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7NPF
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BU of 7npf by Molmil
Vibrio cholerae ParA2-ATPyS-DNA filament
Descriptor: AAA family ATPase, DNA (49-MER), MAGNESIUM ION, ...
Authors:Parker, A.V, Bergeron, J.R.C.
Deposit date:2021-02-26
Release date:2021-10-06
Last modified:2021-10-20
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:The structure of the bacterial DNA segregation ATPase filament reveals the conformational plasticity of ParA upon DNA binding.
Nat Commun, 12, 2021
7NLV
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BU of 7nlv by Molmil
WILDTYPE CORE-STREPTAVIDIN WITH a conjugated BIOTINYLATED PYRROLIDINE II
Descriptor: 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-N-((S)-pyrrolidin-3-yl)pentanamide, Streptavidin
Authors:Nodling, A.R, Santi, N, Tsai, Y.H, Rizkallah, P, Luk, L.Y.P, Jin, Y.
Deposit date:2021-02-22
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:The role of streptavidin and its variants in catalysis by biotinylated secondary amines.
Org.Biomol.Chem., 19, 2021
6MOM
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BU of 6mom by Molmil
Crystal structure of human Interleukin-1 receptor associated Kinase 4 (IRAK 4, CID 100300) in complex with compound NCC00371481 (BSI 107591)
Descriptor: 1,2-ETHANEDIOL, 6-[7-methoxy-6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine, Interleukin-1 receptor-associated kinase 4
Authors:Abendroth, J, Mayclin, S.J, Lorimer, D.D, Starczynowski, D, Hoyt, S, Tawa, G, Thomas, C.
Deposit date:2018-10-04
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Overcoming adaptive therapy resistance in AML by targeting immune response pathways.
Sci Transl Med, 11, 2019
7NPE
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BU of 7npe by Molmil
Vibrio cholerae ParA2-ADP
Descriptor: AAA family ATPase, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
Authors:Parker, A.V, Bergeron, J.R.C.
Deposit date:2021-02-26
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The cryo-EM structure of the bacterial type I segregation filament reveals ParA s conformational plasticity upon DNA binding
To Be Published
7N6E
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BU of 7n6e by Molmil
TCR peptide HLA-A2 complex
Descriptor: Beta-2-microglobulin, MHC class I antigen, Spike protein S1, ...
Authors:Chaurasia, P, Rossjohn, J, Petersen, J.
Deposit date:2021-06-08
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis of biased T cell receptor recognition of an immunodominant HLA-A2 epitope of the SARS-CoV-2 spike protein.
J.Biol.Chem., 297, 2021
7N6D
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HLA peptide complex
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, MHC class I antigen, ...
Authors:Chaurasia, P, Petersen, J, Rossjohn, J.
Deposit date:2021-06-08
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of biased T cell receptor recognition of an immunodominant HLA-A2 epitope of the SARS-CoV-2 spike protein.
J.Biol.Chem., 297, 2021
6N81
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BU of 6n81 by Molmil
Crystal structure of GII.4 2002 norovirus P domain in complex with cross-reactive human antibody A1227
Descriptor: A1227 Fab heavy chain, A1227 Fab light chain, Major capsid protein
Authors:Changela, A, Verardi, R, Kwong, P.D.
Deposit date:2018-11-28
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.579 Å)
Cite:Sera Antibody Repertoire Analyses Reveal Mechanisms of Broad and Pandemic Strain Neutralizing Responses after Human Norovirus Vaccination.
Immunity, 50, 2019
1BU5
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BU of 1bu5 by Molmil
X-RAY CRYSTAL STRUCTURE OF THE DESULFOVIBRIO VULGARIS (HILDENBOROUGH) APOFLAVODOXIN-RIBOFLAVIN COMPLEX
Descriptor: PROTEIN (FLAVODOXIN), RIBOFLAVIN, SULFATE ION
Authors:Walsh, M.A, Mccarthy, A, O'Farrell, P.A, Mccardle, P, Cunningham, P.D, Mayhew, S.G, Higgins, T.M.
Deposit date:1998-09-12
Release date:1999-02-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:X-ray crystal structure of the Desulfovibrio vulgaris (Hildenborough) apoflavodoxin-riboflavin complex.
Eur.J.Biochem., 258, 1998
7NPD
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BU of 7npd by Molmil
Vibiro cholerae ParA2
Descriptor: Walker A-type ATPase
Authors:Parker, A.V, Bergeron, J.R.C.
Deposit date:2021-02-26
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The structure of the bacterial DNA segregation ATPase filament reveals the conformational plasticity of ParA upon DNA binding.
Nat Commun, 12, 2021
6N8D
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BU of 6n8d by Molmil
Crystal structure of GII.4 2002 norovirus P domain in complex with neutralizing human antibody A1431
Descriptor: A1431 Fab heavy chain, A1431 Fab light chain, Major capsid protein
Authors:Changela, A, Verardi, R, Kwong, P.D.
