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6NI3
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BU of 6ni3 by Molmil
B2V2R-Gs protein subcomplex of a GPCR-G protein-beta-arrestin mega-complex
Descriptor: 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Endolysin,Beta-2 adrenergic receptor chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Nguyen, A.H, Thomsen, A.R.B, Cahill, T.J, des Georges, A, Lefkowitz, R.J.
Deposit date:2018-12-26
Release date:2019-11-20
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure of an endosomal signaling GPCR-G protein-beta-arrestin megacomplex.
Nat.Struct.Mol.Biol., 26, 2019
6NI2
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BU of 6ni2 by Molmil
Stabilized beta-arrestin 1-V2T subcomplex of a GPCR-G protein-beta-arrestin mega-complex
Descriptor: Beta-arrestin-1, Fab30 Heavy Chain, Fab30 Light Chain, ...
Authors:Nguyen, A.H, Thomsen, A.R.B, Cahill, T.J, des Georges, A, Lefkowitz, R.J.
Deposit date:2018-12-26
Release date:2019-11-20
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure of an endosomal signaling GPCR-G protein-beta-arrestin megacomplex.
Nat.Struct.Mol.Biol., 26, 2019
6NAE
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BU of 6nae by Molmil
Crystal Structure of Ebola zaire GP protein with bound ARN0074898
Descriptor: (1S,3R,5R,7S)-N-(trans-4-aminocyclohexyl)-3-methyl-5-phenyltricyclo[3.3.1.1~3,7~]decane-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-12-05
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Discovery of Adamantane Carboxamides as Ebola Virus Cell Entry and Glycoprotein Inhibitors.
Acs Med.Chem.Lett., 11, 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
4ZT1
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BU of 4zt1 by Molmil
Crystal structure of human E-Cadherin (residues 3-213) in x-dimer conformation
Descriptor: CALCIUM ION, Cadherin-1
Authors:Nardone, V, Lucarelli, A.P, Dalle Vedove, A, Parisini, E.
Deposit date:2015-05-14
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal Structure of Human E-Cadherin-EC1EC2 in Complex with a Peptidomimetic Competitive Inhibitor of Cadherin Homophilic Interaction.
J.Med.Chem., 59, 2016
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
4ZTE
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BU of 4zte by Molmil
Crystal structure of human E-Cadherin (residues 3-213) in complex with a peptidomimetic inhibitor
Descriptor: CALCIUM ION, Cadherin-1, N-{[(2S,5S)-1-benzyl-5-(2-{[(2S,3S)-1-(tert-butylamino)-3-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl)-3,6-dioxopiperazin-2-yl]methyl}-L-alpha-asparagine
Authors:Nardone, V, Lucarelli, A.P, Dalle Vedove, A, Parisini, E.
Deposit date:2015-05-14
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Crystal Structure of Human E-Cadherin-EC1EC2 in Complex with a Peptidomimetic Competitive Inhibitor of Cadherin Homophilic Interaction.
J.Med.Chem., 59, 2016
6HM9
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BU of 6hm9 by Molmil
Crystal structure of a BA3943 mutant,a CE4 family pseudoenzyme with restored enzymatic activity.
Descriptor: ACETATE ION, Putative polysaccharide deacetylase, SULFATE ION
Authors:Molfetas, A, Tomatsidou, A, Kokkinidis, M.
Deposit date:2018-09-12
Release date:2019-10-09
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.71311 Å)
Cite:The resurrection of a dead enzyme.
To Be Published
6OBX
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BU of 6obx by Molmil
Montbretin A analogue M10-MbA in complex with Human pancreatic alpha-amylase
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Caner, S, Brayer, G.D.
Deposit date:2019-03-21
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Synthesis of montbretin A analogues yields potent competitive inhibitors of human pancreatic alpha-amylase.
Chem Sci, 10, 2019
4WYI
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BU of 4wyi by Molmil
The crystal structure of Arabidopsis thaliana galactolipid synthase, MGD1 (apo-form)
Descriptor: Monogalactosyldiacylglycerol synthase 1, chloroplastic
Authors:Rocha, J, Breton, C.
Deposit date:2014-11-17
Release date:2016-02-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights and membrane binding properties of MGD1, the major galactolipid synthase in plants.
