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5MXO
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BU of 5mxo by Molmil
Crystal structure of 14-3-3sigma and a p53 C-terminal 12-mer synthetic phosphopeptide stabilized by Fusicoccin-A
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, FUSICOCCIN, ...
Authors:Andrei, S, Ottmann, C, Leysen, S.
Deposit date:2017-01-24
Release date:2017-11-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Small-molecule stabilization of the p53 - 14-3-3 protein-protein interaction.
FEBS Lett., 591, 2017
6RY6
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BU of 6ry6 by Molmil
Crystal structure of Dfg5 from Chaetomium thermophilum in complex with glucosamine
Descriptor: 2-amino-2-deoxy-alpha-D-glucopyranose, CALCIUM ION, Mannan endo-1,6-alpha-mannosidase, ...
Authors:Essen, L.-O, Vogt, M.S.
Deposit date:2019-06-10
Release date:2020-08-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural base for the transfer of GPI-anchored glycoproteins into fungal cell walls.
Proc.Natl.Acad.Sci.USA, 117, 2020
6RYI
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BU of 6ryi by Molmil
WUS-HD bound to G-Box DNA
Descriptor: DNA (5'-D(P*CP*CP*CP*AP*TP*CP*AP*CP*GP*TP*GP*AP*CP*GP*AP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*TP*CP*AP*CP*GP*TP*GP*AP*TP*GP*GP*G)-3'), Protein WUSCHEL
Authors:Sloan, J.J, Wild, K, Sinning, I.
Deposit date:2019-06-10
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.691 Å)
Cite:Structural basis for the complex DNA binding behavior of the plant stem cell regulator WUSCHEL.
Nat Commun, 11, 2020
6RYT
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BU of 6ryt by Molmil
Engineered beta-lactoglobulin: variant M107L
Descriptor: Beta-lactoglobulin, GLYCEROL, PHOSPHATE ION
Authors:Loch, J.I, Kurpiewska, K, Lewinski, K.
Deposit date:2019-06-11
Release date:2019-06-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design approach to rational site-directed mutagenesis of beta-lactoglobulin.
J.Struct.Biol., 210, 2020
5MY5
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BU of 5my5 by Molmil
Tungstate binding protein - TupA - from Desulfovibrio alaskensis G20
Descriptor: ABC transporter periplasmic substrate-binding protein, CHLORIDE ION, SODIUM ION
Authors:Otrelo-Cardoso, A.R, Correia, M.A.S.C, Santos-Silva, T.
Deposit date:2017-01-25
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Highly selective tungstate transporter protein TupA from Desulfovibrio alaskensis G20.
Sci Rep, 7, 2017
5MYD
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BU of 5myd by Molmil
Convergent evolution involving dimeric and trimeric dUTPases in signalling.
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DUTPase, MAGNESIUM ION
Authors:Donderis, J, Bowring, J, Maiques, E, Ciges-Tomas, J.R, Alite, C, Mehmedov, I, Tormo-Mas, M.A, Penades, J.R, Marina, A.
Deposit date:2017-01-26
Release date:2017-09-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Convergent evolution involving dimeric and trimeric dUTPases in pathogenicity island mobilization.
PLoS Pathog., 13, 2017
5M7B
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BU of 5m7b by Molmil
Blood group synthase AAGlyB in complex with UDP and cryoprotected with glycerol
Descriptor: GLYCEROL, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
Authors:Rocha, J, Royant, A.
Deposit date:2016-10-27
Release date:2017-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Blood group synthase AAGlyB in complex with UDP and cryoprotected with glycerol
To be published
6S04
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BU of 6s04 by Molmil
Crystal structure of an inverting family GH156 exosialidase from uncultured bacterium pG7 in complex with N-glycolylneuraminic acid
Descriptor: ACETATE ION, GLYCEROL, N-glycolyl-beta-neuraminic acid, ...
Authors:Bule, P, Blagova, E, Chuzel, L, Taron, C.H, Davies, G.J.
Deposit date:2019-06-13
Release date:2019-11-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inverting family GH156 sialidases define an unusual catalytic motif for glycosidase action.
Nat Commun, 10, 2019
6RFK
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BU of 6rfk by Molmil
Crystal structure of EGRCK-inhibited Gla-domainless fIXa (K148Q, R150Q variant)
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Coagulation factor IX, ...
Authors:Huntington, J.A, Sendall, T.J.
Deposit date:2019-04-15
Release date:2019-06-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:NMR resonance assignments of apo and EGRCK-inhibited factor IXa
To Be Published
6RGE
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BU of 6rge by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with an inhibitor
Descriptor: CITRIC ACID, NAD kinase 1, [(2~{R},3~{R},4~{R},5~{R})-2-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-16
Release date:2020-05-13
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with an inhibitor
To Be Published
5MQR
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BU of 5mqr by Molmil
Sialidase BT_1020
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-L-arabinobiosidase, ...
Authors:Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
Deposit date:2016-12-20
Release date:2017-03-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
5MAC
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BU of 5mac by Molmil
Crystal structure of decameric Methanococcoides burtonii Rubisco complexed with 2-carboxyarabinitol bisphosphate
Descriptor: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Gunn, L.H, Valegard, K, Andersson, I.
Deposit date:2016-11-03
Release date:2017-02-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A unique structural domain in Methanococcoides burtonii ribulose-1,5-bisphosphate carboxylase/oxygenase (Rubisco) acts as a small subunit mimic.
