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8FP0
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BU of 8fp0 by Molmil
Ternary complex of CDK2 with small molecule ligands TW8672 and Roscovitine
Descriptor: 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, Cyclin-dependent kinase 2, ...
Authors:Schonbrunn, E, Sun, L.
Deposit date:2023-01-03
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
6XQA
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BU of 6xqa by Molmil
Crystal Structure of HLA A*2402 in complex with TYQWVLKNL, an 9-mer epitope from Influenza B virus
Descriptor: Beta-2-microglobulin, MAGNESIUM ION, MHC class I antigen, ...
Authors:Nguyen, A.T, Szeto, C, Gras, S.
Deposit date:2020-07-09
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:CD8 + T cell landscape in Indigenous and non-Indigenous people restricted by influenza mortality-associated HLA-A*24:02 allomorph.
Nat Commun, 12, 2021
6M0T
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BU of 6m0t by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with L-lysine and Cladosporin derivative (CL-2)
Descriptor: (3R)-3-[(R)-[(2R,6S)-6-methyloxan-2-yl]-oxidanyl-methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one, LYSINE, Lysine--tRNA ligase
Authors:Babbar, P, Sharma, A, Manickam, Y.
Deposit date:2020-02-22
Release date:2021-04-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Design, Synthesis, and Structural Analysis of Cladosporin-Based Inhibitors of Malaria Parasites.
Acs Infect Dis., 7, 2021
5WMQ
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BU of 5wmq by Molmil
Crystal Structure of HLA-B8 in complex with ELR, an Influenza A virus peptide
Descriptor: Beta-2-microglobulin, ELR peptide from IAV, HLA class I histocompatibility antigen, ...
Authors:Gras, S, Rossjohn, J.
Deposit date:2017-07-31
Release date:2018-06-06
Last modified:2020-02-26
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Inability To Detect Cross-Reactive Memory T Cells Challenges the Frequency of Heterologous Immunity among Common Viruses.
J. Immunol., 200, 2018
4JKO
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BU of 4jko by Molmil
Crystal structure of a catalytic mutant of Axe2 (Axe2_S15A), an acetylxylan esterase from Geobacillus stearothermophilus
Descriptor: Acetyl xylan esterase, GLYCEROL, PHOSPHATE ION
Authors:Azulay, D, Lansky, S, Alalouf, O, Solomon, V, Alhassid, A, Belrahli, H, Govada, L, Chayan, N.E, Shoham, Y, Shoham, G.
Deposit date:2013-03-11
Release date:2014-02-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A unique octameric structure of Axe2, an intracellular acetyl-xylooligosaccharide esterase from Geobacillus stearothermophilus.
Acta Crystallogr.,Sect.D, 70, 2014
5WMN
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BU of 5wmn by Molmil
Crystal Structure of HLA-B7 in complex with SPI, an influenza peptide
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ...
Authors:Gras, S, Rossjohn, J.
Deposit date:2017-07-30
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Inability To Detect Cross-Reactive Memory T Cells Challenges the Frequency of Heterologous Immunity among Common Viruses.
J. Immunol., 200, 2018
5WMR
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BU of 5wmr by Molmil
Crystal Structure of HLA-B8 in complex with QIK, a CMV peptide
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-8 alpha chain, ...
Authors:Gras, S, Rossjohn, J.
Deposit date:2017-07-31
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Inability To Detect Cross-Reactive Memory T Cells Challenges the Frequency of Heterologous Immunity among Common Viruses.
J. Immunol., 200, 2018
5X7V
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BU of 5x7v by Molmil
Crystal structure of Nucleosome assembly protein S (PfNapS) from Plasmodium falciparum
Descriptor: Nucleosome assembly protein
Authors:Gill, J, Yogavel, M, Sharma, A.
Deposit date:2017-02-27
Release date:2017-03-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Structure, localization and histone binding properties of nuclear-associated nucleosome assembly protein from Plasmodium falciparum.
Malar. J., 9, 2010
3SKM
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BU of 3skm by Molmil
Crystal structure of the HLA-B8FLRGRAYVL, mutant G8V of the FLR peptide
Descriptor: Beta-2-microglobulin, Epstein-Barr nuclear antigen 3, HLA class I histocompatibility antigen, ...
