8GBU
 
 | | Hepatitis B capsid Y132A mutant with compound AB-506 | | Descriptor: | (1-methyl-1H-1,2,4-triazol-3-yl)methyl {(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl}carbamate, 1,2-ETHANEDIOL, Capsid protein | | Authors: | Horanyi, P.S, Mayclin, S.J. | | Deposit date: | 2023-02-28 | | Release date: | 2023-09-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Design, synthesis, and structure-activity relationship of a bicyclic HBV capsid assembly modulator chemotype leading to the identification of clinical candidate AB-506.
Bioorg.Med.Chem.Lett., 94, 2023
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4PFZ
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3RGM
 | | Crystal structure of spin-labeled BtuB T156R1 | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MAGNESIUM ION, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, ... | | Authors: | Horanyi, P.S, Freed, D.M, Wiener, M.C, Cafiso, D.S. | | Deposit date: | 2011-04-08 | | Release date: | 2011-10-26 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Molecular Origin of Electron Paramagnetic Resonance Line Shapes on β-Barrel Membrane Proteins: The Local Solvation Environment Modulates Spin-Label Configuration
Biochemistry, 50, 2011
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4TMD
 | | X-ray structure of Putative uncharacterized protein (Rv0999 ortholog) from Mycobacterium smegmatis | | Descriptor: | IODIDE ION, Uncharacterized protein | | Authors: | Horanyi, P.S, Dranow, D.M, Abendroth, J, Lorimer, D, Edwards, T, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2014-06-01 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray structure of Putative uncharacterized protein (Rv0999 ortholog) from Mycobacterium smegmatis
To Be Published
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4TWR
 | | Structure of UDP-glucose 4-epimerase from Brucella abortus | | Descriptor: | NAD binding site:NAD-dependent epimerase/dehydratase:UDP-glucose 4-epimerase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | | Authors: | Horanyi, P.S, Abendroth, J, Lorimer, D, Edwards, T, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2014-07-01 | | Release date: | 2014-10-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of UDP-glucose 4-epimerase from Brucella melitensis
To Be Published
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8DOF
 | | Pseudomonas aeruginosa MurC with WYH9-2-P - OSA_001044 | | Descriptor: | (2R)-2-cyclohexyl-2-[(4-{[5-(propan-2-yl)-1H-pyrazol-3-yl]amino}-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]ethan-1-ol, 1,2-ETHANEDIOL, SULFATE ION, ... | | Authors: | Horanyi, P.S, Wang, Y, Todd, M.H, Abendroth, J, Edwards, T, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2022-07-13 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Pseudomonas aeruginosa MurC with WYH9-2-P - OSA_001044
To Be Published
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1XHC
 | | NADH oxidase /nitrite reductase from Pyrococcus furiosus Pfu-1140779-001 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADH oxidase /nitrite reductase | | Authors: | Horanyi, P, Tempel, W, Weinberg, M.V, Liu, Z.-J, Shah, A, Chen, L, Lee, D, Sugar, F.J, Brereton, P.S, Izumi, M, Poole II, F.L, Shah, C, Jenney Jr, F.E, Arendall III, W.B, Rose, J.P, Adams, M.W.W, Richardson, J.S, Richardson, D.C, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2004-09-17 | | Release date: | 2004-11-23 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | NADH oxidase /nitrite reductase from Pyrococcus furiosus Pfu-1140779-001
To be published
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1Y82
 | | Conserved hypothetical protein Pfu-367848-001 from Pyrococcus furiosus | | Descriptor: | UNKNOWN ATOM OR ION, hypothetical protein | | Authors: | Horanyi, P, Tempel, W, Habel, J, Chen, L, Lee, D, Nguyen, D, Chang, S.-H, Florence, Q, Zhou, W, Lin, D, Zhang, H, Praissman, J, Jenney Jr, F.E, Adams, M.W.W, Liu, Z.-J, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2004-12-10 | | Release date: | 2005-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Conserved hypothetical protein Pfu-367848-001 from Pyrococcus furiosus
To be published
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1YD7
 | | Conserved hypothetical protein Pfu-1647980-001 from Pyrococcus furiosus | | Descriptor: | 2-keto acid:ferredoxin oxidoreductase subunit alpha, UNKNOWN ATOM OR ION | | Authors: | Horanyi, P, Florence, Q, Zhou, W, Chang, J, Zhao, M, Habel, J, Xu, H, Chen, L, Lee, D, Nguyen, D, Chang, S.-H, Tempel, W, Lin, D, Zhang, H, Praissman, J, Jenney Jr, F.E, Adams, M.W.W, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2004-12-23 | | Release date: | 2005-02-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Conserved hypothetical protein Pfu-1647980-001 from Pyrococcus furiosus
To be published
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6CAU
 | | UDP-N-acetylmuramate--alanine ligase from Acinetobacter baumannii AB5075-UW with AMPPNP | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, UDP-N-acetylmuramate--L-alanine ligase | | Authors: | Horanyi, P.S, Abendroth, J, Lorimer, D.D, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2018-01-31 | | Release date: | 2018-03-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | UDP-N-acetylmuramate--alanine ligase from Acinetobacter baumannii AB5075-UW with AMPPNP
To be Published
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5UUI
 | | Crystal Structure of Spin-Labeled T77C TNFa | | Descriptor: | S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, Tumor necrosis factor | | Authors: | Horanyi, P.S, Dranow, D.M, Ceska, T. | | Deposit date: | 2017-02-16 | | Release date: | 2017-08-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Natural Conformational Sampling of Human TNF alpha Visualized by Double Electron-Electron Resonance.