J. Biol. Chem., 292, 2017
6RGT
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BU of 6rgt by Molmil
Crystal structure of the cofactor-free Aspergillus flavus urate oxidase T57A variant anaerobically complexed with 9-methyl uric acid
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 9-METHYL URIC ACID, ...
Authors:Bui, S, Lowden, S.R.J, Steiner, R.A.
Deposit date:2019-04-17
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the cofactor-free Aspergillus flavus urate oxidase T57A variant anaerobically complexed with 9-methyl uric acid
To Be Published
6RGY
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BU of 6rgy by Molmil
Revisiting pH-gated conformational switch. Complex HK853-RR468 pH 7.5
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CITRIC ACID, MAGNESIUM ION, ...
Authors:Mideros-Mora, C, Casino, P, Marina, A.
Deposit date:2019-04-18
Release date:2020-02-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Revisiting the pH-gated conformational switch on the activities of HisKA-family histidine kinases.
Nat Commun, 11, 2020
5MCL
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BU of 5mcl by Molmil
Radiation damage to GH7 Family Cellobiohydrolase from Daphnia pulex: Dose (DWD) 18.4 MGy
Descriptor: Cellobiohydrolase CHBI, GLYCEROL, SULFATE ION
Authors:Bury, C.S, McGeehan, J.E, Ebrahim, A, Garman, E.F.
Deposit date:2016-11-10
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:OH cleavage from tyrosine: debunking a myth.
J Synchrotron Radiat, 24, 2017
6RHE
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BU of 6rhe by Molmil
CpOGA D298N in complex with hOGA-derived S-GlcNAc peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-ALA-HIS-CYS-GLY-NH2, CADMIUM ION, ...
Authors:Van Aalten, D, Bartual, S.G, Gorelik, A.
Deposit date:2019-04-19
Release date:2019-12-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Genetic recoding to dissect the roles of site-specific protein O-GlcNAcylation.
Nat.Struct.Mol.Biol., 26, 2019
5MDO
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BU of 5mdo by Molmil
Crystal structure of in vitro folded Chitoporin VhChip from Vibrio harveyi (crystal form I)
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Chitoporin, SODIUM ION
Authors:Zahn, M, van den Berg, B.
Deposit date:2016-11-13
Release date:2017-12-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for chitin acquisition by marine Vibrio species.
Nat Commun, 9, 2018
5MEA
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BU of 5mea by Molmil
Crystal structure of yeast Cdt1 (N terminal and middle domain), form 2.
Descriptor: Cell division cycle protein CDT1, GLYCEROL, SULFATE ION
Authors:Pye, V.E, Frigola, J, Diffley, J.F.X, Cherepanov, P.
Deposit date:2016-11-14
Release date:2017-05-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.152 Å)
Cite:Cdt1 stabilizes an open MCM ring for helicase loading.
Nat Commun, 8, 2017
6RJ6
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BU of 6rj6 by Molmil
Crystal structure of PHGDH in complex with BI-4924
Descriptor: 2-[4-[(1~{S})-1-[[4,5-bis(chloranyl)-1,6-dimethyl-indol-2-yl]carbonylamino]-2-oxidanyl-ethyl]phenyl]sulfonylethanoic acid, D-3-phosphoglycerate dehydrogenase
Authors:Bader, G, Wolkerstorfer, B, Zoephel, A.
Deposit date:2019-04-26
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.984 Å)
Cite:Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
6RFV
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BU of 6rfv by Molmil
Revisiting pH-gated conformational switch. Complex HK853-RR468 pH 7
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Response regulator, ...
Authors:Mideros-Mora, C, Casino, P, Marina, A.
Deposit date:2019-04-16
Release date:2020-02-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Revisiting the pH-gated conformational switch on the activities of HisKA-family histidine kinases.
Nat Commun, 11, 2020
5MFT
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BU of 5mft by Molmil
The crystal structure of E. coli Aminopeptidase N in complex with 7-amino-1-bromo-4-phenyl-5,7,8,9-tetrahydrobenzocyclohepten-6-one
Descriptor: Aminopeptidase N, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Peng, G, Olieric, V, McEwen, A.G, Schmitt, C, Albrecht, S, Cavarelli, J, Tarnus, C.
Deposit date:2016-11-18
Release date:2017-04-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Insight into the remarkable affinity and selectivity of the aminobenzosuberone scaffold for the M1 aminopeptidases family based on structure analysis.
Proteins, 85, 2017
6RGD
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BU of 6rgd by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an inhibitor
Descriptor: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[4-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]but-3-ynylamino]methyl]oxolane-3,4-diol, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-16
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
5MGG
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BU of 5mgg by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 4-chloropyridine derivative 3
Descriptor: 4-chloranyl-~{N}-methyl-pyridine-2-carboxamide, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Lolli, G, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-11-21
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
5MGJ
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BU of 5mgj by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridine derivative 1
Descriptor: Bromodomain adjacent to zinc finger domain protein 2A, ethyl 4-chloranyl-1-methyl-6-oxidanylidene-pyridine-3-carboxylate
Authors:Lolli, G, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-11-21
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
5MGL
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BU of 5mgl by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 4-chloropyridine derivative 3
Descriptor: 4-chloranyl-~{N}-methyl-pyridine-2-carboxamide, Bromodomain adjacent to zinc finger domain protein 2A
Authors:Lolli, G, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-11-21
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.651 Å)
Cite:Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017

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