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4UPE
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BU of 4upe by Molmil
Structure of the unready Ni-A state of the S499C mutant of D. fructosovorans NiFe-hydrogenase
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CARBONMONOXIDE-(DICYANO) IRON, ...
Authors:Volbeda, A, Martin, L, Barbier, E, Gutierrez-Sanz, O, DeLacey, A.L, Liebgott, P.P, Dementin, S, Rousset, M, Fontecilla-Camps, J.C.
Deposit date:2014-06-16
Release date:2014-10-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic studies of [NiFe]-hydrogenase mutants: towards consensus structures for the elusive unready oxidized states.
J. Biol. Inorg. Chem., 20, 2015
5WNW
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BU of 5wnw by Molmil
Chaperone Spy bound to Im7 6-45 ensemble
Descriptor: CHLORIDE ION, Colicin-E7 immunity protein, IMIDAZOLE, ...
Authors:Horowitz, S, Salmon, L, Koldewey, P, Ahlstrom, L.S, Martin, R, Xu, Q, Afonine, P.V, Trievel, R.C, Brooks, C.L, Bardwell, J.C.A.
Deposit date:2017-08-01
Release date:2017-08-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Visualizing chaperone-assisted protein folding.
Nat. Struct. Mol. Biol., 23, 2016
4CI4
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BU of 4ci4 by Molmil
Structural basis for GL479 a dual Peroxisome Proliferator-Activated Receptor alpha agonist
Descriptor: 2-methyl-2-[4-[2-[4-[(E)-phenyldiazenyl]phenoxy]ethyl]phenoxy]propanoic acid, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA
Authors:Santos, J.C, Bernardes, A, Polikarpov, I.
Deposit date:2013-12-05
Release date:2014-12-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Different binding and recognition modes of GL479, a dual agonist of Peroxisome Proliferator-Activated Receptor alpha / gamma.
J. Struct. Biol., 191, 2015
6F48
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BU of 6f48 by Molmil
Structure of quinolinate synthase with reaction intermediates X and Y
Descriptor: 2-imino,3-carboxy,5-hydroxy,6-oxo hexanoic acid, 5-hydroxy,-4,5-dihydroquinolinate, CHLORIDE ION, ...
Authors:Volbeda, A, Fontecilla-Camps, J.C.
Deposit date:2017-11-29
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystallographic Trapping of Reaction Intermediates in Quinolinic Acid Synthesis by NadA.
ACS Chem. Biol., 13, 2018
6F4L
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BU of 6f4l by Molmil
Structure of quinolinate synthase with inhibitor-derived quinolinate
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, IRON/SULFUR CLUSTER, ...
Authors:Volbeda, A, Fontecilla-Camps, J.C.
Deposit date:2017-11-29
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic Trapping of Reaction Intermediates in Quinolinic Acid Synthesis by NadA.
ACS Chem. Biol., 13, 2018
7NVH
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BU of 7nvh by Molmil
Cryo-EM structure of the mycolic acid transporter MmpL3 from M. tuberculosis
Descriptor: Lauryl Maltose Neopentyl Glycol, Trehalose monomycolate exporter MmpL3
Authors:Adams, O, Deme, J.C, Parker, J.L, Lea, S.M, Newstead, S.
Deposit date:2021-03-15
Release date:2021-06-16
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM structure and resistance landscape of M. tuberculosis MmpL3: An emergent therapeutic target.
Structure, 29, 2021
7NWI
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BU of 7nwi by Molmil
Mammalian pre-termination 80S ribosome with Empty-A site bound by Blasticidin S
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA+BlaS, 40S ribosomal protein S11, ...
Authors:Powers, K.T, Yadav, S.K.N, Bufton, J.C, Schaffitzel, C.
Deposit date:2021-03-16
Release date:2021-07-07
Last modified:2023-01-11
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Blasticidin S inhibits mammalian translation and enhances production of protein encoded by nonsense mRNA.
Nucleic Acids Res., 49, 2021
7NWG
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BU of 7nwg by Molmil
Mammalian pre-termination 80S ribosome with Hybrid P/E- and A/P-site tRNA's bound by Blasticidin S.
Descriptor: 18S Ribosomal RNA, 28S Ribosomal RNA, 40S ribosomal protein S10, ...
Authors:Powers, K.T, Yadav, S.K.N, Bufton, J.C, Schaffitzel, C.
Deposit date:2021-03-16
Release date:2021-07-07
Last modified:2023-01-11
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Blasticidin S inhibits mammalian translation and enhances production of protein encoded by nonsense mRNA.
Nucleic Acids Res., 49, 2021
3KL3
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BU of 3kl3 by Molmil
Crystal structure of Ligand bound XynC
Descriptor: D-HISTIDINE, Glucuronoxylanase xynC, TETRAETHYLENE GLYCOL, ...
Authors:St John, F.J, Hurlbert, J.C, Pozharski, E.
Deposit date:2009-11-06
Release date:2010-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Ligand bound structures of a glycosyl hydrolase family 30 glucuronoxylan xylanohydrolase.
