5IG6
 
 | | Ultra-high resolution crystal structure of second bromodomain of BRD2 in complex with inhibitor 6B3 | | Descriptor: | 2'-[(6-oxo-5,6-dihydrophenanthridin-3-yl)carbamoyl][1,1'-biphenyl]-2-carboxylic acid, Bromodomain-containing protein 2, CHLORIDE ION, ... | | Authors: | Tripathi, S.K, Padmanabhan, B. | | Deposit date: | 2016-02-27 | | Release date: | 2016-06-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (0.91 Å) | | Cite: | A Novel Phenanthridionone Based Scaffold As a Potential Inhibitor of the BRD2 Bromodomain: Crystal Structure of the Complex
Plos One, 11, 2016
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4WMZ
 | | S. cerevisiae CYP51 complexed with fluconazole in the active site | | Descriptor: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sagatova, A, Keniya, M.V, Wilson, R, Wilbanks, S.M, Monk, B.C, Tyndall, J.D.A. | | Deposit date: | 2014-10-09 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural Insights into Binding of the Antifungal Drug Fluconazole to Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase.
Antimicrob.Agents Chemother., 59, 2015
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8F7G
 | | The condensation domain of surfactin A synthetase C in space group P212121 | | Descriptor: | GLYCEROL, Surfactin synthetase | | Authors: | Frota, N.F, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, T.M. | | Deposit date: | 2022-11-18 | | Release date: | 2023-11-22 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | High-throughput reprogramming of an NRPS condensation domain.
Nat.Chem.Biol., 20, 2024
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8F7F
 | | The condensation domain of surfactin A synthetase C in space group P43212 | | Descriptor: | GLYCEROL, Surfactin synthetase | | Authors: | Frota, N, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, T.M. | | Deposit date: | 2022-11-18 | | Release date: | 2023-11-22 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | High-throughput reprogramming of an NRPS condensation domain.
Nat.Chem.Biol., 20, 2024
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1EUQ
 | | CRYSTAL STRUCTURE OF GLUTAMINYL-TRNA SYNTHETASE COMPLEXED WITH A TRNA-GLN MUTANT AND AN ACTIVE-SITE INHIBITOR | | Descriptor: | 5'-O-[N-(L-GLUTAMINYL)-SULFAMOYL]ADENOSINE, GLUTAMINYL TRNA, GLUTAMINYL-TRNA SYNTHETASE | | Authors: | Sherlin, L.D, Bullock, T.L, Newberry, K.J, Lipman, R.S.A, Hou, Y.-M, Beijer, B, Sproat, B.S, Perona, J.J. | | Deposit date: | 2000-04-17 | | Release date: | 2000-06-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Influence of transfer RNA tertiary structure on aminoacylation efficiency by glutaminyl and cysteinyl-tRNA synthetases.
J.Mol.Biol., 299, 2000
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5KPQ
 | | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor | | Descriptor: | 1-[[4-fluoranyl-3-[(3R)-3-methyl-4-propyl-piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1 | | Authors: | Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L. | | Deposit date: | 2016-07-05 | | Release date: | 2016-12-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
To Be Published
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1B7B
 | | Carbamate kinase from Enterococcus faecalis | | Descriptor: | CARBAMATE KINASE, SULFATE ION | | Authors: | Marina, A, Alzari, P.M, Bravo, J, Uriarte, M, Barcelona, B, Fita, I, Rubio, V. | | Deposit date: | 1999-01-20 | | Release date: | 2000-01-26 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Carbamate kinase: New structural machinery for making carbamoyl phosphate, the common precursor of pyrimidines and arginine.
Protein Sci., 8, 1999
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7T3A
 | | GATOR1-RAG-RAGULATOR - Inhibitory Complex | | Descriptor: | GATOR complex protein DEPDC5, GATOR complex protein NPRL2, GATOR complex protein NPRL3, ... | | Authors: | Egri, S.B, Shen, K. | | Deposit date: | 2021-12-07 | | Release date: | 2022-04-06 | | Last modified: | 2022-06-01 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Cryo-EM structures of the human GATOR1-Rag-Ragulator complex reveal a spatial-constraint regulated GAP mechanism.
