8FHJ
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![BU of 8fhj by Molmil](/molmil-images/mine/8fhj) | Crystal structure of a FAD monooxygenease from Methylocystis sp. Strain SB2 | Descriptor: | BROMIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Stewart, A.M, Sawaya, M.R, Stewart, C.E. | Deposit date: | 2022-12-14 | Release date: | 2023-05-03 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Crystal structure of MbnF: an NADPH-dependent flavin monooxygenase from Methylocystis strain SB2. Acta Crystallogr.,Sect.F, 79, 2023
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6OQW
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![BU of 6oqw by Molmil](/molmil-images/mine/6oqw) | E. coli ATP synthase State 3a | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | Authors: | Stewart, A.G, Sobti, M, Walshe, J.L. | Deposit date: | 2019-04-29 | Release date: | 2020-06-24 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch. Nat Commun, 11, 2020
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6OQS
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![BU of 6oqs by Molmil](/molmil-images/mine/6oqs) | E. coli ATP synthase State 1b | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | Authors: | Stewart, A.G, Sobti, M, Walshe, J.L. | Deposit date: | 2019-04-29 | Release date: | 2020-06-03 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch. Nat Commun, 11, 2020
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6OQT
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![BU of 6oqt by Molmil](/molmil-images/mine/6oqt) | E. coli ATP synthase State 1c | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | Authors: | Stewart, A.G, Sobti, M, Walshe, J.L. | Deposit date: | 2019-04-29 | Release date: | 2020-06-03 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch. Nat Commun, 11, 2020
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6PQV
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![BU of 6pqv by Molmil](/molmil-images/mine/6pqv) | E. coli ATP Synthase State 1e | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | Authors: | Stewart, A.G, Sobti, M, Walshe, J.L. | Deposit date: | 2019-07-10 | Release date: | 2020-06-03 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch. Nat Commun, 11, 2020
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6OQV
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![BU of 6oqv by Molmil](/molmil-images/mine/6oqv) | E. coli ATP Synthase State 2b | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | Authors: | Stewart, A.G, Sobti, M, Walshe, J.L. | Deposit date: | 2019-04-29 | Release date: | 2020-06-03 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch. Nat Commun, 11, 2020
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6OQR
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![BU of 6oqr by Molmil](/molmil-images/mine/6oqr) | E. coli ATP Synthase ADP State 1a | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | Authors: | Stewart, A.G, Walshe, J.L, Sobti, M. | Deposit date: | 2019-04-29 | Release date: | 2020-06-03 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch. Nat Commun, 11, 2020
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6OQU
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![BU of 6oqu by Molmil](/molmil-images/mine/6oqu) | E. coli ATP synthase State 1d | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | Authors: | Stewart, A.G, Sobti, M, Walshe, J.L. | Deposit date: | 2019-04-29 | Release date: | 2020-06-03 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch. Nat Commun, 11, 2020
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2JB4
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![BU of 2jb4 by Molmil](/molmil-images/mine/2jb4) | Isopenicillin N synthase with a 2-thiabicycloheptan-6-one product analogue | Descriptor: | (1S,4S,5S,7R)-7-{[(5S)-5-AMINO-5-CARBOXYPENTANOYL]AMINO}-3,3-DIMETHYL-6-OXO-2-THIABICYCLO[3.2.0]HEPTANE-4-CARBOXYLIC ACID, FE (III) ION, GLYCEROL, ... | Authors: | Stewart, A.C, Clifton, I.J, Adlington, R.M, Baldwin, J.E, Rutledge, P.J. | Deposit date: | 2006-12-01 | Release date: | 2007-10-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | A Cyclobutanone Analogue Mimics Penicillin in Binding to Isopenicillin N Synthase. Chembiochem, 8, 2007
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4XCI
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![BU of 4xci by Molmil](/molmil-images/mine/4xci) | Crystal structure of a hexadecameric TF55 complex from S. solfataricus, crystal form II | Descriptor: | Thermosome subunit alpha, Thermosome subunit beta | Authors: | Stewart, A.G, Chaston, J.J, Smits, C, Stock, D. | Deposit date: | 2014-12-18 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.0023 Å) | Cite: | Structural and Functional Insights into the Evolution and Stress Adaptation of Type II Chaperonins. Structure, 24, 2016
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4XCG
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![BU of 4xcg by Molmil](/molmil-images/mine/4xcg) | Crystal structure of a hexadecameric TF55 complex from S. solfataricus, crystal form I | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Thermosome subunit alpha, Thermosome subunit beta | Authors: | Stewart, A.G, Smits, C, Chaston, J.J, Stock, D. | Deposit date: | 2014-12-18 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.737 Å) | Cite: | Structural and Functional Insights into the Evolution and Stress Adaptation of Type II Chaperonins. Structure, 24, 2016
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1MKP
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![BU of 1mkp by Molmil](/molmil-images/mine/1mkp) | CRYSTAL STRUCTURE OF PYST1 (MKP3) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, PYST1 | Authors: | Stewart, A.E, Dowd, S, Keyse, S, Mcdonald, N.Q. | Deposit date: | 1998-07-11 | Release date: | 1999-07-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of the MAPK phosphatase Pyst1 catalytic domain and implications for regulated activation. Nat.Struct.Biol., 6, 1999
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6WNQ
