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6F6E
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R2-like ligand-binding oxidase V72A mutant with anaerobically reconstituted Mn/Fe cofactor
Descriptor: FE (II) ION, MANGANESE (II) ION, PALMITIC ACID, ...
Authors:Griese, J.J, Hogbom, M.
Deposit date:2017-12-05
Release date:2018-07-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.627 Å)
Cite:Ether cross-link formation in the R2-like ligand-binding oxidase.
J. Biol. Inorg. Chem., 23, 2018
6F2L
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BU of 6f2l by Molmil
Crystal structure of the complex between PPARgamma LBD and the ligand LJ570: structure obtained from crystals of the apo-form soaked for 15 days.
Descriptor: (2S)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, M.
Deposit date:2017-11-24
Release date:2018-01-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of the First PPAR alpha / gamma Dual Agonist Able To Bind to Canonical and Alternative Sites of PPAR gamma and To Inhibit Its Cdk5-Mediated Phosphorylation.
J.Med.Chem., 61, 2018
6F3M
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BU of 6f3m by Molmil
Crystal structure of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa complexed with adenosine, K+ and Zn2+ cations
Descriptor: ADENOSINE, Adenosylhomocysteinase, GLYCEROL, ...
Authors:Czyrko, J, Brzezinski, K.
Deposit date:2017-11-28
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Metal-cation regulation of enzyme dynamics is a key factor influencing the activity of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa.
Sci Rep, 8, 2018
6FA5
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BU of 6fa5 by Molmil
CRYSTAL STRUCTURE OF THE DEAH-BOX HELICASE PRP2 IN COMPLEX WITH ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Hamann, F, Schmitt, A, Neumann, P, Ficner, R.
Deposit date:2017-12-15
Release date:2018-07-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Crystal structure of the spliceosomal DEAH-box ATPase Prp2.
Acta Crystallogr D Struct Biol, 74, 2018
6FCY
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BU of 6fcy by Molmil
Catalytic subunit HisG from Psychrobacter arcticus ATP phosphoribosyltransferase (HisZG ATPPRT) in complex with PRPP and ADP
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ADENOSINE-5'-DIPHOSPHATE, ATP phosphoribosyltransferase, ...
Authors:Alphey, M.S, Ge, Y, Fisher, G, Czekster, C.M, Naismith, J.H, da Silva, R.G.
Deposit date:2017-12-21
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Catalytic and Anticatalytic Snapshots of a Short-Form ATP Phosphoribosyltransferase
Acs Catalysis, 2018
6F6F
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BU of 6f6f by Molmil
R2-like ligand-binding oxidase V72I mutant with aerobically reconstituted Mn/Fe cofactor
Descriptor: FE (III) ION, MANGANESE (II) ION, MANGANESE (III) ION, ...
Authors:Griese, J.J, Hogbom, M.
Deposit date:2017-12-05
Release date:2018-07-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.788 Å)
Cite:Ether cross-link formation in the R2-like ligand-binding oxidase.
J. Biol. Inorg. Chem., 23, 2018
6F5X
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BU of 6f5x by Molmil
Crystal structure of the SYCP1 N-terminal head-to-head assembly in closed conformation
Descriptor: IODIDE ION, Synaptonemal complex protein 1, TRIETHYLENE GLYCOL
Authors:Ratcliff, M, Dunce, J.M, Davies, O.R.
Deposit date:2017-12-04
Release date:2018-06-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural basis of meiotic chromosome synapsis through SYCP1 self-assembly.
Nat. Struct. Mol. Biol., 25, 2018
6F65
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BU of 6f65 by Molmil
R2-like ligand-binding oxidase A171F mutant with aerobically reconstituted Mn/Fe cofactor
Descriptor: FE (III) ION, MANGANESE (II) ION, MANGANESE (III) ION, ...
Authors:Griese, J.J, Hogbom, M.