Mol.Cell, 82, 2022
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7AT8
 | | Histone H3 recognition by nucleosome-bound PRC2 subunit EZH2. | | Descriptor: | Histone H2A, Histone H2B 1.1, Histone H3.2, ... | | Authors: | Finogenova, K, Benda, C, Schaefer, I.B, Poepsel, S, Strauss, M, Mueller, J. | | Deposit date: | 2020-10-29 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Structural basis for PRC2 decoding of active histone methylation marks H3K36me2/3.
Elife, 9, 2020
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7AO1
 | | Crystal structure of CotB2 variant W288F in complex with alendronate | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE, CHLORIDE ION, ... | | Authors: | Dimos, N, Driller, R, Loll, B. | | Deposit date: | 2020-10-13 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Impression of a Nonexisting Catalytic Effect: The Role of CotB2 in Guiding the Complex Biosynthesis of Cyclooctat-9-en-7-ol.
J.Am.Chem.Soc., 142, 2020
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7TCH
 | | BceAB E169Q variant ATP-bound conformation | | Descriptor: | 4-amino-4-deoxy-1-O-[(S)-hydroxy{[(2E,6E,10Z,14Z,18Z,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]oxy}phosphoryl]-alpha-L-arabinopyranose, ADENOSINE-5'-TRIPHOSPHATE, Bacitracin export ATP-binding protein BceA, ... | | Authors: | George, N.L, Orlando, B.J. | | Deposit date: | 2021-12-23 | | Release date: | 2022-04-06 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Conformational snapshots of the bacitracin sensing and resistance transporter BceAB.
Proc.Natl.Acad.Sci.USA, 119, 2022
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4WRQ
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7SNA
 | | Crystallization of feline coronavirus Mpro with GC376 reveals mechanism of inhibition | | Descriptor: | 3C-like proteinase, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | | Authors: | Khan, M.B, Lu, J, Young, H.S, Lemieux, M.J. | | Deposit date: | 2021-10-27 | | Release date: | 2022-04-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystallization of Feline Coronavirus M pro With GC376 Reveals Mechanism of Inhibition.
Front Chem, 10, 2022
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7TCG
 | | BceAB nucleotide-free conformation | | Descriptor: | 4-amino-4-deoxy-1-O-[(S)-hydroxy{[(2E,6E,10Z,14Z,18Z,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]oxy}phosphoryl]-alpha-L-arabinopyranose, Bacitracin export ATP-binding protein BceA, Bacitracin export permease protein BceB | | Authors: | George, N.L, Orlando, B.J. | | Deposit date: | 2021-12-23 | | Release date: | 2022-04-06 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Conformational snapshots of the bacitracin sensing and resistance transporter BceAB.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7T3B
 | | GATOR1-RAG-RAGULATOR - GAP Complex | | Descriptor: | ALUMINUM FLUORIDE, GATOR complex protein DEPDC5, GATOR complex protein NPRL2, ... | | Authors: | Egri, S.B, Shen, K. | | Deposit date: | 2021-12-07 | | Release date: | 2022-04-06 | | Last modified: | 2022-06-01 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Cryo-EM structures of the human GATOR1-Rag-Ragulator complex reveal a spatial-constraint regulated GAP mechanism.
Mol.Cell, 82, 2022
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1BAZ
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8EXW
 | | Drosophila melanogaster indirect flight muscle myosin II (subfragment-1) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Isoform K of Myosin heavy chain, muscle, ... | | Authors: | Caldwell, J.T, Huxford, T, Bernstein, S.I, Stec, B. | | Deposit date: | 2022-10-25 | | Release date: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Drosophila melanogaster indirect flight muscle myosin II (subfragment-1)
To Be Published
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5IM5
 | | Crystal structure of designed two-component self-assembling icosahedral cage I53-40 | | Descriptor: | Designed Keto-hydroxyglutarate-aldolase/keto-deoxy-phosphogluconate aldolase, Designed Riboflavin synthase | | Authors: | Liu, Y.A, Cascio, D, Sawaya, M.R, Bale, J.B, Collazo, M.J, Thomas, C, Sheffler, W, King, N.P, Baker, D, Yeates, T.O. | | Deposit date: | 2016-03-05 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.699 Å) | | Cite: | Accurate design of megadalton-scale two-component icosahedral protein complexes.
