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6RT0
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BU of 6rt0 by Molmil
cryo-em structure of alpha-synuclein fibril polymorph 2A
Descriptor: Alpha-synuclein
Authors:Guerrero-Ferreira, R, Taylor, N.M.I, Arteni, A.A, Melki, R, Meier, B.H, Bockmann, A, Bousset, L, Stahlberg, H.
Deposit date:2019-05-22
Release date:2019-06-26
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Two new polymorphic structures of human full-length alpha-synuclein fibrils solved by cryo-electron microscopy.
Elife, 8, 2019
1NOG
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BU of 1nog by Molmil
Crystal Structure of Conserved Protein 0546 from Thermoplasma Acidophilum
Descriptor: conserved hypothetical protein TA0546
Authors:Saridakis, V, Sanishvili, R, Iakounine, A, Xu, X, Pennycooke, M, Gu, J, Joachimiak, A, Arrowsmith, C.H, Edwards, A.M, Christendat, D, Midwest Center for Structural Genomics (MCSG)
Deposit date:2003-01-16
Release date:2003-07-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The structural basis for methylmalonic aciduria. The crystal structure of archaeal ATP:cobalamin adenosyltransferase.
J.Biol.Chem., 279, 2004
5N1Y
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BU of 5n1y by Molmil
HLA-A02 carrying MVWGPDPLYV
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
Authors:Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K.
Deposit date:2017-02-06
Release date:2017-02-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity.
J. Clin. Invest., 126, 2016
5C0A
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BU of 5c0a by Molmil
1E6 TCR in complex with HLA-A02 carrying MVW peptide
Descriptor: 1,2-ETHANEDIOL, 1E6 TCR Alpha Chain, 1E6 TCR Beta Chain, ...
Authors:Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K.
Deposit date:2015-06-12
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity.
J.Clin.Invest., 126, 2016
5C0D
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BU of 5c0d by Molmil
HLA-A02 carrying AQWGPDPAAA
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
Authors:Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K.
Deposit date:2015-06-12
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity.
J.Clin.Invest., 126, 2016
5C0J
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BU of 5c0j by Molmil
HLA-A02 carrying RQFGPDWIVA
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, CALCIUM ION, ...
Authors:Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K.
Deposit date:2015-06-12
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity.
J.Clin.Invest., 126, 2016
5C0C
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BU of 5c0c by Molmil
1E6 TCR in complex with HLA-A02 carrying RQFGPDWIVA
Descriptor: 1,2-ETHANEDIOL, 1E6 TCR Alpha Chain, 1E6 TCR Beta Chain, ...
Authors:Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K.
Deposit date:2015-06-12
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.974 Å)
Cite:Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity.
J.Clin.Invest., 126, 2016
5C07
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BU of 5c07 by Molmil
1E6 TCR in complex with HLA-A02 carrying YQFGPDFPIA
Descriptor: 1,2-ETHANEDIOL, 1E6 TCR Alpha Chain, 1E6 TCR Beta Chain, ...
Authors:Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K.
Deposit date:2015-06-12
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity.
J.Clin.Invest., 126, 2016
5C09
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BU of 5c09 by Molmil
HLA class I histocompatibility antigen
Descriptor: 1E6 TCR Alpha Chain, 1E6 TCR Beta Chain, Beta-2-microglobulin, ...
Authors:Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K.
Deposit date:2015-06-12
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.475 Å)
Cite:Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity.
J.Clin.Invest., 126, 2016
5C08
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BU of 5c08 by Molmil
1E6 TCR in Complex with HLA-A0e carrying RQWGPDPAAV
Descriptor: 1,2-ETHANEDIOL, 1E6 TCR Alpha Chain, 1E6 TCR Beta Chain, ...
Authors:Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K.
Deposit date:2015-06-12
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.332 Å)
Cite:Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity.
J.Clin.Invest., 126, 2016
5C0F
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BU of 5c0f by Molmil
HLA-A02 carrying RQWGPDPAAV
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETIC ACID, ...
Authors:Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K.
Deposit date:2015-06-12
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.463 Å)
Cite:Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity.
J.Clin.Invest., 126, 2016
5C0B
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BU of 5c0b by Molmil
1E6 TCR in complex with HLA-A02 carrying RQFGPDFPTI
Descriptor: 1,2-ETHANEDIOL, 1E6 TCR Alpha Chain, 1E6 TCR Beta Chain, ...
Authors:Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K.
Deposit date:2015-06-12
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity.
J.Clin.Invest., 126, 2016
5C0G
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BU of 5c0g by Molmil
HLA-A02 carrying YLGGPDFPTI
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K.