Deposit date:2017-12-05
Release date:2018-12-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.948 Å)
Cite:Assembly of a heterodinuclear Mn/Fe cofactor is coupled to tyrosine-valine ether cross-link formation in the R2-like ligand-binding oxidase.
J. Biol. Inorg. Chem., 24, 2019
6F7A
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BU of 6f7a by Molmil
Gloeobacter Ligand-gated Ion Channel (GLIC) closed state crystallized in an ultra-swollen lipidic mesophase
Descriptor: Proton-gated ion channel
Authors:Martiel, I, Zabara, A, Chong, J.Y.T, Stark, L, Cromer, B, Dummond, C.J, Mezzenga, R.
Deposit date:2017-12-07
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (6 Å)
Cite:Design of ultra-swollen lipidic mesophases for the crystallization of membrane proteins with large extracellular domains.
Nat Commun, 9, 2018
6FAX
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BU of 6fax by Molmil
Complex of Human CD40 Ectodomain with Lob 7.4 Fab
Descriptor: Lob 7.4 heavy chain, Lob 7.4 light chain, Tumor necrosis factor receptor superfamily member 5
Authors:Orr, C.M, Tews, I, Pearson, A.R.
Deposit date:2017-12-18
Release date:2018-02-07
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Complex Interplay between Epitope Specificity and Isotype Dictates the Biological Activity of Anti-human CD40 Antibodies.
Cancer Cell, 33, 2018
6FJL
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BU of 6fjl by Molmil
Structure of IbpS from Dickeya dadantii
Descriptor: ABC-type Fe3+ transport system, periplasmic component, ACETATE ION, ...
Authors:Gueguen-Chaignon, V, Condemine, G, Terradot, L.
Deposit date:2018-01-22
Release date:2019-02-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.70000041 Å)
Cite:A secreted metal-binding protein protects necrotrophic phytopathogens from reactive oxygen species.
Nat Commun, 10, 2019
8H0M
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BU of 8h0m by Molmil
Crystal structure of VioD
Descriptor: (2S)-2-ethylhexan-1-ol, FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, ...
Authors:Xu, M, Ran, T, Wang, W.
Deposit date:2022-09-29
Release date:2023-04-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Structural basis for substrate binding and catalytic mechanism of the key enzyme VioD in the violacein synthesis pathway.
Proteins, 91, 2023
6FD9
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BU of 6fd9 by Molmil
Catalytic subunit HisG from Psychrobacter arcticus ATP phosphoribosyltransferase (HisZG ATPPRT) in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, ATP phosphoribosyltransferase
Authors:Alphey, M.S, Ge, Y, Fisher, G, Czekster, C.M, Naismith, J.H, da Silva, R.G.
Deposit date:2017-12-22
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Catalytic and Anticatalytic Snapshots of a Short-Form ATP Phosphoribosyltransferase
Acs Catalysis, 2018
6FFN
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BU of 6ffn by Molmil
Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors
Descriptor: 3C protease, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Wiesmann, C, Farady, C.
Deposit date:2018-01-08
Release date:2018-02-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
6FEW
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BU of 6few by Molmil
DDR1, 2-[8-(1H-indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide, 1.440A, P1211, Rfree=24.1%
Descriptor: 2-[8-(2~{H}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{N}-methyl-ethanamide, Epithelial discoidin domain-containing receptor 1
Authors:Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G.
Deposit date:2018-01-03
Release date:2018-11-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
8HL6
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BU of 8hl6 by Molmil
Crystal structure of human valosin-containing protein methyltransferase
Descriptor: Protein N-lysine methyltransferase METTL21D, S-ADENOSYLMETHIONINE
Authors:Kang, W, Yang, J.K.
Deposit date:2022-11-29
Release date:2023-07-12
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for recognition and methylation of p97 by METTL21D, a valosin-containing protein lysine methyltransferase.
