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6RY5
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BU of 6ry5 by Molmil
Crystal structure of Dfg5 from Chaetomium thermophilum in complex with alpha-1,6-mannobiose
Descriptor: CALCIUM ION, Mannan endo-1,6-alpha-mannosidase, TRIETHYLENE GLYCOL, ...
Authors:Essen, L.-O, Vogt, M.S.
Deposit date:2019-06-10
Release date:2020-08-12
Last modified:2020-09-16
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
6D9F
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BU of 6d9f by Molmil
Protein 60 with aldehyde deformylating oxidase activity from Kitasatospora setae
Descriptor: 1,2-ETHANEDIOL, FE (III) ION, Putative VlmB homolog, ...
Authors:Arenas, R, Wilson, D.K, Mak, W.S, Siegel, J.B.
Deposit date:2018-04-28
Release date:2019-05-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Discovery, Design, and Structural Characterization of Alkane-Producing Enzymes across the Ferritin-like Superfamily.
Biochemistry, 59, 2020
5TCS
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BU of 5tcs by Molmil
Crystal structure of a Dwarf Ndc80 Tetramer
Descriptor: Kinetochore protein NDC80, Kinetochore protein NUF2, Kinetochore protein SPC24, ...
Authors:Valverde, R, Harrison, S.C.
Deposit date:2016-09-15
Release date:2016-11-23
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (2.8313 Å)
Cite:Conserved Tetramer Junction in the Kinetochore Ndc80 Complex.
Cell Rep, 17, 2016
5FSB
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BU of 5fsb by Molmil
Structure of tectonin 2 from laccaria bicolor in complex with 2-o-methyl-methyl-seleno-beta-l-fucopyranoside
Descriptor: BORIC ACID, MAGNESIUM ION, SULFATE ION, ...
Authors:Sommer, R, Bleuer, S, Titz, A, Kunzler, M, Varrot, A.
Deposit date:2016-01-04
Release date:2017-03-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structures of Fungal Tectonin in Complex with O-Methylated Glycans Suggest Key Role in Innate Immune Defense.
Structure, 26, 2018
7MP8
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BU of 7mp8 by Molmil
Crystal structure of the cytosolic domain of Tribolium castaneum PINK1 in the non-phosphorylated state
Descriptor: SULFATE ION, Serine/threonine-protein kinase PINK1, mitochondrial-like Protein
Authors:Rasool, S, Veyron, S, Trempe, J.F.
Deposit date:2021-05-04
Release date:2021-12-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mechanism of PINK1 activation by autophosphorylation and insights into assembly on the TOM complex.
Mol.Cell, 82, 2022
6DWM
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BU of 6dwm by Molmil
Structure of Human Cytochrome P450 1A1 with Bergamottin
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 4-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one, Cytochrome P450 1A1, ...
Authors:Bart, A.G, Scott, E.E.
Deposit date:2018-06-26
Release date:2018-10-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structures of human cytochrome P450 1A1 with bergamottin and erlotinib reveal active-site modifications for binding of diverse ligands.
J. Biol. Chem., 293, 2018
5FVS
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BU of 5fvs by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-methyl-6-(2-(5-(3-(methylamino)propyl)pyridin-3-yl) ethyl)pyridin-2-amine
Descriptor: 4-METHYL-6-(2-(5-(3-(METHYLAMINO)PROPYL)PYRIDIN-3-YL)ETHYL)PYRIDIN-2-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2016-02-10
Release date:2016-04-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.948 Å)
Cite:Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker.
J.Med.Chem., 59, 2016
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:2020-09-16
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
6RYV
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BU of 6ryv by Molmil
Copper oxidase from Colletotrichum graminicola
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Kelch domain-containing protein, ...
Authors:Offen, W.A, Henrissat, B, Davies, G.J.
Deposit date:2019-06-12
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of a Fungal Copper Radical Oxidase with High Catalytic Efficiency toward 5-Hydroxymethylfurfural and Benzyl Alcohols for Bioprocessing
Acs Catalysis, 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
7LYU
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BU of 7lyu by Molmil
Reelin repeat 8
Descriptor: CALCIUM ION, Reelin, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Turk, L.S, Comoletti, D.
Deposit date:2021-03-08
Release date:2022-06-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of Reelin repeat 8 and the adjacent C-terminal region.
Biophys.J., 121, 2022
6IVP
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BU of 6ivp by Molmil
Crystal structure of a membrane protein P262A
Descriptor: CHLORIDE ION, ZINC ION, bestrophin
Authors:Kittredge, A, Fukuda, F, Zhang, Y, Yang, T.
Deposit date:2018-12-04
Release date:2019-11-06
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
6D4Q
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BU of 6d4q by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 14 (VCC900455)
Descriptor: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, cycloheptyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone
Authors:Ascher, D.B, Pacitto, A, Blundell, T.L.
Deposit date:2018-04-18
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
8TRQ
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BU of 8trq by Molmil
T cell recognition of citrullinated vimentin peptide presented by HLA-DR4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, A07 TCR alpha chain, A07 TCR beta chain, ...