Authors:Gras, S, Wilmann, P.G, Zhenjun, C, Hanim, H, Yu Chih, L, Kjer-Nielsen, L, Purcell, A.W, Burrows, S.R, Mccluskey, J, Rossjohn, J.
Deposit date:2011-06-22
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A structural basis for varied alpha-beta TCR usage against an immunodominant EBV antigen restricted to a HLA-B8 molecule.
J.Immunol., 188, 2012
3SJV
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BU of 3sjv by Molmil
Crystal structure of the RL42 TCR in complex with HLA-B8-FLR
Descriptor: Beta-2-microglobulin, Epstein-Barr nuclear antigen 3, HLA class I histocompatibility antigen, ...
Authors:Gras, S, Wilmann, P.G, Zhenjun, C, Hanim, H, Yu Chih, L, Kjer-Nielsen, L, Purcell, A.W, Burrows, S.R, Mccluskey, J, Rossjohn, J.
Deposit date:2011-06-22
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A structural basis for varied alpha-beta TCR usage against an immunodominant EBV antigen restricted to a HLA-B8 molecule.
J.Immunol., 188, 2012
3SKN
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BU of 3skn by Molmil
Crystal structure of the RL42 TCR unliganded
Descriptor: RL42 T cell receptor, alpha chain, beta chain
Authors:Gras, S, Wilmann, P.G, Zhenjun, C, Hanim, H, Yu Chih, L, Kjer-Nielsen, L, Purcell, A.W, Burrows, S.R, Mccluskey, J, Rossjohn, J.
Deposit date:2011-06-22
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A structural basis for varied alpha-beta TCR usage against an immunodominant EBV antigen restricted to a HLA-B8 molecule.
J.Immunol., 188, 2012
3SKO
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BU of 3sko by Molmil
Crystal structure of the HLA-B8-A66-FLR, mutant A66 of the HLA B8
Descriptor: Beta-2-microglobulin, Epstein-Barr nuclear antigen 3, HLA class I histocompatibility antigen, ...
Authors:Gras, S, Wilmann, P.G, Zhenjun, C, Hanim, H, Yu Chih, L, Kjer-Nielsen, L, Purcell, A.W, Burrows, S.R, Mccluskey, J, Rossjohn, J.
Deposit date:2011-06-22
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A structural basis for varied alpha-beta TCR usage against an immunodominant EBV antigen restricted to a HLA-B8 molecule.
J.Immunol., 188, 2012
1CF3
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BU of 1cf3 by Molmil
GLUCOSE OXIDASE FROM APERGILLUS NIGER
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, PROTEIN (GLUCOSE OXIDASE), ...
Authors:Hecht, H.J, Kalisz, H.
Deposit date:1999-03-23
Release date:1999-03-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:1.8 and 1.9 A resolution structures of the Penicillium amagasakiense and Aspergillus niger glucose oxidases as a basis for modelling substrate complexes.
Acta Crystallogr.,Sect.D, 55, 1999
4HUV
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BU of 4huv by Molmil
Crystal Structure of H2Db-NPM6W
Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ...
Authors:Gras, S, Twist, K.A, Rossjohn, J.
Deposit date:2012-11-04
Release date:2013-02-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Preemptive priming readily overcomes structure-based mechanisms of virus escape.
Proc.Natl.Acad.Sci.USA, 110, 2013
4HUU
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BU of 4huu by Molmil
Crystal Structure of H2Db-NPM6I
Descriptor: ACETATE ION, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ...
Authors:Gras, S, Twist, K.A, Rossjohn, J.
Deposit date:2012-11-04
Release date:2013-02-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Preemptive priming readily overcomes structure-based mechanisms of virus escape.
Proc.Natl.Acad.Sci.USA, 110, 2013
4HJM
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BU of 4hjm by Molmil
Crystal structure of Glutaredoxin 1 from Plasmodium falciparum (PfGrx1) solved by S-SAD
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Glutaredoxin
Authors:Manickam, Y, Sharma, A.
Deposit date:2012-10-13
Release date:2013-12-25
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.5462 Å)
Cite:Atomic resolution crystal structure of glutaredoxin 1 from Plasmodium falciparum and comparison with other glutaredoxins.