Iscience, 26, 2023
5QCT
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BU of 5qct by Molmil
Crystal structure of BACE complex with BMC001
Descriptor: (2R,4S)-N-butyl-4-[(4S,6R)-16-ethoxy-12-ethyl-6-methyl-2,13-dioxo-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-trien-4-yl]-4-hydroxy-2-methylbutanamide, Beta-secretase 1, PHOSPHATE ION
Authors:Rondeau, J.M, Shao, C, Yang, H, Burley, S.K.
Deposit date:2017-12-01
Release date:2020-06-03
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
8HL7
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BU of 8hl7 by Molmil
Crystal structure of p97 N/D1 in complex with a valosin-containing protein methyltransferase
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Kang, W, Yang, J.K.
Deposit date:2022-11-29
Release date:2023-07-12
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for recognition and methylation of p97 by METTL21D, a valosin-containing protein lysine methyltransferase.
Iscience, 26, 2023
6F3Y
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BU of 6f3y by Molmil
Backbone structure of Des-Arg10-Kallidin (DAKD) peptide bound to human Bradykinin 1 Receptor (B1R) determined by DNP-enhanced MAS SSNMR
Descriptor: Kininogen-1
Authors:Mao, J, Kuenze, G, Joedicke, L, Meiler, J, Michel, H, Glaubitz, C.
Deposit date:2017-11-29
Release date:2018-01-10
Last modified:2024-06-19
Method:SOLID-STATE NMR
Cite:The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors.
Nat. Chem. Biol., 14, 2018
6F7E
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BU of 6f7e by Molmil
NMR solution structure of the cellulose-binding family 2 carbohydrate binding domain (CBM2) from ScLPMO10C
Descriptor: Putative secreted cellulose binding protein
Authors:Courtade, G, Forsberg, Z, Eijsink, V, Aachmann, F.
Deposit date:2017-12-08
Release date:2018-07-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The carbohydrate-binding module and linker of a modular lytic polysaccharide monooxygenase promote localized cellulose oxidation.
J.Biol.Chem., 293, 2018
6FQD
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BU of 6fqd by Molmil
Escherichia Coli Signal Recognition Particle Receptor FtsY NGdN1
Descriptor: GUANOSINE-5'-DIPHOSPHATE, POTASSIUM ION, Signal recognition particle receptor FtsY
Authors:Mrusek, D.
Deposit date:2018-02-13
Release date:2018-05-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.10000563 Å)
Cite:Co-translational Folding Intermediate Dictates Membrane Targeting of the Signal Recognition Particle Receptor.
J. Mol. Biol., 430, 2018
6FNT
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BU of 6fnt by Molmil
Ergothioneine-biosynthetic methyltransferase EgtD in complex with pyrrolidinohistidine
Descriptor: Histidine N-alpha-methyltransferase, Pyrrolidinohistidine
Authors:Vit, A, Blankenfeldt, W, Seebeck, F.P.
Deposit date:2018-02-05
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inhibition and Regulation of the Ergothioneine Biosynthetic Methyltransferase EgtD.
ACS Chem. Biol., 13, 2018
7GQT
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BU of 7gqt by Molmil
Crystal Structure of Werner helicase fragment 517-945 in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, MAGNESIUM ION, ...
Authors:Classen, M, Benz, J, Brugger, D, Rudolph, M.G.
Deposit date:2023-10-19
Release date:2024-05-01
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Nature, 629, 2024
6FY8
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BU of 6fy8 by Molmil
The crystal structure of EncM bromide soak
Descriptor: BROMIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Putative FAD-dependent oxygenase EncM
Authors:Saleem-Batcha, R, Teufel, R.
Deposit date:2018-03-11
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Enzymatic control of dioxygen binding and functionalization of the flavin cofactor.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6FYA
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BU of 6fya by Molmil
The crystal structure of EncM under anaerobic conditions
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Putative FAD-dependent oxygenase EncM
Authors:Saleem-Batcha, R, Teufel, R.
Deposit date:2018-03-11
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Enzymatic control of dioxygen binding and functionalization of the flavin cofactor.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018

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