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4L4V
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BU of 4l4v by Molmil
Structure of human MAIT TCR in complex with human MR1-RL-6-Me-7-OH
Descriptor: 1-deoxy-1-(7-hydroxy-6-methyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ...
Authors:Patel, O, Kjer-Nielsen, L, Le Nours, J, Eckle, S.B.G, Birkinshaw, R.W, Beddoe, T, Corbett, A.J, Liu, L, Miles, J.J, Meehan, B, Reantragoon, R, Sandoval-Romero, M.L, Sullivan, L.C, Brooks, A.G, Chen, Z, Fairlie, D.P, McCluskey, J, Rossjohn, J.
Deposit date:2013-06-09
Release date:2013-07-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Recognition of vitamin B metabolites by mucosal-associated invariant T cells.
Nat Commun, 4, 2013
4L3C
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BU of 4l3c by Molmil
Structure of HLA-A2 in complex with D76N b2m mutant and NY-ESO1 double mutant
Descriptor: Beta-2-microglobulin, CHLORIDE ION, GLYCEROL, ...
Authors:Halabelian, L, Giorgetti, S, Bellotti, V, Bolognesi, M, Ricagno, S.
Deposit date:2013-06-05
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Class I Major Histocompatibility Complex, the Trojan Horse for Secretion of Amyloidogenic beta 2-Microglobulin.
J.Biol.Chem., 289, 2014
8DGX
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BU of 8dgx by Molmil
Crystal structure of MERS-CoV spike stem helix peptide in complex with Fab of broadly neutralizing antibody CC68.109 isolated from a vaccinated COVID-19 convalescent
Descriptor: Antibody CC68.109 Fab heavy chain, Antibody CC68.109 Fab light chain, Spike protein S2'
Authors:Liu, H, Wilson, I.A.
Deposit date:2022-06-24
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Broadly neutralizing anti-S2 antibodies protect against all three human betacoronaviruses that cause deadly disease.
Immunity, 56, 2023
8DGU
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BU of 8dgu by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with Fab of broadly neutralizing antibody CC25.106 isolated from a vaccinated COVID-19 convalescent
Descriptor: Antibody CC25.106 Fab heavy chain, Antibody CC25.106 Fab light chain, GLYCEROL, ...
Authors:Liu, H, Wilson, I.A.
Deposit date:2022-06-24
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Broadly neutralizing anti-S2 antibodies protect against all three human betacoronaviruses that cause deadly disease.
Immunity, 56, 2023
8DGV
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BU of 8dgv by Molmil
Crystal structure of MERS-CoV spike stem helix peptide in complex with Fab of broadly neutralizing antibody CC99.103 isolated from a vaccinated COVID-19 convalescent
Descriptor: Antibody CC99.103 Fab heavy chain, Antibody CC99.103 Fab light chain, Spike protein S2'
Authors:Liu, H, Wilson, I.A.
Deposit date:2022-06-24
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Broadly neutralizing anti-S2 antibodies protect against all three human betacoronaviruses that cause deadly disease.
Immunity, 56, 2023
8DGW
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BU of 8dgw by Molmil
Crystal structure of HCoV-HKU1 spike stem helix peptide in complex with Fab of broadly neutralizing antibody CC95.108 isolated from a vaccinated COVID-19 convalescent
Descriptor: Antibody CC95.108 Fab heavy chain, Antibody CC95.108 Fab light chain, Spike protein S2'
Authors:Liu, H, Wilson, I.A.
Deposit date:2022-06-24
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Broadly neutralizing anti-S2 antibodies protect against all three human betacoronaviruses that cause deadly disease.
Immunity, 56, 2023
4L29
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BU of 4l29 by Molmil
Structure of wtMHC class I with NY-ESO1 double mutant
Descriptor: Beta-2-microglobulin, CHLORIDE ION, GLYCEROL, ...
Authors:Halabelian, L, Giorgetti, S, Bellotti, V, Bolognesi, M, Ricagno, S.
Deposit date:2013-06-04
Release date:2013-12-25
Last modified:2014-02-26
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Class I Major Histocompatibility Complex, the Trojan Horse for Secretion of Amyloidogenic beta 2-Microglobulin.