Plant J., 85, 2016
3LAA
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BU of 3laa by Molmil
Crystal structure of the trimeric autotransporter adhesin head domain BpaA from Burkholderia pseudomallei
Descriptor: Haemagglutinin family protein
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-01-06
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure of a Burkholderia pseudomallei trimeric autotransporter adhesin head.
Plos One, 5, 2010
3LA9
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BU of 3la9 by Molmil
Crystal structure of the trimeric autotransporter adhesin head domain BpaA from Burkholderia pseudomallei, iodide phased
Descriptor: Haemagglutinin family protein, IODIDE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-01-06
Release date:2010-05-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of a Burkholderia pseudomallei trimeric autotransporter adhesin head.
Plos One, 5, 2010
5NGB
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BU of 5ngb by Molmil
X-Ray Diffraction Crystal Structure of the murine PI3K p110delta in complex with a pan inhibitor
Descriptor: 3-[[4-(2-morpholin-4-yl-4-oxidanylidene-3~{H}-quinolin-8-yl)-1,2,3-triazol-1-yl]methyl]benzoic acid, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Berndt, A, Williams, R.L.
Deposit date:2017-03-17
Release date:2017-09-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of a Potent Phosphoinositide 3-Kinase Pan Inhibitor Displaying a Strategic Carboxylic Acid Group and Development of Its Prodrugs.
ChemMedChem, 12, 2017
5V2N
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BU of 5v2n by Molmil
Crystal Structure of APO Human SETD8
Descriptor: 1,2-ETHANEDIOL, N-lysine methyltransferase KMT5A
Authors:Skene, R.J.
Deposit date:2017-03-05
Release date:2018-03-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:The dynamic conformational landscape of the protein methyltransferase SETD8.
Elife, 8, 2019
7F8T
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BU of 7f8t by Molmil
Re-refinement of the 2XRY X-ray structure of archaeal class II CPD photolyase from Methanosarcina mazei
Descriptor: Deoxyribodipyrimidine photolyase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Maestre-Reyna, M, Yang, C.-H, Huang, W.C, Nango, E, Gusti-Ngurah-Putu, E.-P, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Sugahara, M, Owada, S, Joti, Y, Tanaka, R, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2021-07-02
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7VJ8
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BU of 7vj8 by Molmil
SFX structure of archaeal class II CPD photolyase from Methanosarcina mazei in the oxidized state
Descriptor: DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Maestre-Reyna, M, Yang, C.-H, Huang, W.C, Nango, E, Gusti-Ngurah-Putu, E.-P, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Sugahara, M, Owada, S, Joti, Y, Tanaka, R, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2021-09-28
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7VJ7
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BU of 7vj7 by Molmil
SFX structure of archaeal class II CPD photolyase from Methanosarcina mazei in the fully reduced state
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Maestre-Reyna, M, Yang, C.-H, Huang, W.C, Nango, E, Gusti-Ngurah-Putu, E.-P, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Sugahara, M, Owada, S, Joti, Y, Tanaka, R, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2021-09-28
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
5XHT
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BU of 5xht by Molmil
The PHD finger of human Kiaa1045 protein
Descriptor: PHD finger protein 24, ZINC ION
Authors:Miyamoto, K.
Deposit date:2017-04-24
Release date:2018-05-02
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of the PHD finger from the human KIAA1045 protein
Protein Sci., 27, 2018
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
7VJ6
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BU of 7vj6 by Molmil
SFX structure of archaeal class II CPD photolyase from Methanosarcina mazei in the semiquinone state
Descriptor: DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Maestre-Reyna, M, Yang, C.-H, Huang, W.C, Nango, E, Gusti-Ngurah-Putu, E.-P, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Sugahara, M, Owada, S, Joti, Y, Tanaka, R, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2021-09-28
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
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
6XOF
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BU of 6xof by Molmil
Crystal structure of SCLam, a non-specific endo-beta-1,3(4)-glucanase from family GH16
Descriptor: CALCIUM ION, GH16 family protein, GLYCEROL
Authors:Liberato, M.V, Bernardes, A, Polikarpov, I, Squina, F.
Deposit date:2020-07-07
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Insights into the dual cleavage activity of the GH16 laminarinase enzyme class on beta-1,3 and beta-1,4 glycosidic bonds.
J.Biol.Chem., 296, 2021
5B6X
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BU of 5b6x by Molmil
A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 760 ns after photoexcitation
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
Authors:Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S.
Deposit date:2016-06-02
Release date:2016-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016

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