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5JOZ
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BU of 5joz by Molmil
Bacteroides ovatus Xyloglucan PUL GH43B
Descriptor: CALCIUM ION, Non-reducing end alpha-L-arabinofuranosidase BoGH43B
Authors:Hemsworth, G.R, Thompson, A.J, Stepper, J, Sobala, L.F, Coyle, T, Larsbrink, J, Spadiut, O, Stubbs, K.A, Brumer, H, Davies, G.J.
Deposit date:2016-05-03
Release date:2016-08-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural dissection of a complex Bacteroides ovatus gene locus conferring xyloglucan metabolism in the human gut.
Open Biology, 6, 2016
6V34
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BU of 6v34 by Molmil
Crystal structure of BRAF V600E oncogenic mutant in complex with TAK-580
Descriptor: 6-amino-5-chloro-N-[(1R)-1-(5-{[5-chloro-4-(trifluoromethyl)pyridin-2-yl]carbamoyl}-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide, Serine/threonine-protein kinase B-raf
Authors:Gonzalez Del-Pino, G, Li, K, Eck, M.J.
Deposit date:2019-11-25
Release date:2020-12-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Crystal structure of BRAF V600E oncogenic mutant in complex with TAK-580
To Be Published
5K3J
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BU of 5k3j by Molmil
Crystals structure of Acyl-CoA oxidase-2 in Caenorhabditis elegans bound with FAD, ascaroside-CoA, and ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Acyl-coenzyme A oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Zhang, X, Li, K, Jones, R.A, Bruner, S.D, Butcher, R.A.
Deposit date:2016-05-19
Release date:2016-08-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structural characterization of acyl-CoA oxidases reveals a direct link between pheromone biosynthesis and metabolic state in Caenorhabditis elegans.
Proc.Natl.Acad.Sci.USA, 113, 2016
6V3C
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BU of 6v3c by Molmil
K2P2.1(TREK-1)I110D:Ru360 bound channel structure
Descriptor: CADMIUM ION, HEXANE, N-OCTANE, ...
Authors:Pope, L, Lolicato, M, Minor, D.L.
Deposit date:2019-11-25
Release date:2020-02-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:Polynuclear Ruthenium Amines Inhibit K2PChannels via a "Finger in the Dam" Mechanism.
Cell Chem Biol, 2020
5K44
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BU of 5k44 by Molmil
Structure of Mycobacterium thermoresistibile trehalose-6-phosphate synthase in a complex with Trehalose-6-phosphate.
Descriptor: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 6-O-phosphono-alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, ...
Authors:Mendes, V, Verma, N, Blaszczyk, M, Blundell, T.L.
Deposit date:2016-05-20
Release date:2017-06-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.925 Å)
Cite:Mycobacterial OtsA Structures Unveil Substrate Preference Mechanism and Allosteric Regulation by 2-Oxoglutarate and 2-Phosphoglycerate.
Mbio, 10, 2019
6V3J
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BU of 6v3j by Molmil
KIR3DL1 in complex with HLA-B*57:03 presenting the peptide LSSPVTKSF
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, HLA-B alpha chain (B*5703GB), ...
Authors:Maclachlan, B, Rossjohn, J, Vivian, J.P.
Deposit date:2019-11-25
Release date:2020-05-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:The molecular basis of how buried human leukocyte antigen polymorphism modulates natural killer cell function.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VFN
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BU of 6vfn by Molmil
Crystal structure of SpeG allosteric polyamine acetyltransferase from Bacillus thuringiensis in complex with spermine
Descriptor: SPERMINE, Spermidine N1-acetyltransferase
Authors:Tsimbalyuk, S, Shornikov, A, Le, V.T.B, Kuhn, M.L, Forwood, J.K.
Deposit date:2020-01-05
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:SpeG polyamine acetyltransferase enzyme from Bacillus thuringiensis forms a dodecameric structure and exhibits high catalytic efficiency.