Deposit date:2015-06-12
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity.
J.Clin.Invest., 126, 2016
5C0I
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BU of 5c0i by Molmil
HAL-A02 carrying RQFGPDFPTI
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, CALCIUM ION, ...
Authors:Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K.
Deposit date:2015-06-12
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity.
J.Clin.Invest., 126, 2016
5C0E
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BU of 5c0e by Molmil
HLA-A02 carrying YLGGPDFPTI
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, Beta-2-microglobulin, ...
Authors:Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K.
Deposit date:2015-06-12
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.491 Å)
Cite:Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity.
J.Clin.Invest., 126, 2016
8BA4
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BU of 8ba4 by Molmil
Crystal structure of JAK2 JH2-V617F in complex with Bemcentinib
Descriptor: 1-(3,4-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaen-5-yl)-~{N}3-[(7~{S})-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine, Tyrosine-protein kinase JAK2
Authors:Haikarainen, T, Silvennoinen, O.
Deposit date:2022-10-11
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8BA3
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BU of 8ba3 by Molmil
Crystal structure of JAK2 JH2 in complex with Bemcentinib
Descriptor: 1-(3,4-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaen-5-yl)-~{N}3-[(7~{S})-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine, GLYCEROL, Tyrosine-protein kinase JAK2
Authors:Haikarainen, T, Silvennoinen, O.
Deposit date:2022-10-11
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8B99
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BU of 8b99 by Molmil
Crystal structure of JAK2 JH2-V617F in complex with JNJ-7706621
Descriptor: 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, GLYCEROL, Tyrosine-protein kinase JAK2
Authors:Haikarainen, T, Silvennoinen, O.
Deposit date:2022-10-05
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8B8U
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BU of 8b8u by Molmil
Crystal structure of JAK2 JH2-V617F in complex with HTS-A3
Descriptor: 3,5-diphenyl-2-(trifluoromethyl)-1~{H}-pyrazolo[1,5-a]pyrimidin-7-one, GLYCEROL, Tyrosine-protein kinase JAK2
Authors:Haikarainen, T, Silvennoinen, O.
Deposit date:2022-10-05
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8B9H
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BU of 8b9h by Molmil
Crystal structure of JAK2 JH2 in complex with Z902-A3
Descriptor: 6-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-~{N}4-phenyl-1,3,5-triazine-2,4-diamine, GLYCEROL, Tyrosine-protein kinase JAK2
Authors:Haikarainen, T, Silvennoinen, O.
Deposit date:2022-10-06
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8B9E
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BU of 8b9e by Molmil
Crystal structure of JAK2 JH2-V617F in complex with Z902-A3
Descriptor: 6-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-~{N}4-phenyl-1,3,5-triazine-2,4-diamine, GLYCEROL, Tyrosine-protein kinase JAK2
Authors:Haikarainen, T, Silvennoinen, O.
Deposit date:2022-10-05
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8BAK
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BU of 8bak by Molmil
Crystal structure of JAK2 JH2-V617F in complex with Reversine
Descriptor: GLYCEROL, N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine, Tyrosine-protein kinase JAK2
Authors:Haikarainen, T, Silvennoinen, O.
Deposit date:2022-10-11
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8BAB
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BU of 8bab by Molmil
Crystal structure of JAK2 JH2-V617F in complex with CB76
Descriptor: 6-[(1-methylimidazol-2-yl)sulfanylmethyl]-~{N}4-(3-methylphenyl)-1,3,5-triazine-2,4-diamine, GLYCEROL, Tyrosine-protein kinase JAK2
Authors:Haikarainen, T, Silvennoinen, O.
Deposit date:2022-10-11
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8B8N
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BU of 8b8n by Molmil
Crystal structure of JAK2 JH2-V617F in complex with Cdk2 inhibitor IV
Descriptor: 4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide, GLYCEROL, Tyrosine-protein kinase JAK2
Authors:Haikarainen, T, Silvennoinen, O.
Deposit date:2022-10-04
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8BA2
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BU of 8ba2 by Molmil
Crystal structure of JAK2 JH2-V617F in complex with Z902-A1
Descriptor: 6-[[(5-bromanylthiophen-2-yl)methyl-methyl-amino]methyl]-~{N}4-(4-methylphenyl)-1,3,5-triazine-2,4-diamine, ACETATE ION, GLYCEROL, ...
Authors:Haikarainen, T, Silvennoinen, O.
Deposit date:2022-10-11
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023

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