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7VTG
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BU of 7vtg by Molmil
Pseudouridine bound structure of Pseudouridine kinase (PUKI) S30A mutant from Escherichia coli strain B
Descriptor: 5-[(2~{S},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{H}-pyrimidine-2,4-dione, Pseudouridine kinase
Authors:Kim, S.H, Rhee, S.
Deposit date:2021-10-29
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.89859128 Å)
Cite:Substrate-binding loop interactions with pseudouridine trigger conformational changes that promote catalytic efficiency of pseudouridine kinase PUKI.
J.Biol.Chem., 298, 2022
9EW5
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BU of 9ew5 by Molmil
Ternary structure of 14-3-3s, C-RAF phosphopeptide (pS259) 12mer and compound 23 (1083848)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-(4-iodophenyl)sulfonylpiperidin-4-yl]methyl]ethanamide, CALCIUM ION, ...
Authors:Konstantinidou, M, Vickery, H, Pennings, M.A.M, Virta, J, Visser, E.J, Oetelaar, M.C.M, Overmans, M, Neitz, J, Ottmann, C, Brunsveld, L, Arkin, M.R.
Deposit date:2024-04-03
Release date:2025-04-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Small molecule stabilization of the 14-3-3sigma/CRAF complex inhibits the MAPK pathway
To Be Published
6S1M
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BU of 6s1m by Molmil
Human polymerase delta holoenzyme Conformer 1
Descriptor: DNA polymerase delta catalytic subunit, DNA polymerase delta subunit 2, DNA polymerase delta subunit 3, ...
Authors:Lancey, C, Hamdan, S.M, De Biasio, A.
Deposit date:2019-06-19
Release date:2019-12-25
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (4.27 Å)
Cite:Structure of the processive human Pol delta holoenzyme.
Nat Commun, 11, 2020
5YWT
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BU of 5ywt by Molmil
Crystal structure of TREX1 in complex with a duplex DNA with 3' overhang
Descriptor: COBALT (II) ION, DNA (5'-D(*GP*GP*CP*CP*CP*T)-3'), MAGNESIUM ION, ...
Authors:Hsiao, Y.Y.
Deposit date:2017-11-30
Release date:2018-05-23
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for overhang excision and terminal unwinding of DNA duplexes by TREX1
PLoS Biol., 16, 2018
5UNL
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BU of 5unl by Molmil
Crystal structure of a D-beta-hydroxybutyrate dehydrogenase from Burkholderia multivorans
Descriptor: 1,2-ETHANEDIOL, 3-ketoacyl-ACP reductase, NITRATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-01-31
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of a D-beta-hydroxybutyrate dehydrogenase from Burkholderia multivorans
TO BE PUBLISHED
4U97
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BU of 4u97 by Molmil
Crystal Structure of Asymmetric IRAK4 Dimer
Descriptor: Interleukin-1 receptor-associated kinase 4, STAUROSPORINE, SULFATE ION
Authors:Ferrao, R, Wu, H.
Deposit date:2014-08-05
Release date:2014-09-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:IRAK4 Dimerization and trans-Autophosphorylation Are Induced by Myddosome Assembly.
Mol.Cell, 55, 2014
6UO0
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BU of 6uo0 by Molmil
Crystal structure of cytosolic fumarate hydratase from Leishmania major in a complex with S-malate
Descriptor: (2S)-2-hydroxybutanedioic acid, Fumarate hydratase 2, GLYCEROL, ...
Authors:Feliciano, P.R, Drennan, C.L.
Deposit date:2019-10-14
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and Biochemical Investigations of the [4Fe-4S] Cluster-Containing Fumarate Hydratase fromLeishmania major.
Biochemistry, 58, 2019
7XR4
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BU of 7xr4 by Molmil
Structure of human excitatory amino acid transporter 2 (EAAT2) in complex with glutamate
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, Excitatory amino acid transporter 2, ...
Authors:Zhao, Y, Zhang, Z.
Deposit date:2022-05-09
Release date:2022-06-22
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of ligand binding modes of human EAAT2.
Nat Commun, 13, 2022
4U8M
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BU of 4u8m by Molmil
Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant Y317A
Descriptor: 1,2-ETHANEDIOL, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ...