J.Biol.Chem., 289, 2014
2LAH
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BU of 2lah by Molmil
Solution NMR Structure of Mitotic checkpoint serine/threonine-protein kinase BUB1 N-terminal domain from Homo sapiens, Northeast Structural Genomics Consortium Target HR5460A (Methods Development)
Descriptor: Mitotic checkpoint serine/threonine-protein kinase BUB1
Authors:Liu, G, Xiao, R, Lee, H, Hamilton, K, Acton, T.B, Ciccosanti, C, Everett, J.K, Shastry, R.T, Huang, Y.J, Montelione, G.T, Northeast Structural Genomics Consortium, n, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-03-14
Release date:2011-05-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Northeast Structural Genomics Consortium Target HR5460A
To be Published
3O0J
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BU of 3o0j by Molmil
PDE4B In complex with ligand an2898
Descriptor: 1,2-ETHANEDIOL, 4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzene-1,2-dicarbonitrile, MAGNESIUM ION, ...
Authors:Alley, M.R.K, Zhou, Y.
Deposit date:2010-07-19
Release date:2011-08-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Boron-based phosphodiesterase inhibitors show novel binding of boron to PDE4 bimetal center.
Febs Lett., 586, 2012
7PQE
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BU of 7pqe by Molmil
Structure of SidJ/CaM bound to SdeA in post-catalysis state
Descriptor: CALCIUM ION, Calmodulin, Calmodulin-dependent glutamylase SidJ, ...
Authors:Adams, M, Bhogaraju, S.
Deposit date:2021-09-17
Release date:2021-10-06
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis for protein glutamylation by the Legionella pseudokinase SidJ.
Nat Commun, 12, 2021
5LIN
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BU of 5lin by Molmil
Lysozyme, collected at rotation 1 degree per second
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Casanas, A, Finke, A, Wang, M.
Deposit date:2016-07-15
Release date:2016-08-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.496 Å)
Cite:EIGER detector: application in macromolecular crystallography.
Acta Crystallogr D Struct Biol, 72, 2016
4A7Q
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BU of 4a7q by Molmil
Structure of human I113T SOD1 mutant complexed with 4-(4-methyl-1,4- diazepan-1-yl)quinazoline in the p21 space group.
Descriptor: 4-(4-METHYL-1,4-DIAZEPAN-1-YL)QUINAZOLINE, COPPER (II) ION, SULFATE ION, ...
Authors:Wright, G.S.A, Kershaw, N.M, Antonyuk, S.V, Strange, R.W, ONeil, P.M, Hasnain, S.S.
Deposit date:2011-11-14
Release date:2012-10-24
Last modified:2013-08-28
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:X-Ray Crystallography and Computational Docking for the Detection and Development of Protein-Ligand Interactions.
Curr.Med.Chem., 20, 2013
5LIS
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BU of 5lis by Molmil
Insulin solved by Native SAD from a dataset collected in one second
Descriptor: Insulin
Authors:Casanas, A, Finke, A, Wang, M.
Deposit date:2016-07-15
Release date:2016-08-03
Last modified:2016-09-28
Method:X-RAY DIFFRACTION (2.293 Å)
Cite:EIGER detector: application in macromolecular crystallography.
Acta Crystallogr D Struct Biol, 72, 2016
5LIO
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BU of 5lio by Molmil
Lysozyme, collected at rotation 360 degree per second
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Casanas, A, Finke, A, Wang, M.
Deposit date:2016-07-15
Release date:2016-08-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.496 Å)
Cite:EIGER detector: application in macromolecular crystallography.
Acta Crystallogr D Struct Biol, 72, 2016
7ZP7
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BU of 7zp7 by Molmil
Crystal structure of evolved photoenzyme EnT1.3 (truncated) with bound product
Descriptor: (1~{R},10~{R},12~{S})-15-oxa-8-azatetracyclo[8.5.0.0^{1,12}.0^{2,7}]pentadeca-2(7),3,5-trien-9-one, 1,2-ETHANEDIOL, EnT1.3 C
Authors:Hardy, F.J, Levy, C.
Deposit date:2022-04-26
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A designed photoenzyme for enantioselective [2+2] cycloadditions.
Nature, 611, 2022
1MZG
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BU of 1mzg by Molmil
X-Ray Structure of SufE from E.coli Northeast Structural Genomics (NESG) Consortium Target ER30
Descriptor: SufE Protein
Authors:Kuzin, A, Edstrom, W.C, Xiao, R, Acton, T.B, Rost, B, Tong, L, Montelione, G.T, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2002-10-07
Release date:2003-01-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The SufE sulfur-acceptor protein contains a conserved core structure that mediates interdomain interactions in a variety of redox protein complexes
J.Mol.Biol., 344, 2004
7ZP6
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BU of 7zp6 by Molmil
Crystal structure of evolved photoenzyme EnT1.3
Descriptor: Diisopropyl-fluorophosphatase
Authors:Hardy, F.J, Levy, C.
