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4GU3
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BU of 4gu3 by Molmil
Crystal structure of the T1L reovirus attachment protein sigma1 in complex with the GM2 glycan
Descriptor: N-acetyl-alpha-neuraminic acid-(2-3)-[2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Outer capsid protein sigma-1
Authors:Reiss, K, Stehle, T.
Deposit date:2012-08-29
Release date:2012-12-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:The GM2 Glycan Serves as a Functional Coreceptor for Serotype 1 Reovirus.
Plos Pathog., 8, 2012
4GU4
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BU of 4gu4 by Molmil
Crystal structure of the T1L reovirus attachment protein sigma1 in complex with alpha-2,3-sialyllactose
Descriptor: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Outer capsid protein sigma-1
Authors:Reiss, K, Stehle, T.
Deposit date:2012-08-29
Release date:2012-12-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:The GM2 Glycan Serves as a Functional Coreceptor for Serotype 1 Reovirus.
Plos Pathog., 8, 2012
3TW5
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BU of 3tw5 by Molmil
Crystal structure of the GP42 transglutaminase from Phytophthora sojae
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Transglutaminase elicitor
Authors:Reiss, K, Kirchner, E, Zocher, G, Stehle, T.
Deposit date:2011-09-21
Release date:2011-10-12
Last modified:2020-10-21
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural and Phylogenetic Analyses of the GP42 Transglutaminase from Phytophthora sojae Reveal an Evolutionary Relationship between Oomycetes and Marine Vibrio Bacteria.
J.Biol.Chem., 286, 2011
4XC5
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BU of 4xc5 by Molmil
CRYSTAL STRUCTURE OF THE T1L REOVIRUS ATTACHMENT PROTEIN SIGMA1
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Reiss, K, Stehle, T.
Deposit date:2014-12-17
Release date:2015-04-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of Serotype 1 Reovirus Attachment Protein sigma 1 in Complex with Junctional Adhesion Molecule A Reveals a Conserved Serotype-Independent Binding Epitope.
J.Virol., 89, 2015
6DW3
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BU of 6dw3 by Molmil
SAMHD1 Bound to Cytarabine-TP in the Catalytic Pocket
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
Authors:Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y.
Deposit date:2018-06-26
Release date:2018-10-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DW7
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BU of 6dw7 by Molmil
SAMHD1 without Catalytic Nucleotides
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GLYCINE, ...
Authors:Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y.
Deposit date:2018-06-26
Release date:2018-10-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DW5
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BU of 6dw5 by Molmil
SAMHD1 Bound to Gemcitabine-TP in the Catalytic Pocket
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
Authors:Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y.
Deposit date:2018-06-26
Release date:2018-10-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DWJ
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BU of 6dwj by Molmil
SAMHD1 Bound to Vidarabine-TP in the Catalytic Pocket
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
Authors:Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y.
Deposit date:2018-06-26
Release date:2018-10-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DWD
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BU of 6dwd by Molmil
SAMHD1 Bound to Clofarabine-TP in the Catalytic Pocket and Allosteric Pocket
Descriptor: 3,3',3''-phosphanetriyltripropanoic acid, 9-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-2-me thyl-9H-purin-6-amine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
Authors:Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y.
Deposit date:2018-06-26
Release date:2018-10-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DW4
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BU of 6dw4 by Molmil
SAMHD1 Bound to Cladribine-TP in the Catalytic Pocket and Allosteric Pocket
Descriptor: 2'-deoxy-2-methyladenosine 5'-(tetrahydrogen triphosphate), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y.
Deposit date:2018-06-26
Release date:2018-10-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DWK
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BU of 6dwk by Molmil
SAMHD1 Bound to Fludarabine-TP in the Catalytic Pocket
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-fluoro-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-a mine, ...
Authors:Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y.
Deposit date:2018-06-26
Release date:2018-10-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4EUK
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BU of 4euk by Molmil
Crystal structure
Descriptor: 1,2-ETHANEDIOL, Histidine kinase 5, Histidine-containing phosphotransfer protein 1, ...
Authors:Stehle, T, Bauer, J.
Deposit date:2012-04-25
Release date:2013-02-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Function Analysis of Arabidopsis thaliana Histidine Kinase AHK5 Bound to Its Cognate Phosphotransfer Protein AHP1.
