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7QOI
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BU of 7qoi by Molmil
Unique vertex of the phicrAss001 virion
Descriptor: Auxiliary capsid protein gp36, Cargo protein 1 gp45, Head fiber trimer protein gp21, ...
Authors:Bayfield, O.W, Shkoporov, A.N, Yutin, N, Khokhlova, E.V, Smith, J.L.R, Hawkins, D.E.D.P, Koonin, E.V, Hill, C, Antson, A.A.
Deposit date:2021-12-24
Release date:2023-03-29
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:Structural atlas of a human gut crassvirus.
Nature, 617, 2023
6QJC
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BU of 6qjc by Molmil
Dimethyl disulfide inhibited sulfur oxygenase reductase
Descriptor: FE (III) ION, Sulfur oxygenase/reductase
Authors:Frazao, C, Klezin, A, Poell, U.
Deposit date:2019-01-24
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Multiple sulfane modifications in active-site cysteine thiols of two sulfur oxygenase reductases and analysis of substrate/product channels
To Be Published
7QNR
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BU of 7qnr by Molmil
SMYD3 in complex with fragment FL01791
Descriptor: 3-propan-2-yl-1,2,4-thiadiazol-5-amine, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ...
Authors:Lund, B.A, Cederfelt, D, Dobritzsch, D.
Deposit date:2021-12-22
Release date:2023-04-05
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening
Rsc Med Chem, 2024
6QL0
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BU of 6ql0 by Molmil
Cationic Trypsin in Complex with a D-Phe-Pro-p-aminopyridine derivative
Descriptor: (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(6-azanylpyridin-3-yl)methyl]pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Ngo, K, Heine, A, Klebe, G.
Deposit date:2019-01-31
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.634 Å)
Cite:Thrombin in Complex with a D-Phe-Pro-diaminopyridine derivative
To Be Published
6QJV
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BU of 6qjv by Molmil
R2-like ligand-binding oxidase E69D 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:2019-01-25
Release date:2020-02-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.905 Å)
Cite:Key Structural Motifs Balance Metal Binding and Oxidative Reactivity in a Heterobimetallic Mn/Fe Protein.
J.Am.Chem.Soc., 142, 2020
6QL9
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BU of 6ql9 by Molmil
Structure of Fatty acid synthase complex from Saccharomyces cerevisiae at 2.9 Angstrom
Descriptor: 1,2-ETHANEDIOL, 4'-PHOSPHOPANTETHEINE, ACETATE ION, ...
Authors:Singh, K, Graf, B, Linden, A, Sautner, V, Urlaub, H, Tittmann, K, Stark, H, Chari, A.
Deposit date:2019-01-31
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Discovery of a Regulatory Subunit of the Yeast Fatty Acid Synthase.
Cell, 180, 2020
7QRI
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BU of 7qri by Molmil
Regulatory domain dimer of tryptophan hydroxylase 2 in complex with L-Phe
Descriptor: PHENYLALANINE, Tryptophan 5-hydroxylase 2
Authors:Vedel, I.M, Prestel, A, Harris, P, Peters, G.H.J, Kragelund, B.B.
Deposit date:2022-01-11
Release date:2023-05-03
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural characterization of human tryptophan hydroxylase 2 reveals that L-Phe is superior to L-Trp as the regulatory domain ligand.
Structure, 31, 2023
7QBJ
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BU of 7qbj by Molmil
bacterial IMPDH chimera
Descriptor: Inosine-5'-monophosphate dehydrogenase
Authors:Labesse, G, Gelin, M, Munier-Lehmann, H, Gedeon, A, Haouz, A.
Deposit date:2021-11-19
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Insight into the role of the Bateman domain at the molecular and physiological levels through engineered IMP dehydrogenases.
Protein Sci., 32, 2023
6QLH
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BU of 6qlh by Molmil
Crystal structure of UbiX in complex with reduced FMN and isopentyl monophosphate
Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Flavin prenyltransferase UbiX, Isopentenyl phosphate, ...