Deposit date:2018-11-29
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Sera Antibody Repertoire Analyses Reveal Mechanisms of Broad and Pandemic Strain Neutralizing Responses after Human Norovirus Vaccination.
Immunity, 50, 2019
7O2M
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BU of 7o2m by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2289
Descriptor: 1-[(3~{S},6~{S},9~{S},19~{R})-3,6-bis(4-azanylbutyl)-2,5,8,12,15,18-hexakis(oxidanylidene)-9-(phenylmethyl)-1,4,7,11,14,17-hexazacyclotricos-19-yl]guanidine, Genome polyprotein
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2021-03-30
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
7OC2
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BU of 7oc2 by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2295
Descriptor: Cyclic 1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-BENZENE-(7-3)-7-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE-(7-19)-N-ACETYL-L-CYSTEINE-(8-25)-[3R-[3A,4A,5B(S*)]]-5-(1-CARBOXY-1-PHOSPHONOETHOXY)-4-HYDROXY-3-(PHOSPHONOOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID-()-(6E,11E)-HEPTADECA-6,11-DIENE-9,9-DIYLBIS(PHOSPHONIC ACID), Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2021-04-25
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
7O55
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BU of 7o55 by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2231
Descriptor: Inhibitor MI-2231, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2021-04-07
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
7OBV
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BU of 7obv by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2248
Descriptor: Inhibitor MI-2248, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2021-04-23
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
7P3D
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BU of 7p3d by Molmil
MHC I A02 Allele presenting YLQPRTFLL
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ...
Authors:Rizkallah, P.J, Sewell, A.K, Wall, A, Fuller, A.
Deposit date:2021-07-07
Release date:2021-07-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Emergence of immune escape at dominant SARS-CoV-2 killer T cell epitope.
Cell, 185, 2022
7P3E
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BU of 7p3e by Molmil
MHC I A02 Allele presenting YLQLRTFLL
Descriptor: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, IODIDE ION, ...
Authors:Rizkallah, P.J, Sewell, A.K, Wall, A, Fuller, A.
Deposit date:2021-07-07
Release date:2021-07-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Emergence of immune escape at dominant SARS-CoV-2 killer T cell epitope.
Cell, 185, 2022
7OTQ
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BU of 7otq by Molmil
Cryo-EM structure of ALC1/CHD1L bound to a PARylated nucleosome
Descriptor: Chromodomain-helicase-DNA-binding protein 1-like, DNA (149-MER) Widom 601 sequence, Histone H2A type 1, ...
Authors:Bacic, L, Gaullier, G, Deindl, S.
Deposit date:2021-06-10
Release date:2021-09-15
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Structure and dynamics of the chromatin remodeler ALC1 bound to a PARylated nucleosome
Elife, 10, 2021
7PBE
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BU of 7pbe by Molmil
Emergence of immune escape at dominant SARS-CoV-2 killer T-cell epitope
Descriptor: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, Human T-cell Receptor YLQ36, ...
Authors:Rizkallah, P.J, Sewell, A.K, Wall, A, Fuller, A.
Deposit date:2021-08-02
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Emergence of immune escape at dominant SARS-CoV-2 killer T cell epitope.
Cell, 185, 2022
7PRM
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BU of 7prm by Molmil
CRYSTAL STRUCTURE OF HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 13
Descriptor: (4~{R})-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]pyrrolidin-2-one, 1,2-ETHANEDIOL, Monoglyceride lipase
Authors:Grether, U, Gobbi, L, Kuhn, B, Collin, L, Leibrock, L, Heer, D, Wittwer, M, Benz, J.
Deposit date:2021-09-22
Release date:2022-02-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Development of High Brain-Penetrant and Reversible Monoacylglycerol Lipase PET Tracers for Neuroimaging.
J.Med.Chem., 65, 2022
7PFY
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BU of 7pfy by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2241
Descriptor: Inhibitor MI-2241, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2021-08-12
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
7PG1
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BU of 7pg1 by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2221
Descriptor: Inhibitor MI-2221, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2021-08-12
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
7PFQ
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BU of 7pfq by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2247
Descriptor: Inhibitor MI-2247, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2021-08-11
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
7PGC
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BU of 7pgc by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2191
Descriptor: Inhibitor MI-2191, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2021-08-13
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
7PFZ
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BU of 7pfz by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2267
Descriptor: Inhibitor MI-2267, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2021-08-12
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
7PQ9
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Crystal structure of Bacillus clausii pdxR at 2.8 Angstroms resolution
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Vivoli Vega, M, Isupov, M.N, Harmer, N.
Deposit date:2021-09-16
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into the DNA recognition mechanism by the bacterial transcription factor PdxR.
Nucleic Acids Res., 51, 2023

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