Mol Plant, 6, 2013
5MHR
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BU of 5mhr by Molmil
T3D reovirus sigma1 complexed with 9BG5 Fab fragments
Descriptor: 9BG5 Fab heavy chain, 9BG5 Fab light chain,LOC100046793 protein,MAb 110 light chain, Viral attachment protein sigma 1
Authors:Stehle, T, Dietrich, M.H.
Deposit date:2016-11-25
Release date:2017-02-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Insights into Reovirus sigma 1 Interactions with Two Neutralizing Antibodies.
J. Virol., 91, 2017
5MHS
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BU of 5mhs by Molmil
T1L reovirus sigma1 complexed with 5C6 Fab fragments
Descriptor: 5C6 Fab heavy chain, 5C6 Fab light chain, Outer capsid protein sigma-1
Authors:Stehle, T, Dietrich, M.H.
Deposit date:2016-11-25
Release date:2016-12-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structural Insights into Reovirus sigma 1 Interactions with Two Neutralizing Antibodies.
J. Virol., 91, 2017
4ODB
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BU of 4odb by Molmil
Crystal structure of the T1L reovirus attachment protein sigma1 in complex with Junctional Adhesion Molecule-A
Descriptor: Junctional adhesion molecule A, Outer capsid protein sigma-1
Authors:Stettner, E, Stehle, T.
Deposit date:2014-01-10
Release date:2015-04-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The JAM-A binding site is conserved in reovirus sigma1: Structure of the T1L sigma1-JAM-A complex
To be Published
6OYB
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BU of 6oyb by Molmil
Crystal structure of H62G mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2019-05-14
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020
6OYE
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BU of 6oye by Molmil
Crystal structure of Y99F mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2019-05-14
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020
6OYG
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BU of 6oyg by Molmil
Crystal structure of H62F mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2019-05-14
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020
6OY8
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BU of 6oy8 by Molmil
Crystal structure of Y99G mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2019-05-14
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020
7MRV
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BU of 7mrv by Molmil
F100A mutant structure of MIF2 (D-DT)
Descriptor: D-dopachrome decarboxylase, SULFATE ION
Authors:Murphy, E.L, Manjula, R, Murphy, J.W, Lolis, E.
Deposit date:2021-05-09
Release date:2021-08-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:A structurally preserved allosteric site in the MIF superfamily affects enzymatic activity and CD74 activation in D-dopachrome tautomerase.
J.Biol.Chem., 297, 2021
7MRU
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BU of 7mru by Molmil
Crystal structure of S62A MIF2 mutant
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, D-dopachrome decarboxylase
Authors:Murphy, E.L, Manjula, R, Murphy, J.W, Lolis, E.
Deposit date:2021-05-09
Release date:2021-08-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:A structurally preserved allosteric site in the MIF superfamily affects enzymatic activity and CD74 activation in D-dopachrome tautomerase.
J.Biol.Chem., 297, 2021
7MW7
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BU of 7mw7 by Molmil
Crystal structure of P1G mutant of D-dopachrome tautomerase
Descriptor: D-dopachrome decarboxylase, SODIUM ION, SULFATE ION
Authors:Manjula, R, Murphy, E.L, Murphy, J.W, Lolis, E.
Deposit date:2021-05-15
Release date:2021-08-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:A structurally preserved allosteric site in the MIF superfamily affects enzymatic activity and CD74 activation in D-dopachrome tautomerase.
J.Biol.Chem., 297, 2021
7MSE
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BU of 7mse by Molmil
High-resolution crystal structure of hMIF2 with tartrate at the active site
Descriptor: D-dopachrome decarboxylase, L(+)-TARTARIC ACID
Authors:Murphy, E.L, Manjula, R, Murphy, J.W, Lolis, E.
Deposit date:2021-05-11
Release date:2021-08-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:A structurally preserved allosteric site in the MIF superfamily affects enzymatic activity and CD74 activation in D-dopachrome tautomerase.
J.Biol.Chem., 297, 2021
5UMK
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BU of 5umk by Molmil
Crystal structure of H62Y mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2017-01-27
Release date:2018-02-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020
5UMJ
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BU of 5umj by Molmil
Crystal structure of H62A mutant of human macrophage migration inhibitory factor
Descriptor: ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, SULFATE ION
Authors:Pantouris, G, Lolis, E.
Deposit date:2017-01-27
Release date:2018-02-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020

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