2A4G
 
 | | Hepatitis C Protease NS3-4A serine protease with Ketoamide Inhibitor SCH225724 Bound | | Descriptor: | ({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER, NS3 protease/helicase, NS4a peptide, ... | | Authors: | Arasappan, A, Njoroge, F.G, Chan, T.Y, Bennett, F, Bogen, S.L, Chen, K, Gu, H, Hong, L, Jao, E, Liu, Y.T, Lovey, R.G, Parekh, T, Pike, R.E, Pinto, P, Santhanam, B, Venkatraman, S, Vaccaro, H, Wang, H, Yang, X, Zhu, Z, Mckittrick, B, Saksena, A.K, Girijavallabhan, V, Pichardo, J, Butkiewicz, N, Ingram, R, Malcolm, B, Prongay, A.J, Yao, N, Marten, B, Madison, V, Kemp, S, Levy, O, Lim-Wilby, M, Tamura, S, Ganguly, A.K. | | Deposit date: | 2005-06-28 | | Release date: | 2006-07-04 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Hepatitis C virus NS3-4a serine protease inhibitors. SAR of P2' moiety with improved potency.
Bioorg.Med.Chem.Lett., 15, 2005
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6VUR
 | | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT366 | | Descriptor: | 2-({[(3S)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2020-02-16 | | Release date: | 2020-06-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
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6VV3
 | | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT1358 | | Descriptor: | 2-[(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(piperidin-1-yl)ethyl]acetamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2020-02-16 | | Release date: | 2020-06-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
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2ACL
 | | Liver X-Receptor alpha Ligand Binding Domain with SB313987 | | Descriptor: | 1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-PHENYLPYRROLE-2,5-DIONE, Oxysterols receptor LXR-alpha, RETINOIC ACID, ... | | Authors: | Jaye, M.C, Krawiec, J.A, Campobasso, N, Smallwood, A, Qiu, C, Lu, Q, Kerrigan, J.J. | | Deposit date: | 2005-07-19 | | Release date: | 2005-09-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of substituted maleimides as liver x receptor agonists and determination of a ligand-bound crystal structure.
J.Med.Chem., 48, 2005
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2A5Z
 | | Crystal Structure of Protein of Unknown Function SO2946 from Shewanella oneidensis MR-1 | | Descriptor: | MAGNESIUM ION, hypothetical protein SO2946 | | Authors: | Nocek, B, Bigelow, L, Abdullah, J, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2005-07-01 | | Release date: | 2005-08-16 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.015 Å) | | Cite: | Structure of SO2946 orphan from Shewanella oneidensis shows "jelly-roll" fold with carbohydrate-binding module.
J.STRUCT.FUNCT.GENOM., 9, 2008
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2A6D
 | | Crystal structure analysis of the anti-arsonate germline antibody 36-65 in complex with a phage display derived dodecapeptide RLLIADPPSPRE | | Descriptor: | Dodecapeptide, RLLIADPPSPRE, Germline antibody 36-65 Fab Heavy chain, ... | | Authors: | Sethi, D.K, Agarwal, A, Manivel, V, Rao, K.V, Salunke, D.M. | | Deposit date: | 2005-07-02 | | Release date: | 2006-06-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Differential epitope positioning within the germline antibody paratope enhances promiscuity in the primary immune response.
