010-04-22 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural, NMR Spectroscopic, and Computational Investigation of Hemin Loading in the Hemophore HasAp from Pseudomonas aeruginosa. J.Am.Chem.Soc., 132, 2010
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3IS7
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![BU of 3is7 by Molmil](/molmil-images/mine/3is7) | Structure of mineralized Bfrb from Pseudomonas aeruginosa to 2.1A Resolution | Descriptor: | Bacterioferritin, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lovell, S, Weeratunga, S.K, Battaile, K.P, Rivera, M. | Deposit date: | 2009-08-25 | Release date: | 2010-02-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Studies of Bacterioferritin B from Pseudomonas aeruginosa Suggest a Gating Mechanism for Iron Uptake via the Ferroxidase Center Biochemistry, 49, 2010
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3IEP
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![BU of 3iep by Molmil](/molmil-images/mine/3iep) | Firefly luciferase apo structure (P41 form) | Descriptor: | Luciferin 4-monooxygenase | Authors: | 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. | Deposit date: | 2009-07-23 | Release date: | 2010-02-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular basis for the high-affinity binding and stabilization of firefly luciferase by PTC124. Proc.Natl.Acad.Sci.USA, 107, 2010
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3O02
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![BU of 3o02 by Molmil](/molmil-images/mine/3o02) | The Crystal Structure of the Salmonella Type III Secretion System Tip Protein SipD in Complex with Chenodeoxycholate | Descriptor: | CHENODEOXYCHOLIC ACID, Cell invasion protein sipD, NICKEL (II) ION | Authors: | Chatterjee, S, Zhong, D, Nordhues, B.A, Battaile, K.P, Lovell, S, DeGuzman, R.N. | Deposit date: | 2010-07-18 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structures of the Salmonella type III secretion system tip protein SipD in complex with deoxycholate and chenodeoxycholate. Protein Sci., 20, 2011
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3O01
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![BU of 3o01 by Molmil](/molmil-images/mine/3o01) | The Crystal Structure of the Salmonella Type III Secretion System Tip Protein SipD in Complex with Deoxycholate | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, Cell invasion protein sipD, NICKEL (II) ION | Authors: | Chatterjee, S, Zhong, D, Nordhues, B.A, Battaile, K.P, Lovell, S, DeGuzman, R.N. | Deposit date: | 2010-07-18 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structures of the Salmonella type III secretion system tip protein SipD in complex with deoxycholate and chenodeoxycholate. Protein Sci., 20, 2011
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3MOM
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![BU of 3mom by Molmil](/molmil-images/mine/3mom) | Structure of holo HasAp H32A mutant complexed with imidazole from Pseudomonas aeruginosa to 2.25A Resolution | Descriptor: | Heme acquisition protein HasAp, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lovell, S, Battaile, K.P, Jepkorir, G, Rodriguez, J.C, Rui, H, Im, W, Alontaga, A.Y, Yukl, E, Moenne-Loccoz, P, Rivera, M. | Deposit date: | 2010-04-22 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural, NMR Spectroscopic, and Computational Investigation of Hemin Loading in the Hemophore HasAp from Pseudomonas aeruginosa. J.Am.Chem.Soc., 132, 2010
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3MOL
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![BU of 3mol by Molmil](/molmil-images/mine/3mol) | Structure of dimeric holo HasAp H32A Mutant from Pseudomonas aeruginosa to 1.20A Resolution | Descriptor: | Heme acquisition protein HasAp, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lovell, S, Battaile, K.P, Jepkorir, G, Rodriguez, J.C, Rui, H, Im, W, Alontaga, A.Y, Yukl, E, Moenne-Loccoz, P, Rivera, M. | Deposit date: | 2010-04-22 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural, NMR Spectroscopic, and Computational Investigation of Hemin Loading in the Hemophore HasAp from Pseudomonas aeruginosa. J.Am.Chem.Soc., 132, 2010
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3MHZ
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![BU of 3mhz by Molmil](/molmil-images/mine/3mhz) | 1.7A structure of 2-fluorohistidine labeled Protective Antigen | Descriptor: | CALCIUM ION, Protective antigen, TETRAETHYLENE GLYCOL | Authors: | 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. | Deposit date: | 2010-04-09 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Evidence that histidine protonation of receptor-bound anthrax protective antigen is a trigger for pore formation. Biochemistry, 49, 2010
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3NZZ
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![BU of 3nzz by Molmil](/molmil-images/mine/3nzz) | Crystal Structure of the Salmonella Type III Secretion System Tip Protein SipD | Descriptor: | Cell invasion protein sipD, NICKEL (II) ION | Authors: | Chatterjee, S, Zhong, D, Nordhues, B.A, Battaile, K.P, Lovell, S, DeGuzman, R.N. | Deposit date: | 2010-07-18 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The crystal structures of the Salmonella type III secretion system tip protein SipD in complex with deoxycholate and chenodeoxycholate. Protein Sci., 20, 2011
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3JVO
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![BU of 3jvo by Molmil](/molmil-images/mine/3jvo) | Crystal structure of bacteriophage HK97 gp6 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Gp6 | Authors: | Lam, R, Tuite, A, Battaile, K.P, Edwards, A.M, Maxwell, K.L, Chirgadze, N.Y. | Deposit date: | 2009-09-17 | Release date: | 2009-11-24 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The crystal structure of bacteriophage HK97 gp6: defining a large family of head-tail connector proteins. J.Mol.Biol., 395, 2010
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3IS8
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![BU of 3is8 by Molmil](/molmil-images/mine/3is8) | Structure of mineralized Bfrb soaked with FeSO4 from Pseudomonas aeruginosa to 2.25A Resolution | Descriptor: | Bacterioferritin, FE (II) ION, POTASSIUM ION, ... | Authors: | Lovell, S, Weeratunga, S.K, Battaile, K.P, Rivera, M. | Deposit date: | 2009-08-25 | Release date: | 2010-02-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural Studies of Bacterioferritin B from Pseudomonas aeruginosa Suggest a Gating Mechanism for Iron Uptake via the Ferroxidase Center Biochemistry, 49, 2010
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3K2A
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![BU of 3k2a by Molmil](/molmil-images/mine/3k2a) | 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
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3KBY
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![BU of 3kby by Molmil](/molmil-images/mine/3kby) | 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
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8W1F
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![BU of 8w1f by Molmil](/molmil-images/mine/8w1f) | Crystal Structure of DPS-like protein PA4880 from Pseudomonas aeruginosa (dodecamer, Mg bound) | Descriptor: | DPS-LIKE PROTEIN, FE (II) ION, MAGNESIUM ION, ... | Authors: | Lovell, S, Liu, L, Seibold, S, Battaile, K.P, Rivera, M. | Deposit date: | 2024-02-15 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Pseudomonas aeruginosa gene PA4880 encodes a Dps-like protein with a Dps fold, bacterioferritin-type ferroxidase centers, and endonuclease activity Front Mol Biosci, 2024
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8W1D
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![BU of 8w1d by Molmil](/molmil-images/mine/8w1d) | |
5TG1
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![BU of 5tg1 by Molmil](/molmil-images/mine/5tg1) | 1.40 A resolution structure of Norovirus 3CL protease in complex with the a m-chlorophenyl substituted macrocyclic inhibitor (17-mer) | Descriptor: | (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 | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Damalanka, V.C, Kim, Y, Kankanamalage, A.C.G, Chang, K.-O, Groutas, W.C. | Deposit date: | 2016-09-27 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 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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