Science, 353, 2016
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7KJ2
 | | SARS-CoV-2 Spike Glycoprotein with one ACE2 Bound | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Zhang, J, Xiao, T.S, Cai, Y.F, Chen, B. | | Deposit date: | 2020-10-25 | | Release date: | 2020-11-11 | | Last modified: | 2021-02-24 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | A trimeric human angiotensin-converting enzyme 2 as an anti-SARS-CoV-2 agent.
Nat.Struct.Mol.Biol., 28, 2021
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7T3C
 | | GATOR1-RAG-RAGULATOR - Dual Complex | | Descriptor: | ALUMINUM FLUORIDE, GATOR complex protein DEPDC5, GATOR complex protein NPRL2, ... | | Authors: | Egri, S.B, Shen, K. | | Deposit date: | 2021-12-07 | | Release date: | 2022-04-06 | | Last modified: | 2022-06-01 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Cryo-EM structures of the human GATOR1-Rag-Ragulator complex reveal a spatial-constraint regulated GAP mechanism.
Mol.Cell, 82, 2022
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6UX2
 | | Crystal structure of ZIKV RdRp in complex with STAT2 | | Descriptor: | Nonstructural Protein 5, SULFATE ION, Signal transducer and activator of transcription 2, ... | | Authors: | Wang, B, Song, J. | | Deposit date: | 2019-11-06 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Structural basis for STAT2 suppression by flavivirus NS5.
Nat.Struct.Mol.Biol., 27, 2020
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1JZ6
 | | E. COLI (lacZ) BETA-GALACTOSIDASE IN COMPLEX WITH GALACTO-TETRAZOLE | | Descriptor: | (5R, 6S, 7S, ... | | Authors: | Juers, D.H, Heightman, T.D, Vasella, A, Matthews, B.W. | | Deposit date: | 2001-09-13 | | Release date: | 2001-12-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Structural View of the Action of Escherichia Coli (Lacz) Beta-Galactosidase
Biochemistry, 40, 2001
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5EI1
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the imidazopyridine derivative 2-(4-hydroxyphenyl)-3-iodanyl-imidazo[1,2-a]pyridin-6-ol | | Descriptor: | 2-(4-hydroxyphenyl)-3-iodanyl-imidazo[1,2-a]pyridin-6-ol, Estrogen receptor, NCOA2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2015-10-29 | | Release date: | 2016-05-04 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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5EIM
 | | YTH domain-containing protein mmi1 and RNA complex | | Descriptor: | RNA (5'-R(*AP*UP*UP*AP*AP*AP*CP*A)-3'), YTH domain-containing protein mmi1 | | Authors: | Wu, B.X, Xu, J.H, Su, S.C, Ma, J.B. | | Deposit date: | 2015-10-30 | | Release date: | 2016-01-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structural insights into the specific recognition of DSR by the YTH domain containing protein Mmi1
Biochem. Biophys. Res. Commun., 491, 2017
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1AUZ
 | | SOLUTION STRUCTURE OF SPOIIAA, A PHOSPHORYLATABLE COMPONENT OF THE SYSTEM THAT REGULATES TRANSCRIPTION FACTOR SIGMA-F OF BACILLUS SUBTILIS, NMR, 24 STRUCTURES | | Descriptor: | SPOIIAA | | Authors: | Kovacs, H, Comfort, D, Lord, M, Campbell, I.D, Yudkin, M.D. | | Deposit date: | 1997-09-08 | | Release date: | 1998-07-01 | | Last modified: | 2024-04-10 | | Method: | SOLUTION NMR | | Cite: | Solution structure of SpoIIAA, a phosphorylatable component of the system that regulates transcription factor sigmaF of Bacillus subtilis.
Proc.Natl.Acad.Sci.USA, 95, 1998
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