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5ZDL
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BU of 5zdl by Molmil
Crystal Structure Analysis of TtQRS in co-crystallised with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Glutamine--tRNA ligase
Authors:Mutharasappan, N, Jain, V, Sharma, A, Manickam, Y, Jeyaraman, J.
Deposit date:2018-02-23
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and functional analysis of Glutaminyl-tRNA synthetase (TtGlnRS) from Thermus thermophilus HB8 and its complexes
Int. J. Biol. Macromol., 120, 2018
6A88
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BU of 6a88 by Molmil
Crystal Structure of T. gondii prolyl tRNA synthetase with Febrifugine and ATP Analog
Descriptor: 3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Kumari, S, Mishra, S, Yogavel, M, Sharma, A.
Deposit date:2018-07-06
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.596 Å)
Cite:Conformational heterogeneity in apo and drug-bound structures of Toxoplasma gondii prolyl-tRNA synthetase.
Acta Crystallogr.,Sect.F, 75, 2019
6AA0
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BU of 6aa0 by Molmil
Crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in Apo Form
Descriptor: GLYCEROL, Prolyl-tRNA synthetase (ProRS)
Authors:Mishra, S, Kumari, S, Sharma, A, Yogavel, M.
Deposit date:2018-07-16
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Conformational heterogeneity in apo and drug-bound structures of Toxoplasma gondii prolyl-tRNA synthetase.
Acta Crystallogr.,Sect.F, 75, 2019
5NCK
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BU of 5nck by Molmil
The Crystal Structure of N-acetylmannosamine kinase in Fusobacterium nucleatum
Descriptor: N-acetylmannosamine kinase
Authors:Caing-Carlsson, R, Sharma, A, Friemann, R, Ramaswamy, S.
Deposit date:2017-03-06
Release date:2017-06-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Crystal structure of N-acetylmannosamine kinase from Fusobacterium nucleatum.
Acta Crystallogr F Struct Biol Commun, 73, 2017
5M7L
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BU of 5m7l by Molmil
Blastochloris viridis photosynthetic reaction center synchrotron structure
Descriptor: (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL A, ...
Authors:Sharma, A.S, Johansson, L, Dunevall, E, Wahlgren, W.Y, Neutze, R, Katona, G.
Deposit date:2016-10-28
Release date:2017-02-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Asymmetry in serial femtosecond crystallography data.
Acta Crystallogr A Found Adv, 73, 2017
5M7J
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BU of 5m7j by Molmil
Blastochloris viridis photosynthetic reaction center structure using best crystal approach
Descriptor: (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL A, ...
Authors:Sharma, A.S, Johansson, L, Dunevall, E, Wahlgren, W.Y, Neutze, R, Katona, G.
Deposit date:2016-10-28
Release date:2017-02-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Asymmetry in serial femtosecond crystallography data.
Acta Crystallogr A Found Adv, 73, 2017
5M7K
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BU of 5m7k by Molmil
Blastochloris viridis photosynthetic reaction center - RC_vir_xfel
Descriptor: (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL A, ...
Authors:Sharma, A.S, Johansson, L, Dunevall, E, Wahlgren, W.Y, Neutze, R, Katona, G.
Deposit date:2016-10-28
Release date:2017-02-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Asymmetry in serial femtosecond crystallography data.
Acta Crystallogr A Found Adv, 73, 2017
4O0J
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BU of 4o0j by Molmil
HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid
Descriptor: (2S)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid, Integrase, SULFATE ION
Authors:Feng, L, Kvaratskhelia, M.
Deposit date:2013-12-13
Release date:2014-07-02
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A New Class of Multimerization Selective Inhibitors of HIV-1 Integrase.
Plos Pathog., 10, 2014
4O5B
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BU of 4o5b by Molmil
HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid
Descriptor: (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid, Integrase, SULFATE ION
Authors:Feng, L, Kvaratskhelia, M.
Deposit date:2013-12-19
Release date:2014-07-02
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:A New Class of Multimerization Selective Inhibitors of HIV-1 Integrase.
Plos Pathog., 10, 2014
4O55
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BU of 4o55 by Molmil
HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid
Descriptor: (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid, Integrase, SULFATE ION
Authors:Feng, L, Kvaratskhelia, M.
Deposit date:2013-12-19
Release date:2014-07-02
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:A New Class of Multimerization Selective Inhibitors of HIV-1 Integrase.
Plos Pathog., 10, 2014
6S8L
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BU of 6s8l by Molmil
Structure, Thermodynamics, and Kinetics of Plinabulin Binding to two Tubulin Isotypes
Descriptor: (3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione, Designed ankyrin repeat protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Sharma, A, Olieric, N, Steinmetz, M.
Deposit date:2019-07-10
Release date:2019-11-27
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Structure, Thermodynamics, and Kinetics of Plinabulin Binding to Two Tubulin Isotypes
Chem, 2019
8GU1
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BU of 8gu1 by Molmil
Crystal Structure of putative amino acid binding periplasmic ABC transporter protein from Candidatus Liberibacter asiaticus in complex with Pimozide
Descriptor: 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1~{H}-benzimidazol-2-one, Putative amino acid-binding periplasmic ABC transporter protein
Authors:Lonare, S, Sharma, M, Sharma, A.K.
Deposit date:2022-09-09
Release date:2023-07-26
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Identification and evaluation of potential inhibitor molecules against TcyA from Candidatus Liberibacter asiaticus.
J.Struct.Biol., 215, 2023
8GTU
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BU of 8gtu by Molmil
Crystal Structure of putative amino acid binding periplasmic ABC transporter protein from Candidatus Liberibacter asiaticus in complex with Clidinium
Descriptor: Putative amino acid-binding periplasmic ABC transporter protein, [(3~{S})-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate
Authors:Lonare, S, Sharma, M, Sharma, A.K.