Authors:Qureshi, I.A, Chaudhary, R, Tanner, J.J.
Deposit date:2014-08-03
Release date:2014-12-03
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics.
Biochemistry, 53, 2014
4U9W
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BU of 4u9w by Molmil
Crystal Structure of NatD bound to H4/H2A peptide and CoA
Descriptor: COENZYME A, GLYCEROL, Histone H4/H2A N-terminus, ...
Authors:Magin, R.S, Liszczak, G.P, Marmorstein, R.
Deposit date:2014-08-06
Release date:2015-01-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:The Molecular Basis for Histone H4- and H2A-Specific Amino-Terminal Acetylation by NatD.
Structure, 23, 2015
6TG2
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BU of 6tg2 by Molmil
Structure of the PBP/SBP MotA in complex with mannopinic acid from A.tumefacien R10
Descriptor: (2~{R})-2-[[(3~{R},4~{R},5~{S})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]pentanedioic acid, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Morera, S, Marty, L.
Deposit date:2019-11-14
Release date:2020-01-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Import pathways of the mannityl-opines into the bacterial pathogen Agrobacterium tumefaciens: structural, affinity and in vivo approaches.
Biochem.J., 477, 2020
6TCO
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BU of 6tco by Molmil
Crystal structure of the omalizumab Fab Leu158Pro light chain mutant - crystal form I
Descriptor: 1,2-ETHANEDIOL, Omalizumab Fab Leu158Pro light chain mutant, SULFATE ION
Authors:Mitropoulou, A.N, Ceska, T, Beavil, A.J, Henry, A.J, McDonnell, J.M, Sutton, B.J, Davies, A.M.
Deposit date:2019-11-06
Release date:2020-03-18
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Engineering the Fab fragment of the anti-IgE omalizumab to prevent Fab crystallization and permit IgE-Fc complex crystallization.
Acta Crystallogr.,Sect.F, 76, 2020
7W1B
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BU of 7w1b by Molmil
Glycosyltransferase
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIGITOXIGENIN, Glycosyltransferase, ...
Authors:Wei, H, Feng, L.
Deposit date:2021-11-19
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Functional and Structural Dissection of a Plant Steroid 3-O-Glycosyltransferase Facilitated the Engineering Enhancement of Sugar Donor Promiscuity
Acs Catalysis, 2022
4U8J
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BU of 4u8j by Molmil
Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant Y104A
Descriptor: 1,2-ETHANEDIOL, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ...
Authors:Qureshi, I.A, Chaudhary, R, Tanner, J.J.
Deposit date:2014-08-03
Release date:2014-12-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics.
Biochemistry, 53, 2014
7ZYK
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BU of 7zyk by Molmil
Compound 9 Bound to CK2alpha
Descriptor: 2-(5-bromanyl-6-chloranyl-1~{H}-indol-3-yl)ethanenitrile, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Brear, P, Hyvonen, M.
Deposit date:2022-05-25
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
4U8K
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BU of 4u8k by Molmil
Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant Q107A
Descriptor: 1,2-ETHANEDIOL, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ...
Authors:Qureshi, I.A, Chaudhary, R, Tanner, J.J.
Deposit date:2014-08-03
Release date:2014-12-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics.
Biochemistry, 53, 2014
7F3X
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BU of 7f3x by Molmil
Lysophospholipid acyltransferase LPCAT3 in complex with lysophosphatidylcholine
Descriptor: LPCAT3, [2-((1-OXODODECANOXY-(2-HYDROXY-3-PROPANYL))-PHOSPHONATE-OXY)-ETHYL]-TRIMETHYLAMMONIUM
Authors:Zhang, Q, Yao, D, Rao, B, Li, S, Jian, L, Chen, Y, Hu, K, Xia, Y, Shen, Y, Cao, Y.
Deposit date:2021-06-17
Release date:2021-12-01
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.57 Å)
Cite:The structural basis for the phospholipid remodeling by lysophosphatidylcholine acyltransferase 3.