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![BU of 6wnq by Molmil](/molmil-images/mine/6wnq) | E. coli ATP Synthase State 2a | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | Authors: | Stewart, A.G, Sobti, M, Walshe, J.L. | Deposit date: | 2020-04-23 | Release date: | 2020-06-03 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch. Nat Commun, 11, 2020
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6WNR
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![BU of 6wnr by Molmil](/molmil-images/mine/6wnr) | E. coli ATP synthase State 3b | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | Authors: | Stewart, A.G, Sobti, M, Walshe, J.L. | Deposit date: | 2020-04-23 | Release date: | 2020-06-03 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch. Nat Commun, 11, 2020
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6VWK
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![BU of 6vwk by Molmil](/molmil-images/mine/6vwk) | |
3V6I
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![BU of 3v6i by Molmil](/molmil-images/mine/3v6i) | Crystal structure of the peripheral stalk of Thermus thermophilus H+-ATPase/synthase at 2.25 A resolution | Descriptor: | CALCIUM ION, SODIUM ION, V-type ATP synthase subunit E, ... | Authors: | Stewart, A.G, Lee, L.K, Donohoe, M, Chaston, J.J, Stock, D. | Deposit date: | 2011-12-19 | Release date: | 2012-02-22 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The dynamic stator stalk of rotary ATPases Nat Commun, 3, 2012
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4W2R
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![BU of 4w2r by Molmil](/molmil-images/mine/4w2r) | Structure of Hs/AcPRC2 in complex with 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one | Descriptor: | 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ... | Authors: | Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E. | Deposit date: | 2017-09-25 | Release date: | 2017-12-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497). J. Med. Chem., 61, 2018
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5WHR
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![BU of 5whr by Molmil](/molmil-images/mine/5whr) | Discovery of a novel and selective IDO-1 inhibitor PF-06840003 and its characterization as a potential clinical candidate. | Descriptor: | (3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Greasley, S.E, Kaiser, S.E, Feng, J.L, Stewart, A. | Deposit date: | 2017-07-18 | Release date: | 2017-12-27 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Discovery of a Novel and Selective Indoleamine 2,3-Dioxygenase (IDO-1) Inhibitor 3-(5-Fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione (EOS200271/PF-06840003) and Its Characterization as a Potential Clinical Candidate. J. Med. Chem., 60, 2017
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6XHN
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![BU of 6xhn by Molmil](/molmil-images/mine/6xhn) | Covalent complex of SARS-CoV main protease with 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide | Descriptor: | (3S)-3-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl 2-cyanobenzoate, 1,2-ETHANEDIOL, 3C-like proteinase | Authors: | Gajiwala, K.S, Ferre, R.A, Ryan, K, Stewart, A.E. | Deposit date: | 2020-06-19 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.377 Å) | Cite: | Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19. J.Med.Chem., 63, 2020
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6XHM
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![BU of 6xhm by Molmil](/molmil-images/mine/6xhm) | Covalent complex of SARS-CoV-2 main protease with N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | Authors: | Gajiwala, K.S, Ferre, R.A, Ryan, K, Stewart, A.E. | Deposit date: | 2020-06-19 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.406 Å) | Cite: | Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19. J.Med.Chem., 63, 2020
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4UXL
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![BU of 4uxl by Molmil](/molmil-images/mine/4uxl) | Structure of Human ROS1 Kinase Domain in Complex with PF-06463922 | Descriptor: | (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | Deposit date: | 2014-08-25 | Release date: | 2015-03-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Pf-06463922 is a Potent and Selective Next-Generation Ros1/Alk Inhibitor Capable of Blocking Crizotinib-Resistant Ros1 Mutations. Proc.Natl.Acad.Sci.USA, 112, 2015
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7RUQ
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![BU of 7ruq by Molmil](/molmil-images/mine/7ruq) | Structure of the human GIGYF1-TNRC6C complex | Descriptor: | GRB10-interacting GYF protein 1, Trinucleotide repeat-containing gene 6C protein | Authors: | Sobti, M, Mead, B.J, Igreja, C, Stewart, A.G, Christie, M. | Deposit date: | 2021-08-18 | Release date: | 2022-08-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Molecular basis for GIGYF-TNRC6 complex assembly. Rna, 29, 2023
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7RUP
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![BU of 7rup by Molmil](/molmil-images/mine/7rup) | Structure of the human GIGYF2-TNRC6A complex | Descriptor: | GRB10-interacting GYF protein 2, SULFATE ION, Trinucleotide repeat-containing gene 6A protein | Authors: | Sobti, M, Mead, B.J, Igreja, C, Stewart, A.G, Christie, M. | Deposit date: | 2021-08-18 | Release date: | 2022-08-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Molecular basis for GIGYF-TNRC6 complex assembly. Rna, 29, 2023
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6XHJ
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![BU of 6xhj by Molmil](/molmil-images/mine/6xhj) | Cryo-EM structure of octadecameric TF55 (beta-only) complex from S. solfataricus bound to ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Thermosome subunit beta | Authors: | Zeng, Y.C, Sobti, M, Stewart, A.G. | Deposit date: | 2020-06-18 | Release date: | 2021-03-17 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.62 Å) | Cite: | Structural analysis of the Sulfolobus solfataricus TF55beta chaperonin by cryo-electron microscopy Acta Crystallogr.,Sect.F, 77, 2021
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6XHI
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![BU of 6xhi by Molmil](/molmil-images/mine/6xhi) | |