Authors:Loh, T.J, Lim, J.J, Reid, H.H, Rossjohn, J.
Deposit date:2023-08-10
Release date:2024-07-31
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The molecular basis underlying T cell specificity towards citrullinated epitopes presented by HLA-DR4.
Nat Commun, 15, 2024
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
7LV3
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BU of 7lv3 by Molmil
Crystal structure of human protein kinase G (PKG) R-C complex in inhibited state
Descriptor: 1,2-ETHANEDIOL, Isoform Beta of cGMP-dependent protein kinase 1, MANGANESE (II) ION, ...
Authors:Sharma, R, Lying, Q, Casteel, D, Kim, C.
Deposit date:2021-02-23
Release date:2022-08-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:An auto-inhibited state of protein kinase G and implications for selective activation.
Elife, 11, 2022
5TI8
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BU of 5ti8 by Molmil
Crystal Structure of an aspartate aminotransferase from Pseudomonas
Descriptor: Aminotransferase, CALCIUM ION
Authors:Peat, T.S, Newman, J.
Deposit date:2016-10-01
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Crystal structure of a putrescine aminotransferase from Pseudomonas sp. strain AAC.
Acta Crystallogr F Struct Biol Commun, 73, 2017
6ICC
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BU of 6icc by Molmil
The NZ-1 Fab complexed with the PDZ tandem fragment of A. aeolicus S2P homolog with the PA12 tag inserted between the residues 181 and 186
Descriptor: Heavy chain of antigen binding fragment, Fab of NZ-1, Light chain of antigen binding fragment, ...
Authors:Tamura, R, Oi, R, Kaneko, M.K, Kato, Y, Nogi, T.
Deposit date:2018-09-05
Release date:2019-02-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Application of the NZ-1 Fab as a crystallization chaperone for PA tag-inserted target proteins.
Protein Sci., 28, 2019
8TRL
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BU of 8trl by Molmil
T cell recognition of citrullinated alpha-enolase peptide presented by HLA-DR4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lim, J.J, Loh, T.J, Reid, H.H, Rossjohn, J.
Deposit date:2023-08-09
Release date:2024-07-31
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The molecular basis underlying T cell specificity towards citrullinated epitopes presented by HLA-DR4.
Nat Commun, 15, 2024
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:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inverting family GH156 sialidases define an unusual catalytic motif for glycosidase action.
Nat Commun, 10, 2019
8TMV
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BU of 8tmv by Molmil
HTLV-1 capsid protein N-terminal domain triclinic crystal form with phosphate ion
Descriptor: PHOSPHATE ION, capsid protein p24
Authors:Yu, R.J, Li, N, Jacques, D.A.
Deposit date:2023-07-31
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:HTLV-1 capsid protein N-terminal domain triclinic crystal form with phosphate ion
To Be Published
6ID6
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BU of 6id6 by Molmil
Crystal structure of Rv0731c from Mycobacterium tuberculosis at 1.63 Angstroms.
Descriptor: MAGNESIUM ION, Putative S-adenosyl-L-methionine-dependent methyltransferase Rv0731c, TRIETHYLENE GLYCOL
Authors:Bansia, H, Kalladi, S.M, Nagaraja, V, Ramakumar, S.
Deposit date:2018-09-08
Release date:2019-09-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal structure of Rv0731c from Mycobacterium tuberculosis.
To Be Published
6D63
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BU of 6d63 by Molmil
The structure of AtzH: a little known member of the atrazine breakdown pathway
Descriptor: 3-oxopentanedioic acid, atzH
Authors:Peat, T.S, Newman, J, Scott, C, Esquirol, L.
Deposit date:2018-04-19
Release date:2018-11-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A novel decarboxylating amidohydrolase involved in avoiding metabolic dead ends during cyanuric acid catabolism in Pseudomonas sp. strain ADP.
PLoS ONE, 13, 2018
5TEZ
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BU of 5tez by Molmil
TCR F50 recgonizing M1-HLA-A2
Descriptor: Beta-2-microglobulin, GLY-ILE-LEU-GLY-PHE-VAL-PHE-THR-LEU, HLA class I histocompatibility antigen, ...
Authors:Yang, X, Mariuzza, R.A.
Deposit date:2016-09-23
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for clonal diversity of the human T-cell response to a dominant influenza virus epitope.
J. Biol. Chem., 292, 2017
8TAV
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BU of 8tav by Molmil
FphH, Staphylococcus aureus fluorophosphonate-binding serine hydrolases H, boronic acid-based compound N34 bound
Descriptor: CALCIUM ION, Fluorophosphonate-binding serine hydrolase H, [5-(trifluoromethyl)thiophen-2-yl]boronic acid
Authors:Fellner, M.
Deposit date:2023-06-28
Release date:2024-07-17
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:FphH, Staphylococcus aureus fluorophosphonate-binding serine hydrolases H, boronic acid-based compound N34 bound
To Be Published

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PDB entries from 2024-08-28

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