Authors:Marshall, S.A, Leys, D.
Deposit date:2019-02-01
Release date:2019-06-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
6QLI
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BU of 6qli by Molmil
Crystal structure of F181Q UbiX in complex with FMN and dimethylallyl monophosphate
Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Dimethylallyl monophosphate, Flavin prenyltransferase UbiX, ...
Authors:Marshall, S.A, Leys, D.
Deposit date:2019-02-01
Release date:2019-06-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
6Q32
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BU of 6q32 by Molmil
The structure of the Mo-insertase domain Cnx1E (variant S269DD274S) from Arabidopsis thaliana in complex with Moco-AMP
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Moco-AMP, ...
Authors:Krausze, J.
Deposit date:2018-12-03
Release date:2021-02-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Mechanism of molybdate insertion into pterin-based molybdenum cofactors.
Nat.Chem., 13, 2021
6PTD
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BU of 6ptd by Molmil
PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C MUTANT H32L
Descriptor: PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C
Authors:Heinz, D.W.
Deposit date:1997-07-18
Release date:1998-01-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Probing the roles of active site residues in phosphatidylinositol-specific phospholipase C from Bacillus cereus by site-directed mutagenesis.
Biochemistry, 36, 1997
7QS6
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BU of 7qs6 by Molmil
Solution structure of thanatin-like derivative 7 in complex with E.coli LptA
Descriptor: Lipopolysaccharide export system protein LptA, Thanatin-like derivative
Authors:Moehle, K, Zerbe, O.
Deposit date:2022-01-12
Release date:2023-05-10
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Peptidomimetic antibiotics disrupt the lipopolysaccharide transport bridge of drug-resistant Enterobacteriaceae.
Sci Adv, 9, 2023
6QBI
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BU of 6qbi by Molmil
NMR structure of BB_P28, Borrelia burgdorferi outer surface lipoprotein
Descriptor: Surface protein, mlp lipoprotein family
Authors:Fridmanis, J, Otikovs, M, Brangulis, K, Jaudzems, K.
Deposit date:2018-12-21
Release date:2020-01-29
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution NMR structure of Borrelia burgdorferi outer surface lipoprotein BBP28, a member of the mlp protein family.
Proteins, 2020
6QAM
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BU of 6qam by Molmil
Solution NMR structure of outer membrane protein AlkL
Descriptor: Outer membrane protein AlkL
Authors:Schubeis, T, Andreas, L.B, Pintacuda, G.
Deposit date:2018-12-19
Release date:2020-01-15
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:A beta-barrel for oil transport through lipid membranes: Dynamic NMR structures of AlkL.
Proc.Natl.Acad.Sci.USA, 117, 2020
7QAB
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BU of 7qab by Molmil
NMR Solution Structure of mussel adhesive protein Pvfp-5b
Descriptor: PVFP-5
Authors:Morando, M.A, Venturella, F, Pastore, A, Alfano, C.
Deposit date:2021-11-16
Release date:2022-08-03
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure of recombinant Pvfp-5 beta reveals insights into mussel adhesion.
Commun Biol, 5, 2022
6QKQ
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BU of 6qkq by Molmil
NMR solution structure of LSR2-T112D binding domain.
Descriptor: Nucleoid-associated protein Lsr2
Authors:Barthe, P, Cohen-Gonsaud, M, Mukamolova, G.V.
Deposit date:2019-01-30
Release date:2019-07-17
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Protein kinase B controls Mycobacterium tuberculosis growth via phosphorylation of the transcriptional regulator Lsr2 at threonine 112.
Mol.Microbiol., 112, 2019
7QCB
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BU of 7qcb by Molmil
Williams-Beuren syndrome related methyltransferase WBSCR27 in complex with SAH
Descriptor: Methyltransferase-like 27, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Polshakov, V.I, Mariasina, S.S, Chang, C.-F, Efimov, S.V.