Deposit date:2022-04-26
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A designed photoenzyme for enantioselective [2+2] cycloadditions.
Nature, 611, 2022
7ZP5
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BU of 7zp5 by Molmil
Crystal structure of designed photoenzyme EnT1.0
Descriptor: Diisopropyl-fluorophosphatase, PHOSPHATE ION
Authors:Hardy, F.J, Levy, C.
Deposit date:2022-04-26
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:A designed photoenzyme for enantioselective [2+2] cycloadditions.
Nature, 611, 2022
5ULA
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BU of 5ula by Molmil
Crystal Structure of the First Bromodomain of Human BRD4 in Complex With Cyclic Vinylogous Amide Inhibitor MS402
Descriptor: 3-chloranyl-~{N}-(4-methoxyphenyl)-4-[(2-methyl-3-oxidanylidene-cyclopenten-1-yl)amino]benzamide, Bromodomain-containing protein 4
Authors:Plotnikov, A.N, Joshua, j, Zhou, M.-M.
Deposit date:2017-01-24
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:BET N-terminal bromodomain inhibition selectively blocks Th17 cell differentiation and ameliorates colitis in mice.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3UF1
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BU of 3uf1 by Molmil
Crystal Structure of Vimentin (fragment 144-251) from Homo sapiens, Northeast Structural Genomics Consortium Target HR4796B
Descriptor: Vimentin
Authors:Kuzin, A, Abashidze, M, Vorobiev, S.M, Patel, P, Xiao, R, Ciccosanti, C, Shastry, R, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-10-31
Release date:2011-11-30
Last modified:2013-04-24
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:The structure of vimentin linker 1 and rod 1B domains characterized by site-directed spin-labeling electron paramagnetic resonance (SDSL-EPR) and X-ray crystallography.
J.Biol.Chem., 287, 2012
8FEC
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BU of 8fec by Molmil
Structure of J-PKAc chimera complexed with Aplithianine derivative
Descriptor: 6-[(6P)-6-(4-bromo-1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7H-purine, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Du, L, Wilson, B.A.P, Li, N, Martinez Fiesco, J.A, Dalilian, M, Wang, D, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R.
Deposit date:2022-12-06
Release date:2023-10-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
8FE2
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BU of 8fe2 by Molmil
Structure of J-PKAc chimera complexed with Aplithianine A
Descriptor: 6-[(6M)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-9H-purine, DnaJ homolog subfamily B member 1, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Du, L, Wilson, B.A.P, Li, N, Dalilian, M, Wang, D, Martinez Fiesco, J.A, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R.
Deposit date:2022-12-05
Release date:2023-10-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
1NXU
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BU of 1nxu by Molmil
CRYSTAL STRUCTURE OF E. COLI HYPOTHETICAL OXIDOREDUCTASE YIAK NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET ER82.
Descriptor: Hypothetical oxidoreductase yiaK, SULFATE ION
Authors:Forouhar, F, Lee, I, Benach, J, Kulkarni, K, Xiao, R, Acton, T.B, Shastry, R, Rost, B, Montelione, G.T, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2003-02-11
Release date:2003-03-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Novel NAD-binding Protein Revealed by the Crystal Structure of 2,3-Diketo-L-gulonate Reductase (YiaK).
J.Biol.Chem., 279, 2004
3GI3
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BU of 3gi3 by Molmil
Crystal structure of a N-Phenyl-N'-Naphthylurea analog in complex with p38 MAP kinase
Descriptor: Mitogen-activated protein kinase 14, N-{5-tert-butyl-2-methoxy-3-[({4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl}carbamoyl)amino]phenyl}methanesulfonamide
Authors:Qian, K.C.
Deposit date:2009-03-05
Release date:2009-10-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery and characterization of the N-phenyl-N'-naphthylurea class of p38 kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
1ERP
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BU of 1erp by Molmil
NUCLEAR MAGNETIC RESONANCE SOLUTION STRUCTURE OF THE PHEROMONE ER-10 FROM THE CILIATED PROTOZOAN EUPLOTES RAIKOVI
Descriptor: PHEROMONE ER-10
Authors:Brown, L.R, Mronga, S, Bradshaw, R, Ortenzi, C, Luporini, P, Wuthrich, K.
Deposit date:1992-12-02
Release date:1993-10-31
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Nuclear magnetic resonance solution structure of the pheromone Er-10 from the ciliated protozoan Euplotes raikovi.
J.Mol.Biol., 231, 1993

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