J.Struct.Biol., 210, 2020
8EN1
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BU of 8en1 by Molmil
Structure of GII.4 norovirus in complex with Nanobody 30
Descriptor: GII.4 P domain, Nanobody 30
Authors:Kher, G, Sabin, C, Pancera, M, Koromyslova, A, Hansman, G.
Deposit date:2022-09-28
Release date:2023-03-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Direct Blockade of the Norovirus Histo-Blood Group Antigen Binding Pocket by Nanobodies.
J.Virol., 97, 2023
6VG1
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BU of 6vg1 by Molmil
xenopus protocadherin 8.1 EC1-6
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Harrison, O.J, Brasch, B, Shapiro, L.S.
Deposit date:2020-01-07
Release date:2020-03-11
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Family-wide Structural and Biophysical Analysis of Binding Interactions among Non-clustered delta-Protocadherins.
Cell Rep, 30, 2020
8F07
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BU of 8f07 by Molmil
Proteinase K Anomalous Dataset at 273 K and 12 keV
Descriptor: CALCIUM ION, Proteinase K, SULFATE ION
Authors:Doukov, T, Yabukarski, F, Herschlag, D.
Deposit date:2022-11-01
Release date:2023-03-15
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
6VH0
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BU of 6vh0 by Molmil
1.95 A resolution structure of MERS 3CL protease in complex with inhibitor 6g
Descriptor: N~2~-{[(5-ethyl-1,3-dioxan-5-yl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, Orf1a protein
Authors:Lovell, S, Battaile, K.P, Kashipathy, M.M, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C.
Deposit date:2020-01-09
Release date:2020-08-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
Sci Transl Med, 12, 2020
6V3N
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BU of 6v3n by Molmil
Crystal structure of CDYL2 in complex with H3K27me3
Descriptor: ACE-GLN-LEU-ALA-THR-LYS-ALA-ALA-ARG-M3L-SER-ALA-PRO-ALA-THR-TYR-NH2, Chromodomain Y-like protein 2, UNKNOWN ATOM OR ION
Authors:Qin, S, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
Deposit date:2019-11-26
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Basis for the Binding Selectivity of Human CDY Chromodomains.
Cell Chem Biol, 27, 2020
4ZDX
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BU of 4zdx by Molmil
Structure of OXA-51 beta-lactamase
Descriptor: 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, Beta-lactamase, GLYCEROL
Authors:Smith, C.A, Antunes, N.T, Stewart, N.K, Frase, H, Toth, M, Kantardjieff, K.A, Vakulenko, S.B.
Deposit date:2015-04-20
Release date:2015-06-17
Last modified:2015-09-02
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structural Basis for Enhancement of Carbapenemase Activity in the OXA-51 Family of Class D beta-Lactamases.
Acs Chem.Biol., 10, 2015
5JSI
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BU of 5jsi by Molmil
Structure of membrane protein
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Bacteriorhodopsin, EICOSANE, ...
Authors:Melnikov, I, Polovinkin, V, Kovalev, K, Shevchenko, V, Gushchin, I, Popov, A, Gordeliy, V.
Deposit date:2016-05-08
Release date:2017-05-31
Last modified:2023-03-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fast iodide-SAD phasing for high-throughput membrane protein structure determination.
Sci Adv, 3, 2017
8F0B
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BU of 8f0b by Molmil
Lysozyme Anomalous Dataset at 240 K and 7.1 keV
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Doukov, T, Yabukarski, F, Herschlag, D.
Deposit date:2022-11-02
Release date:2023-03-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
4ZFJ
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BU of 4zfj by Molmil
Ergothioneine-biosynthetic Ntn hydrolase EgtC, apo form
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Amidohydrolase EgtC
Authors:Vit, A, Seebeck, F.P, Blankenfeldt, W.
Deposit date:2015-04-21
Release date:2015-07-01
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of the Ergothioneine-Biosynthesis Amidohydrolase EgtC.
