8G1V
| Crystal Structure Matriptase (C731S) in Complex with Inhibitor MM1132-2 | Descriptor: | CHLORIDE ION, GLYCEROL, N~2~-{[3-(acetamidomethyl)phenyl]acetyl}-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1,1-dihydroxypentan-2-yl]-L-leucinamide, ... | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Janetka, J.W. | Deposit date: | 2023-02-03 | Release date: | 2024-07-10 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Use of protease substrate specificity screening in the rational design of selective protease inhibitors with unnatural amino acids: Application to HGFA, matriptase, and hepsin. Protein Sci., 33, 2024
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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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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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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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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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7RT0
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8G1W
| Crystal Structure Matriptase (C731S) in Complex with Inhibitor VD4162B | Descriptor: | CHLORIDE ION, Cyclic peptide inhibitor (ACE)Y(DTR)(NLE)(KCM), Cyclic peptide inhibitor (ACE)Y(DTR)(NLE)(THZ), ... | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Janetka, J.W. | Deposit date: | 2023-02-03 | Release date: | 2024-02-07 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Mechanism-Based Macrocyclic Inhibitors of Serine Proteases. J.Med.Chem., 67, 2024
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2D23
| Crystal structure of EP complex of catalytic-site mutant xylanase from Streptomyces olivaceoviridis E-86 | Descriptor: | AZIDE ION, ENDO-1,4-BETA-D-XYLANASE, GLYCEROL, ... | Authors: | Suzuki, R, Kuno, A, Fujimoto, Z, Ito, S, Kawahara, S.I, Kaneko, S, Hasegawa, T, Taira, K. | Deposit date: | 2005-09-02 | Release date: | 2006-10-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystallographic snapshots of an entire reaction cycle for a retaining xylanase from Streptomyces olivaceoviridis E-86 J.Biochem., 146, 2009
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2D24
| Crystal structure of ES complex of catalytic-site mutant xylanase from Streptomyces olivaceoviridis E-86 | Descriptor: | ENDO-1,4-BETA-D-XYLANASE, GLYCEROL, SULFATE ION, ... | Authors: | Suzuki, R, Kuno, A, Fujimoto, Z, Ito, S, Kawahara, S.I, Kaneko, S, Hasegawa, T, Taira, K. | Deposit date: | 2005-09-02 | Release date: | 2006-10-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystallographic snapshots of an entire reaction cycle for a retaining xylanase from Streptomyces olivaceoviridis E-86 J.Biochem., 146, 2009
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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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2D22
| Crystal structure of covalent glycosyl-enzyme intermediate of catalytic-site mutant xylanase from Streptomyces olivaceoviridis E-86 | Descriptor: | ENDO-1,4-BETA-D-XYLANASE, GLYCEROL, SULFATE ION, ... | Authors: | Suzuki, R, Kuno, A, Fujimoto, Z, Ito, S, Kawahara, S.I, Kaneko, S, Hasegawa, T, Taira, K. | Deposit date: | 2005-09-02 | Release date: | 2006-10-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystallographic snapshots of an entire reaction cycle for a retaining xylanase from Streptomyces olivaceoviridis E-86 J.Biochem., 146, 2009
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2D1Z
| Crystal structure of catalytic-site mutant xylanase from Streptomyces olivaceoviridis E-86 | Descriptor: | ENDO-1,4-BETA-D-XYLANASE, GLYCEROL, SULFATE ION | Authors: | Suzuki, R, Kuno, A, Fujimoto, Z, Ito, S, Kawahara, S.I, Kaneko, S, Hasegawa, T, Taira, K. | Deposit date: | 2005-09-02 | Release date: | 2006-10-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystallographic snapshots of an entire reaction cycle for a retaining xylanase from Streptomyces olivaceoviridis E-86 J.Biochem., 146, 2009
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2D20
| Crystal structure of michaelis complex of catalytic-site mutant xylanase from Streptomyces olivaceoviridis E-86 | Descriptor: | ENDO-1,4-BETA-D-XYLANASE, GLYCEROL, P-NITROPHENOL, ... | Authors: | Suzuki, R, Kuno, A, Fujimoto, Z, Ito, S, Kawahara, S.I, Kaneko, S, Hasegawa, T, Taira, K. | Deposit date: | 2005-09-02 | Release date: | 2006-10-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystallographic snapshots of an entire reaction cycle for a retaining xylanase from Streptomyces olivaceoviridis E-86 J.Biochem., 146, 2009
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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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3KOR
| 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
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1NBK
| The structure of RNA aptamer for HIV Tat complexed with two argininamide molecules | Descriptor: | 2-AMINO-5-GUANIDINO-PENTANOIC ACID, RNA aptamer | Authors: | Matsugami, A, Kobayashi, S, Ouhashi, K, Uesugi, S, Yamamoto, R, Taira, K, Nishikawa, S, Kumar, P.K.R, Katahira, M. | Deposit date: | 2002-12-03 | Release date: | 2003-12-03 | Last modified: | 2024-09-18 | Method: | SOLUTION NMR | Cite: | Structural Basis of the Highly Efficient Trapping of the HIV Tat Protein by an RNA Aptamer Structure, 11, 2003
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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: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of hypothetical protein from Staphylococcus aureus To be Published
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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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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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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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2Z5D
| Human ubiquitin-conjugating enzyme E2 H | Descriptor: | SODIUM ION, Ubiquitin-conjugating enzyme E2 H | Authors: | Bochkarev, A, Cui, H, Walker, J.R, Newman, E.M, Mackenzie, F, Battaile, K.P, Sundstrom, M, Arrowsmith, C, Edwards, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-07-06 | Release date: | 2007-10-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen. MOL.CELL PROTEOMICS, 11, 2012
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3GPH
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2OBA
| 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
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2HA8
| Methyltransferase Domain of Human TAR (HIV-1) RNA binding protein 1 | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, TAR (HIV-1) RNA loop binding protein | Authors: | Min, J, Wu, H, Zeng, H, Loppnau, P, Battaile, K, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2006-06-12 | Release date: | 2006-07-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Crystal Structure of Methyltransferase Domain of Human TAR (HIV-1) RNA binding protein 1 in complex with S-adenosyl-L-homocystein. To be Published
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2O4D
| 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
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