8GBU
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![BU of 8gbu by Molmil](/molmil-images/mine/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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3RGM
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![BU of 3rgm by Molmil](/molmil-images/mine/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
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![BU of 4tmd by Molmil](/molmil-images/mine/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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4PFZ
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![BU of 4pfz by Molmil](/molmil-images/mine/4pfz) | |
4TWR
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![BU of 4twr by Molmil](/molmil-images/mine/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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6X9N
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![BU of 6x9n by Molmil](/molmil-images/mine/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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8DOF
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![BU of 8dof by Molmil](/molmil-images/mine/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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6X9F
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![BU of 6x9f by Molmil](/molmil-images/mine/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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6CKG
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![BU of 6ckg by Molmil](/molmil-images/mine/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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5UUI
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![BU of 5uui by Molmil](/molmil-images/mine/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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6CAU
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![BU of 6cau by Molmil](/molmil-images/mine/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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6U94
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![BU of 6u94 by Molmil](/molmil-images/mine/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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3M8D
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![BU of 3m8d by Molmil](/molmil-images/mine/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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3RGN
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![BU of 3rgn by Molmil](/molmil-images/mine/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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3M8B
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![BU of 3m8b by Molmil](/molmil-images/mine/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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8UOA
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![BU of 8uoa by Molmil](/molmil-images/mine/8uoa) | Structure of the synaptic vesicle protein 2A Luminal domain in complex with a nanobody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody, Synaptic vesicle glycoprotein 2A, ... | Authors: | Mittal, A, Martin, M.F, Levin, E, Adams, C, Yang, M, Ledecq, M, Horanyi, P.S, Coleman, J.A. | Deposit date: | 2023-10-19 | Release date: | 2024-05-22 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structures of synaptic vesicle protein 2A and 2B bound to anticonvulsants. Nat.Struct.Mol.Biol., 2024
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8UO8
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![BU of 8uo8 by Molmil](/molmil-images/mine/8uo8) | Structure of synaptic vesicle protein 2B with padsevonil | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, (4R)-4-(2-chloro-2,2-difluoroethyl)-1-{[(4R)-2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl}pyrrolidin-2-one, 1,2-DIDECANOYL-SN-GLYCERO-3-[PHOSPHO-L-SERINE], ... | Authors: | Martin, M.F, Mittal, A, Levin, E, Adams, C, Yang, M, Ledecq, M, Horanyi, P.S, Coleman, J.A. | Deposit date: | 2023-10-19 | Release date: | 2024-05-22 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structures of synaptic vesicle protein 2A and 2B bound to anticonvulsants. Nat.Struct.Mol.Biol., 2024
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8UO9
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![BU of 8uo9 by Molmil](/molmil-images/mine/8uo9) | Structure of synaptic vesicle protein 2A in complex with a nanobody | Descriptor: | (4R)-1-{[(4S)-2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl}-4-(4,4,4-trifluorobutyl)pyrrolidin-2-one, 1,2-DIDECANOYL-SN-GLYCERO-3-[PHOSPHO-L-SERINE], 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Mittal, A, Martin, M.F, Levin, E, Adams, C, Yang, M, Ledecq, M, Horanyi, P.S, Coleman, J.A. | Deposit date: | 2023-10-19 | Release date: | 2024-05-22 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structures of synaptic vesicle protein 2A and 2B bound to anticonvulsants. Nat.Struct.Mol.Biol., 2024
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4IRG
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![BU of 4irg by Molmil](/molmil-images/mine/4irg) | Uninhibited DNA-binding domain of the Ets transcription factor ERG | Descriptor: | 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 (1.7 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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4IRH
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![BU of 4irh by Molmil](/molmil-images/mine/4irh) | Auto-inhibited ERG Ets domain | Descriptor: | 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: | 2013-08-28 | Method: | X-RAY DIFFRACTION (2.1 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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4IRI
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![BU of 4iri by Molmil](/molmil-images/mine/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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4IL3
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![BU of 4il3 by Molmil](/molmil-images/mine/4il3) | Crystal Structure of S. mikatae Ste24p | Descriptor: | Ste24p, ZINC ION | Authors: | Pryor Jr, E.E, Horanyi, P.S, Clark, K, Fedoriw, N, Connelly, S.M, Koszelak-Rosenblum, M, Zhu, G, Malkowski, M.G, Dumont, M.E, Wiener, M.C, Membrane Protein Structural Biology Consortium (MPSBC) | Deposit date: | 2012-12-28 | Release date: | 2013-02-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.102 Å) | Cite: | Structure of the integral membrane protein CAAX protease Ste24p. Science, 339, 2013
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6TZ7
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![BU of 6tz7 by Molmil](/molmil-images/mine/6tz7) | Crystal Structure of Aspergillus fumigatus Calcineurin A, Calcineurin B, FKBP12 and FK506 (Tacrolimus) | Descriptor: | 1,2-ETHANEDIOL, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, ... | Authors: | Fox III, D, Horanyi, P.S. | Deposit date: | 2019-08-10 | Release date: | 2019-09-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents. Nat Commun, 10, 2019
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1UPS
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![BU of 1ups by Molmil](/molmil-images/mine/1ups) | GlcNAc[alpha]1-4Gal releasing endo-[beta]-galactosidase from Clostridium perfringens | Descriptor: | CALCIUM ION, GLCNAC-ALPHA-1,4-GAL-RELEASING ENDO-BETA-GALACTOSIDASE | Authors: | Tempel, W, Liu, Z.-J, Horanyi, P.S, Deng, L, Lee, D, Newton, M.G, Rose, J.P, Ashida, H, Li, S.-C, Li, Y.-T, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2003-10-10 | Release date: | 2004-11-25 | Last modified: | 2019-08-21 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Three-dimensional structure of GlcNAcalpha1-4Gal releasing endo-beta-galactosidase from Clostridium perfringens. Proteins, 59, 2005
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1ZD0
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![BU of 1zd0 by Molmil](/molmil-images/mine/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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