Nat Commun, 12, 2021
5FY7
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BU of 5fy7 by Molmil
Crystal structure of JmjC domain of human histone demethylase UTY in complex with succinate
Descriptor: 1,2-ETHANEDIOL, HISTONE DEMETHYLASE UTY, MANGANESE (II) ION, ...
Authors:Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
Deposit date:2016-03-04
Release date:2016-03-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal Structure of Jmjc Domain of Human Histone Demethylase Uty in Complex with Succinate
To be Published
5AIX
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BU of 5aix by Molmil
Complex of human hematopoietic prostagandin D2 synthase (hH-PGDS) in complex with an active site inhibitor.
Descriptor: 6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide, GLUTATHIONE, HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE, ...
Authors:Edfeldt, F, Evenas, J, Lepisto, M, Ward, A, Petersen, J, Wissler, L, Rohman, M, Sivars, U, Svensson, K, Perry, M, Feierberg, I, Zhou, X, Hansson, T, Narjes, F.
Deposit date:2015-02-18
Release date:2015-06-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of Indole Inhibitors of Human Hematopoietic Prostaglandin D2 Synthase (Hh-Pgds).
Bioorg.Med.Chem.Lett., 25, 2015
7WLU
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BU of 7wlu by Molmil
The Flattened Structure of mPIEZO1 in Lipid Bilayer
Descriptor: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, Piezo-type mechanosensitive ion channel component 1
Authors:Yang, X, Lin, C, Chen, X, Li, S, Li, X, Xiao, B.
Deposit date:2022-01-13
Release date:2022-04-13
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (6.81 Å)
Cite:Structure deformation and curvature sensing of PIEZO1 in lipid membranes.
Nature, 604, 2022
5AI2
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BU of 5ai2 by Molmil
Anomalous Neutron phased crystal structure of 113Cd-substituted Perdeuterated Pyrococcus furiosus rubredoxin to 1.75A resolution at 295K
Descriptor: CADMIUM ION, RUBREDOXIN, deuterium(1+)
Authors:Cuypers, M.G, Mossou, E, Mason, S.A.
Deposit date:2015-02-11
Release date:2016-03-02
Last modified:2024-05-08
Method:NEUTRON DIFFRACTION (1.75 Å)
Cite:Macromolecular Structure Phasing by Neutron Anomalous Diffraction.
Sci.Rep., 6, 2016
5L6Y
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BU of 5l6y by Molmil
il13 in complex with tralokinumab
Descriptor: FORMIC ACID, Interleukin-13, tralokinumab FAb digest VH, ...
Authors:Breed, J.
Deposit date:2016-06-01
Release date:2016-12-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural Characterisation Reveals Mechanism of IL-13-Neutralising Monoclonal Antibody Tralokinumab as Inhibition of Binding to IL-13R alpha 1 and IL-13R alpha 2.
J. Mol. Biol., 429, 2017
5A5X
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BU of 5a5x by Molmil
Crystal Structure of Se-Met MltF from Pseudomonas aeruginosa
Descriptor: 1,2-ETHANEDIOL, MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F
Authors:Dominguez-Gil, T, Acebron, I, Hermoso, J.A.
Deposit date:2015-06-23
Release date:2016-10-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa.
Structure, 24, 2016
7WLK
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BU of 7wlk by Molmil
CryoEM structure of human low-voltage activated T-type calcium channel Cav3.3 in complex with Otilonium Bromide(OB)
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-[diethyl(methyl)-$l^{4}-azanyl]ethyl 4-[(2-octoxyphenyl)carbonylamino]benzoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y.
Deposit date:2022-01-13
Release date:2022-05-04
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure, gating, and pharmacology of human Ca V 3.3 channel.
Nat Commun, 13, 2022
7JXU
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BU of 7jxu by Molmil
Structure of monobody 32 human MLKL pseudokinase domain complex
Descriptor: 1,2-ETHANEDIOL, Mixed lineage kinase domain-like protein, Monobody 32
Authors:Meng, Y, Garnish, S.E, Koide, A, Koide, S, Czabotar, P.E, Murphy, J.M.
Deposit date:2020-08-28
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Conformational interconversion of MLKL and disengagement from RIPK3 precede cell death by necroptosis.
Nat Commun, 12, 2021

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