Deposit date:2022-09-08
Release date:2023-07-26
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Identification and evaluation of potential inhibitor molecules against TcyA from Candidatus Liberibacter asiaticus.
J.Struct.Biol., 215, 2023
7BY6
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BU of 7by6 by Molmil
Plasmodium vivax cytoplasmic Phenylalanyl-tRNA synthetase in complex with BRD1389
Descriptor: (3S,4R,8R,9R,10S)-N-(4-cyclopropyloxyphenyl)-10-(methoxymethyl)-3,4-bis(oxidanyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide, MAGNESIUM ION, Phenylalanyl-tRNA synthetase beta chain, ...
Authors:Malhotra, N, Manmohan, S, Harlos, K, Melillo, B, Schreiber, S.L, Manickam, Y, Sharma, S.
Deposit date:2020-04-21
Release date:2020-11-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.997 Å)
Cite:Structural basis of malaria parasite phenylalanine tRNA-synthetase inhibition by bicyclic azetidines.
Nat Commun, 12, 2021
7U0P
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BU of 7u0p by Molmil
SARS-Cov2 S protein structure in complex with neutralizing monoclonal antibody 002-S21F2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Patel, A, Ortlund, E.
Deposit date:2022-02-18
Release date:2022-08-10
Last modified:2023-02-22
Method:ELECTRON MICROSCOPY (3.76 Å)
Cite:Structural insights for neutralization of Omicron variants BA.1, BA.2, BA.4, and BA.5 by a broadly neutralizing SARS-CoV-2 antibody.
Sci Adv, 8, 2022
7U0X
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BU of 7u0x by Molmil
SARS-Cov2 S protein structure in complex with neutralizing monoclonal antibody 002-13
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Patel, A, Ortlund, E.
Deposit date:2022-02-19
Release date:2023-03-01
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (3.82 Å)
Cite:Molecular basis of SARS-CoV-2 Omicron variant evasion from shared neutralizing antibody response.
Structure, 31, 2023
7U0Q
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BU of 7u0q by Molmil
SARS-Cov2 S protein structure in complex with neutralizing monoclonal antibody 002-02
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Patel, A, Ortlund, E.
Deposit date:2022-02-18
Release date:2023-03-01
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (3.86 Å)
Cite:Molecular basis of SARS-CoV-2 Omicron variant evasion from shared neutralizing antibody response.
Structure, 31, 2023
5H7X
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BU of 5h7x by Molmil
Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with 2-hydroxy-1,2,3-propane tricarboxylate at 1.76 A resolution
Descriptor: CITRIC ACID, Phosphopantetheine adenylyltransferase
Authors:Singh, P.K, Gupta, A, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2016-11-21
Release date:2016-12-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural and binding studies of phosphopantetheine adenylyl transferase from Acinetobacter baumannii.
Biochim Biophys Acta Proteins Proteom, 1867, 2019
7UPL
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BU of 7upl by Molmil
SARS-Cov2 Omicron varient S protein structure in complex with neutralizing monoclonal antibody 002-S21F2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Patel, A, Ortlund, E.
Deposit date:2022-04-15
Release date:2022-08-10
Last modified:2023-02-22
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural insights for neutralization of Omicron variants BA.1, BA.2, BA.4, and BA.5 by a broadly neutralizing SARS-CoV-2 antibody.
Sci Adv, 8, 2022
7UOW
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BU of 7uow by Molmil
SARS-Cov2 S protein structure in complex with neutralizing monoclonal antibody 034_32
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Monoclonal antibody 034_32 heavy chain, ...
Authors:Patel, A, Ortlund, E.
Deposit date:2022-04-14
Release date:2023-04-19
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Molecular basis of SARS-CoV-2 Omicron variant evasion from shared neutralizing antibody response.
Structure, 31, 2023
5LBV
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BU of 5lbv by Molmil
Structural basis of zika and dengue virus potent antibody cross-neutralization
Descriptor: SODIUM ION, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, envelope protein E
Authors:Barba-Spaeth, G.
Deposit date:2016-06-17
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of potent Zika-dengue virus antibody cross-neutralization.
Nature, 536, 2016
6HCU
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BU of 6hcu by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum bound to a difluoro cyclohexyl chromone ligand
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, HISTIDINE, ...
Authors:Tamjar, J, Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H.
Deposit date:2018-08-16
Release date:2019-04-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6HCW
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BU of 6hcw by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Cryptosporidium parvum complexed with L-lysine and a difluoro cyclohexyl chromone ligand
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LYSINE, Lysine--tRNA ligase, ...
Authors:Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H.
Deposit date:2018-08-16
Release date:2019-04-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc.Natl.Acad.Sci.USA, 116, 2019
5LBS
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BU of 5lbs by Molmil
structural basis of Zika and Dengue virus potent antibody cross-neutralization
Descriptor: 1,2-ETHANEDIOL, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE1 C8, SULFATE ION, ...
Authors:Vaney, M.C, Rouvinski, A, Barba-Spaeth, G, Rey, F.A.
Deposit date:2016-06-17
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structural basis of potent Zika-dengue virus antibody cross-neutralization.
Nature, 536, 2016
6HCV
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BU of 6hcv by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with a chromone ligand
Descriptor: 6-fluoranyl-~{N}-[(1-oxidanylcyclohexyl)methyl]-4-oxidanylidene-chromene-2-carboxamide, Lysine--tRNA ligase
Authors:Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H.
Deposit date:2018-08-16
Release date:2019-04-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc.Natl.Acad.Sci.USA, 116, 2019

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