Deposit date:2021-11-23
Release date:2021-12-29
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Williams-Beuren Syndrome Related Methyltransferase WBSCR27: From Structure to Possible Function.
Front Mol Biosci, 9, 2022
6QKP
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BU of 6qkp by Molmil
NMR solution structure of LSR2 binding domain.
Descriptor: Nucleoid-associated protein Lsr2
Authors:Barthe, P, Cohen-Gonsaud, M, Mukamolova, G.V.
Deposit date:2019-01-30
Release date:2019-07-17
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Protein kinase B controls Mycobacterium tuberculosis growth via phosphorylation of the transcriptional regulator Lsr2 at threonine 112.
Mol.Microbiol., 112, 2019
7Q8E
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BU of 7q8e by Molmil
Crystal Structure of the MurT-GatD Enzyme Complex from Staphylococcus aureus COL strain
Descriptor: CHLORIDE ION, Lipid II isoglutaminyl synthase (glutamine-hydrolyzing) subunit GatD, Lipid II isoglutaminyl synthase (glutamine-hydrolyzing) subunit MurT, ...
Authors:Leisico, F, Romao, M.J, Santos-Silva, T.
Deposit date:2021-11-11
Release date:2023-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.90001726 Å)
Cite:Crystal Structure of the MurT-GatD Enzyme Complex from Staphylococcus aureus COL strain
To Be Published
6Q2Z
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BU of 6q2z by Molmil
NMR solution structure of the HVO_2922 protein from Haloferax volcanii
Descriptor: UPF0339 family protein
Authors:Kubatova, N, Jonker, H.R.A, Saxena, K, Richter, C, Marchfelder, A, Schwalbe, H.
Deposit date:2018-12-03
Release date:2019-06-12
Last modified:2024-07-03
Method:SOLUTION NMR
Cite:Solution Structure and Dynamics of the Small Protein HVO_2922 from Haloferax volcanii.
Chembiochem, 21, 2020
6QEB
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BU of 6qeb by Molmil
Assessment of a large enzyme-drug complex by proton-detected solid-state NMR without deuteration
Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION
Authors:Vasa, S.K.
Deposit date:2019-01-07
Release date:2019-02-06
Last modified:2024-06-19
Method:SOLID-STATE NMR
Cite:Assessment of a Large Enzyme-Drug Complex by Proton-Detected Solid-State NMR Spectroscopy without Deuteration.
Angew.Chem.Int.Ed.Engl., 58, 2019
7QA5
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BU of 7qa5 by Molmil
Solution structure of the C terminal domain of MgtC (PA4635) from Pseudomonas aeruginosa
Descriptor: Protein MgtC
Authors:Barthe, P, Cohen-Gonsaud, M.
Deposit date:2021-11-16
Release date:2022-05-04
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Solution structure of the C terminal domain of MgtC (PA4635) from Pseudomonas aeruginosa
To Be Published
6KBQ
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BU of 6kbq by Molmil
Crystal Structure of Lectin from Pleurotus ostreatus in complex with Glycerol
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ...
Authors:Vajravijayan, S, Pletnev, S, Luo, Z, Gunasekaran, K, Nandhagopal, N.
Deposit date:2019-06-26
Release date:2020-08-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Crystallographic and calorimetric analysis on Pleurotus ostreatus lectin and its sugar complexes - promiscuous binding driven by geometry.
Int.J.Biol.Macromol., 152, 2020
6PV2
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BU of 6pv2 by Molmil
Backbone-modified variant of zinc finger 2 from the transcription factor Sp1 DNA binding domain: Orn in the metal-binding turn
Descriptor: Transcription factor Sp1, ZINC ION
Authors:Rao, S.R, Horne, W.S.
Deposit date:2019-07-19
Release date:2020-06-24
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Proteomimetic Zinc Finger Domains with Modified Metal-binding beta-Turns.
Pept Sci (Hoboken), 112, 2020

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