Biophys. J., 113, 2017
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6CKG
 | | D-glycerate 3-kinase from Cryptococcus neoformans var. grubii serotype A (H99 / ATCC 208821 / CBS 10515 / FGSC 9487) | | Descriptor: | 1,2-ETHANEDIOL, D-glycerate 3-kinase | | Authors: | Horanyi, P.S, Abendroth, J, Lorimer, D.D, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2018-02-28 | | Release date: | 2018-04-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | D-glycerate 3-kinase from Cryptococcus neoformans var. grubii serotype A (H99 / ATCC 208821 / CBS 10515 / FGSC 9487)
To be Published
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6X9F
 | | Pseudomonas aeruginosa MurC with AZ8074 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Horanyi, P.S, Mayclin, S.J, Durand-Reville, T.F, Lorimer, D.D, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2020-06-02 | | Release date: | 2020-09-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Pseudomonas aeruginosa MurC with AZ8074
To Be Published
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6X9N
 | | Pseudomonas aeruginosa MurC with AZ5595 | | Descriptor: | (2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethan-1-ol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Horanyi, P.S, Mayclin, S.J, Durand-Reville, T.F, Lorimer, D.D, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2020-06-03 | | Release date: | 2020-09-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Pseudomonas aeruginosa MurC with AZ5595
To Be Published
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6U94
 | | Structure of RND efflux system, outer membrane lipoprotein, NodT family from Burkholderia mallei ATCC 23344 | | Descriptor: | GLYCEROL, RND efflux system, outer membrane lipoprotein, ... | | Authors: | Horanyi, P.S, Fox III, D, Abendroth, J, Lorimer, D, Edwards, T, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2019-09-06 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of RND efflux system, outer membrane lipoprotein, NodT family from Burkholderia mallei ATCC 23344
To Be Published
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2FZF
 | | Hypothetical Protein Pfu-1136390-001 From Pyrococcus furiosus | | Descriptor: | hypothetical protein | | Authors: | Fu, Z.-Q, Liu, Z.-J, Lee, D, Kelley, L, Chen, L, Tempel, W, Shah, N, Horanyi, P, Lee, H.S, Habel, J, Dillard, B.D, Nguyen, D, Chang, S.-H, Zhang, H, Chang, J, Sugar, F.J, Poole, F.L, Jenney Jr, F.E, Adams, M.W.W, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2006-02-09 | | Release date: | 2006-02-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Hypothetical Protein Pfu-1136390-001 From Pyrococcus furiosus
To be published
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1ZD0
 | | Crystal structure of Pfu-542154 conserved hypothetical protein | | Descriptor: | MAGNESIUM ION, METHANOL, UNKNOWN ATOM OR ION, ... | | Authors: | Habel, J.E, Liu, Z.J, Horanyi, P.S, Florence, Q.J.T, Tempel, W, Zhou, W, Chen, L, Lee, D, Nguyen, J, Chang, S.H, Bereton, P, Izumi, M, Jenny Jr, F.E, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2005-04-13 | | Release date: | 2005-05-17 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of Pfu-542154 conserved hypothetical protein
To be Published
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1ZTD
 | | Hypothetical Protein Pfu-631545-001 From Pyrococcus furiosus | | Descriptor: | Hypothetical Protein Pfu-631545-001 | | Authors: | Fu, Z.-Q, Horanyi, P, Florence, Q, Liu, Z.-J, Chen, L, Lee, D, Habel, J, Xu, H, Nguyen, D, Chang, S.-H, Zhou, W, Zhang, H, Jenney Jr, F.E, Sha, B, Adams, M.W.W, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2005-05-26 | | Release date: | 2005-06-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Hypothetical Protein Pfu-631545-001 From Pyrococcus furiosus
To be Published
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2PO5