Immunity, 24, 2006
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2AE8
 | | Crystal Structure of Imidazoleglycerol-phosphate Dehydratase from Staphylococcus aureus subsp. aureus N315 | | Descriptor: | Imidazoleglycerol-phosphate dehydratase, MAGNESIUM ION | | Authors: | Kim, Y, Quartey, P, Holzle, D, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2005-07-21 | | Release date: | 2005-09-06 | | Last modified: | 2015-05-20 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Crystal Structure of Imidazoleglycerol-phosphate Dehydratase from Staphylococcus aureus subsp. aureus N315
To be Published
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2AEP
 | | An epidemiologically significant epitope of a 1998 influenza virus neuraminidase forms a highly hydrated interface in the NA-antibody complex. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FAB heavy chain, ... | | Authors: | Venkatramani, L, Bochkareva, E, Lee, J.T, Gulati, U, Laver, W.G, Bochkarev, A, Air, G.M. | | Deposit date: | 2005-07-23 | | Release date: | 2005-12-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | An Epidemiologically Significant Epitope of a 1998 Human Influenza Virus Neuraminidase Forms a Highly Hydrated Interface in the NA-Antibody Complex
J.Mol.Biol., 356, 2006
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6VXR
 | | Structure of Maternal embryonic leucine zipper kinase bound to LDSM276 | | Descriptor: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, 1,2-ETHANEDIOL, Maternal embryonic leucine zipper kinase | | Authors: | Counago, R.M, Takarada, J.E, dos Reis, C.V, Gama, F.H, Azevedo, H, Mascarello, A, Guimaraes, C.R, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-02-24 | | Release date: | 2020-07-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of Maternal embryonic leucine zipper kinase bound to LDSM276
To Be Published
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6W0D
 | | Open-gate KcsA soaked in 5 mM BaCl2 | | Descriptor: | BARIUM ION, Fab Heavy Chain, Fab Light Chain, ... | | Authors: | Rohaim, A, Gong, L, Li, J. | | Deposit date: | 2020-02-29 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.639 Å) | | Cite: | Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020
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6W0J
 | | Closed-gate KcsA incubated in BaCl2/NaCl | | Descriptor: | BARIUM ION, Fab Heavy Chain, Fab Light Chain, ... | | Authors: | Rohaim, A, Gong, L, Li, J. | | Deposit date: | 2020-02-29 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020
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1ZY0
 | | X-ray structure of peptide deformylase from Arabidopsis thaliana (AtPDF1A); crystals grown in PEG-6000 | | Descriptor: | Peptide deformylase, mitochondrial, ZINC ION | | Authors: | Fieulaine, S, Juillan-Binard, C, Serero, A, Dardel, F, Giglione, C, Meinnel, T, Ferrer, J.-L. | | Deposit date: | 2005-06-09 | | Release date: | 2005-09-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The crystal structure of mitochondrial (Type 1A) peptide deformylase provides clear guidelines for the design of inhibitors specific for the bacterial forms
J.Biol.Chem., 280, 2005
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6W33
 | | Crystal Structure of Class A Beta-lactamase from Bacillus cereus in the Complex with the Beta-lactamase Inhibitor Clavulanate | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase, ... | | Authors: | Kim, Y, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-03-08 | | Release date: | 2020-03-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure of Class A Beta-lactamase from
Bacillus cereus in the Complex with the Beta-lactamase Inhibitor Clavulanate
To Be Published
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1ZYD
 | | Crystal Structure of eIF2alpha Protein Kinase GCN2: Wild-Type Complexed with ATP. | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase GCN2 | | Authors: | Padyana, A.K, Qiu, H, Roll-Mecak, A, Hinnebusch, A.G, Burley, S.K. | | Deposit date: | 2005-06-09 | | Release date: | 2005-06-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural Basis for Autoinhibition and Mutational Activation of Eukaryotic Initiation Factor 2{alpha} Protein Kinase GCN2
J.Biol.Chem., 280, 2005
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6W3S
 | | Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with L-leucine | | Descriptor: | GLYCEROL, LEUCINE, Methyl-accepting chemotaxis protein, ... | | Authors: | Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A. | | Deposit date: | 2020-03-09 | | Release date: | 2020-05-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3.
Biomolecules, 10, 2020
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6W8Q
 | | Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments | | Descriptor: | 2-oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid, Nonstructural polyprotein | | Authors: | Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M. | | Deposit date: | 2020-03-21 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design.