Chembiochem, 16, 2015
5K7O
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BU of 5k7o by Molmil
MicroED structure of lysozyme at 1.8 A resolution
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:de la Cruz, M.J, Hattne, J, Shi, D, Seidler, P, Rodriguez, J, Reyes, F.E, Sawaya, M.R, Cascio, D, Eisenberg, D, Gonen, T.
Deposit date:2016-05-26
Release date:2017-04-05
Last modified:2018-08-22
Method:ELECTRON CRYSTALLOGRAPHY (1.8 Å)
Cite:Atomic-resolution structures from fragmented protein crystals with the cryoEM method MicroED.
Nat. Methods, 14, 2017
8H62
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BU of 8h62 by Molmil
Crystal structure of Internalin A from Listeria monocytogenes with human E-cadherin EC12
Descriptor: ACETATE ION, CALCIUM ION, Cadherin-1, ...
Authors:Caaveiro, J.M.M, Nagatoish, S, Tsumoto, K.
Deposit date:2022-10-14
Release date:2023-10-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Anti-InlA single-domain antibodies that inhibit the cell invasion of Listeria monocytogenes.
J.Biol.Chem., 299, 2023
8H4Q
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BU of 8h4q by Molmil
Aspergillomarasmine A biosynthese complex with OPS
Descriptor: 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, Rhodanese domain-containing protein
Authors:Lu, M, Zhang, J, Wang, Z, Han, L.
Deposit date:2022-10-11
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Aspergillomarasmine A biosynthese complex with OPS
To Be Published
6UV6
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BU of 6uv6 by Molmil
AtmM with bound rebeccamycin analogue
Descriptor: 12-beta-D-glucopyranosyl-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione, D-glucose O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Alvarado, S.K, Wang, Z, Miller, M.D, Thorson, J.S, Phillips Jr, G.N.
Deposit date:2019-11-01
Release date:2020-11-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Structure of AtmM Bound with Glycosylated Indolocarbazole
To Be Published
8EN6
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BU of 8en6 by Molmil
Structure of GII.4 norovirus in complex with Nanobody 76
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GII.4 P domain, ...
Authors:Kher, G, Sabin, C, Pancera, M, Koromyslova, A, Hansman, G.
Deposit date:2022-09-28
Release date:2023-03-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Direct Blockade of the Norovirus Histo-Blood Group Antigen Binding Pocket by Nanobodies.
J.Virol., 97, 2023
8H8O
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BU of 8h8o by Molmil
Crystal structure of apo-R52W/E56W/R59W/E63W-rHLFr
Descriptor: 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ...
Authors:Hishikawa, Y, Noya, H, Maity, B, Abe, S, Ueno, T.
Deposit date:2022-10-23
Release date:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Elucidating Conformational Dynamics and Thermostability of Designed Aromatic Clusters by Using Protein Cages.
Chemistry, 29, 2023
5K8E
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BU of 5k8e by Molmil
Xylooligosaccharide oxidase from Myceliophthora thermophila C1
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rozeboom, H.J, Ferrari, A.R, Fraaije, M.W.
Deposit date:2016-05-30
Release date:2016-09-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Discovery of a Xylooligosaccharide Oxidase from Myceliophthora thermophila C1.
J.Biol.Chem., 291, 2016
8H1I
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BU of 8h1i by Molmil
Crystal structure of PlyGRCS, a bacteriophage Endolysin in complex with Cold shock protein C
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Cold shock-like protein CspC, ...
Authors:Padmanabhan, B, Gopinatha, K, Mandal, M, Saranya, G, Sudhagar, B.
Deposit date:2022-10-03
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of PlyGRCS, a bacteriophage Endolysin in complex with Cold shock protein C
To Be Published
8F03
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BU of 8f03 by Molmil
Thaumatin Anomalous Dataset at 293 K and 12 keV
Descriptor: L(+)-TARTARIC ACID, POTASSIUM ION, Thaumatin I
Authors:Doukov, T, Yabukarski, F, Herschlag, D.
Deposit date:2022-11-01
Release date:2023-03-15
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023

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