 | | Crystal structure of human ferrochelatase mutant with His 263 replaced by Cys | | Descriptor: | CHOLIC ACID, FE2/S2 (INORGANIC) CLUSTER, Ferrochelatase, ... | | Authors: | Dailey, H.A, Wu, C.-K, Horanyi, P, Medlock, A.E, Najahi-Missaoui, A.E.W, Burden, A, Dailey, T.A, Rose, J.P. | | Deposit date: | 2007-04-25 | | Release date: | 2007-10-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Altered orientation of active site residues in variants of human ferrochelatase. Evidence for a hydrogen bond network involved in catalysis
Biochemistry, 46, 2007
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2PNJ
 | | Crystal structure of human ferrochelatase mutant with Phe 337 replaced by Ala | | Descriptor: | CHOLIC ACID, FE2/S2 (INORGANIC) CLUSTER, Ferrochelatase, ... | | Authors: | Dailey, H.A, Wu, C.-K, Horanyi, P, Medlock, A.E, Najahi-Missaoui, W, Burden, A.E, Dailey, T.A, Rose, J.P. | | Deposit date: | 2007-04-24 | | Release date: | 2007-10-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Altered orientation of active site residues in variants of human ferrochelatase. Evidence for a hydrogen bond network involved in catalysis
Biochemistry, 46, 2007
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3RGN
 | | Crystal structure of spin-labeled BtuB W371R1 | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MAGNESIUM ION, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, ... | | Authors: | Freed, D.M, Horanyi, P.S, Wiener, M.C, Cafiso, D.S. | | Deposit date: | 2011-04-08 | | Release date: | 2011-10-26 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular Origin of Electron Paramagnetic Resonance Line Shapes on β-Barrel Membrane Proteins: The Local Solvation Environment Modulates Spin-Label Configuration
Biochemistry, 50, 2011
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2PO7
 | | Crystal structure of human ferrochelatase mutant with His 341 replaced by Cys | | Descriptor: | CHOLIC ACID, FE2/S2 (INORGANIC) CLUSTER, Ferrochelatase, ... | | Authors: | Dailey, H.A, Wu, C.-K, Horanyi, P, Medlock, A.E, Najahi-Missaoui, W, Burden, A, Dailey, T.A, Rose, J.P. | | Deposit date: | 2007-04-25 | | Release date: | 2007-10-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Altered orientation of active site residues in variants of human ferrochelatase. Evidence for a hydrogen bond network involved in catalysis.
Biochemistry, 46, 2007
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4IRI
 | | Auto-inhibited ERG Ets Domain-DNA Complex | | Descriptor: | DNA (5'-D(*CP*CP*AP*CP*TP*TP*CP*CP*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*GP*GP*AP*AP*GP*TP*GP*G)-3'), Transcriptional regulator ERG | | Authors: | Regan, M.C, Horanyi, P.S, Pryor, E.E, Sarver, J.L, Cafiso, D.S, Bushweller, J.H. | | Deposit date: | 2013-01-14 | | Release date: | 2013-07-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Structural and dynamic studies of the transcription factor ERG reveal DNA binding is allosterically autoinhibited.
Proc.Natl.Acad.Sci.USA, 110, 2013
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3M8D
 | | Crystal structure of spin-labeled BtuB V10R1 with bound calcium and cyanocobalamin | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CALCIUM ION, CYANOCOBALAMIN, ... | | Authors: | Freed, D.M, Horanyi, P.S, Wiener, M.C, Cafiso, D.S. | | Deposit date: | 2010-03-17 | | Release date: | 2010-09-15 | | Last modified: | 2021-08-18 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Conformational exchange in a membrane transport protein is altered in protein crystals.
Biophys.J., 99, 2010
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3M8B
 | | Crystal structure of spin-labeled BtuB V10R1 in the apo state | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MAGNESIUM ION, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, ... | | Authors: | Freed, D.M, Horanyi, P.S, Wiener, M.C, Cafiso, D.S. | | Deposit date: | 2010-03-17 | | Release date: | 2010-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Conformational exchange in a membrane transport protein is altered in protein crystals.
Biophys.J., 99, 2010
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