Plos One, 16, 2021
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6W3V
 | | Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with L-phenylalanine | | Descriptor: | CHLORIDE ION, Methyl-accepting chemotaxis protein, PHENYLALANINE, ... | | Authors: | Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A. | | Deposit date: | 2020-03-09 | | Release date: | 2020-05-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3.
Biomolecules, 10, 2020
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2KOE
 | | Human cannabinoid receptor 1 - helix 7/8 peptide | | Descriptor: | human cannabinoid receptor 1 - helix 7/8 peptide | | Authors: | Deshmukh, L, Vinogradova, O, Makriyannis, A, Tiburu, E, Tyukhtenko, S, Janero, D. | | Deposit date: | 2009-09-18 | | Release date: | 2009-10-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR solution structure of human cannabinoid receptor-1 helix 7/8 peptide: candidate electrostatic interactions and microdomain formation.
Biochem.Biophys.Res.Commun., 390, 2009
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2KLY
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2K8F
 | | Structural Basis for the Regulation of p53 Function by p300 | | Descriptor: | Cellular tumor antigen p53, Histone acetyltransferase p300 | | Authors: | Bai, Y, Feng, H, Jenkins, L.M, Durell, S.R, Wiodawer, A, Appella, E. | | Deposit date: | 2008-09-08 | | Release date: | 2009-03-03 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural Basis for p300 Taz2-p53 TAD1 Binding and Modulation by Phosphorylation.
Structure, 17, 2009
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2KNT
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2KIQ
 | | Solution structure of the FF Domain 2 of human transcription elongation factor CA150 | | Descriptor: | Transcription elongation regulator 1 | | Authors: | Zeng, J, Boyles, J, Tripathy, C, Yan, A, Zhou, P, Donald, B.R. | | Deposit date: | 2009-05-07 | | Release date: | 2009-07-28 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | High-resolution protein structure determination starting with a global fold calculated from exact solutions to the RDC equations.
J.Biomol.Nmr, 45, 2009
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2KUO
 | | Structure and identification of ADP-ribose recognition motifs of APLF and role in the DNA damage response | | Descriptor: | Aprataxin and PNK-like factor, ZINC ION | | Authors: | Li, G.Y, McCulloch, R.D, Fenton, A, Cheung, M, Meng, L, Ikura, M, Koch, C.A. | | Deposit date: | 2010-02-23 | | Release date: | 2010-05-05 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure and identification of ADP-ribose recognition motifs of aprataxin PNK-like factor (APLF) required for the interaction with sites of DNA damage response
To be Published
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2KW5
 | | Solution NMR Structure of the Slr1183 protein from Synechocystis sp. PCC 6803, Northeast Structural Genomics Consortium Target SgR145 | | Descriptor: | Slr1183 protein | | Authors: | Rossi, P, Forouhar, F, Lee, H, Lange, O, Mao, B, Lemak, A, Maglaqui, M, Belote, R, Ciccosanti, C, Foote, E, Sahdev, S, Acton, T, Xiao, R, Everett, J, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-03-31 | | Release date: | 2010-04-21 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Determination of solution structures of proteins up to 40 kDa using CS-Rosetta with sparse NMR data from deuterated samples.
Proc.Natl.Acad.Sci.USA, 109, 2012
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8PHE
 | | ACAD9-WT in complex with ECSIT-CTER | | Descriptor: | Complex I assembly factor ACAD9, mitochondrial, Evolutionarily conserved signaling intermediate in Toll pathway | | Authors: | McGregor, L, Acajjaoui, S, Desfosses, A, Saidi, M, Bacia-Verloop, M, Schwarz, J.J, Juyoux, P, Von Velsen, J, Bowler, M.W, McCarthy, A, Kandiah, E, Gutsche, I, Soler-Lopez, M. | | Deposit date: | 2023-06-19 | | Release date: | 2024-01-24 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | The assembly of the Mitochondrial Complex I Assembly complex uncovers a redox pathway coordination.
Nat Commun, 14, 2023
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