Acta Crystallogr.,Sect.D, 70, 2014
4HV8
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BU of 4hv8 by Molmil
Crystal Structure of H2Db-H155A-NPM6I
Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ...
Authors:Gras, S, Twist, K.A, Rossjohn, J.
Deposit date:2012-11-05
Release date:2013-02-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Preemptive priming readily overcomes structure-based mechanisms of virus escape.
Proc.Natl.Acad.Sci.USA, 110, 2013
4I8P
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BU of 4i8p by Molmil
Crystal structure of aminoaldehyde dehydrogenase 1a from Zea mays (ZmAMADH1a)
Descriptor: 1,2-ETHANEDIOL, Aminoaldehyde dehydrogenase 1, DI(HYDROXYETHYL)ETHER, ...
Authors:Morera, S, Vigouroux, A, Kopecny, D.
Deposit date:2012-12-04
Release date:2013-02-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Plant ALDH10 family: identifying critical residues for substrate specificity and trapping a thiohemiacetal intermediate.
J.Biol.Chem., 288, 2013
4L8D
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BU of 4l8d by Molmil
Crystal structure of the H2Db in complex with the NP-N5D peptide
Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ...
Authors:Rossjohn, J, Gras, S.
Deposit date:2013-06-16
Release date:2013-10-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Acute emergence and reversion of influenza A virus quasispecies within CD8(+) T cell antigenic peptides.
Nat Commun, 4, 2013
4L8B
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BU of 4l8b by Molmil
Crystal structure of the H2Db in complex with the NP-N5H peptide
Descriptor: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, H-2 class I histocompatibility antigen, ...
Authors:Rossjohn, J, Gras, S.
Deposit date:2013-06-16
Release date:2013-10-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Acute emergence and reversion of influenza A virus quasispecies within CD8(+) T cell antigenic peptides.
Nat Commun, 4, 2013
6VMX
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BU of 6vmx by Molmil
Structure of HD14 TCR in complex with HLA-B7 presenting an EBV epitope
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
Authors:Farenc, C, Rossjohn, J, Gras, S.
Deposit date:2020-01-28
Release date:2020-07-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A Shared TCR Bias toward an Immunogenic EBV Epitope Dominates in HLA-B*07:02-Expressing Individuals.
J Immunol., 205, 2020
4MZB
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BU of 4mzb by Molmil
Crystal structure of Grx1 from Plasmodium falciparum
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Glutaredoxin
Authors:Yogavel, M, Sharma, A.
Deposit date:2013-09-30
Release date:2013-10-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.038 Å)
Cite:Atomic resolution crystal structure of glutaredoxin 1 from Plasmodium falciparum and comparison with other glutaredoxins.
Acta Crystallogr.,Sect.D, 70, 2014
4H02
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BU of 4h02 by Molmil
Crystal structure of P. falciparum Lysyl-tRNA synthetase
Descriptor: Lysyl-tRNA synthetase
Authors:Khan, S, Garg, A, Sharma, A.
Deposit date:2012-09-07
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.905 Å)
Cite:Structural analysis of malaria-parasite lysyl-tRNA synthetase provides a platform for drug development.
Acta Crystallogr.,Sect.D, 69, 2013
4I8Q
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BU of 4i8q by Molmil
Structure of the aminoaldehyde dehydrogenase 1 E260A mutant from Solanum lycopersicum (SlAMADH1-E260A)
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Morera, S, Vigouroux, A, Kopecny, D.
Deposit date:2012-12-04
Release date:2013-02-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Plant ALDH10 family: identifying critical residues for substrate specificity and trapping a thiohemiacetal intermediate.
J.Biol.Chem., 288, 2013
4I9B
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BU of 4i9b by Molmil
Structure of aminoaldehyde dehydrogenase 1 from Solanum lycopersium (SlAMADH1) with a thiohemiacetal intermediate
Descriptor: (2-hydroxyethoxy)acetaldehyde, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Morera, S, Vigouroux, A, Kopecny, D.
Deposit date:2012-12-05
Release date:2013-02-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Plant ALDH10 family: identifying critical residues for substrate specificity and trapping a thiohemiacetal intermediate.
J.Biol.Chem., 288, 2013

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