J.Mol.Biol., 407, 2011
1QDD
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BU of 1qdd by Molmil
CRYSTAL STRUCTURE OF HUMAN LITHOSTATHINE TO 1.3 A RESOLUTION
Descriptor: LITHOSTATHINE, beta-D-galactopyranose-(1-3)-[N-acetyl-alpha-neuraminic acid-(2-6)]2-acetamido-2-deoxy-alpha-D-glucopyranose
Authors:Gerbaud, V, Pignol, D, Loret, E, Bertrand, J.A, Berland, Y, Fontecilla-Camps, J.C, Canselier, J.P, Gabas, N, Verdier, J.M.
Deposit date:1999-05-20
Release date:1999-05-28
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Mechanism of calcite crystal growth inhibition by the N-terminal undecapeptide of lithostathine.
J.Biol.Chem., 275, 2000
6HVK
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BU of 6hvk by Molmil
Pepducin UT-Pep2 a biased allosteric agonist of Urotensin-II receptor
Descriptor: Urotensin-2 receptor
Authors:Carotenuto, A, Hoang, T.A, Nassour, H, Martin, R.D, Billard, E, Myriam, L, Novellino, E, Tanny, J.C, Fournier, A, Hebert, T.E, Chatenet, D.
Deposit date:2018-10-11
Release date:2019-10-30
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Lipidated peptides derived from intracellular loops 2 and 3 of the urotensin II receptor act as biased allosteric ligands.
J.Biol.Chem., 297, 2021
5MGZ
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BU of 5mgz by Molmil
Streptomyces Spheroides NovO (8-demethylnovbiocic acid methyltransferase) with SAH
Descriptor: 8-demethylnovobiocic acid C(8)-methyltransferase, ACETATE ION, GLYCEROL, ...
Authors:Chung, C.-W, Mosley, J, Sadler, J.C.
Deposit date:2016-11-22
Release date:2017-01-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Functional Basis of C-Methylation of Coumarin Scaffolds by NovO.
ACS Chem. Biol., 12, 2017
4URH
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BU of 4urh by Molmil
High-resolution structure of partially oxidized D. fructosovorans NiFe-hydrogenase
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ...
Authors:Volbeda, A, Martin, L, Barbier, E, Gutierrez-Sanz, O, DeLacey, A.L, Liebgott, P.P, Dementin, S, Rousset, M, Fontecilla-Camps, J.C.
Deposit date:2014-06-30
Release date:2014-10-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Crystallographic studies of [NiFe]-hydrogenase mutants: towards consensus structures for the elusive unready oxidized states.
J. Biol. Inorg. Chem., 20, 2015
8RAT
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BU of 8rat by Molmil
EFFECTS OF TEMPERATURE ON PROTEIN STRUCTURE AND DYNAMICS: X-RAY CRYSTALLOGRAPHIC STUDIES OF THE PROTEIN RIBONUCLEASE-A AT NINE DIFFERENT TEMPERATURES FROM 98 TO 320 K
Descriptor: RIBONUCLEASE A
Authors:Tiltonjunior, R.F, Dewan, J.C, Petsko, G.A.
Deposit date:1991-08-13
Release date:1993-07-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Effects of temperature on protein structure and dynamics: X-ray crystallographic studies of the protein ribonuclease-A at nine different temperatures from 98 to 320 K.
Biochemistry, 31, 1992
8QUS
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BU of 8qus by Molmil
Crystal structure of the Plasmodium vivax Apical membrane antigen (AMA1) in complex with single domain i-body WD34
Descriptor: Apical merozoite antigen 1, single domain i-body WD34
Authors:Maddumage, J.C, Kvansakul, M.
Deposit date:2023-10-17
Release date:2024-07-03
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:A broadly cross-reactive i-body to AMA1 potently inhibits blood and liver stages of Plasmodium parasites.
Nat Commun, 15, 2024
8QU7
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BU of 8qu7 by Molmil
Crystal structure of the Plasmodium falciparum Apical membrane antigen (AMA1) in complex with single domain i-body WD34
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Apical membrane antigen 1, ...
Authors:Maddumage, J.C, Kvansakul, M.
Deposit date:2023-10-14
Release date:2024-07-03
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A broadly cross-reactive i-body to AMA1 potently inhibits blood and liver stages of Plasmodium parasites.
Nat Commun, 15, 2024
3KGG
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BU of 3kgg by Molmil
X-ray structure of perdeuterated diisopropyl fluorophosphatase (DFPase): Perdeuteration of proteins for neutron diffraction
Descriptor: CALCIUM ION, Diisopropyl-fluorophosphatase
Authors:Blum, M.-M, Tomanicek, S.J, John, H, Hanson, B.L, terjans, H.R, Schoenborn, B.P, Langan, P, Chen, J.C.-H.
Deposit date:2009-10-29
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray structure of perdeuterated diisopropyl fluorophosphatase (DFPase): perdeuteration of proteins for neutron diffraction.
Acta Crystallogr.,Sect.F, 66, 2010
6Y42
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BU of 6y42 by Molmil
Crystal Structure of RsrR complexed to a 39 basepair DNA fragment of the rsrR promoter
Descriptor: DNA (39-MER), FE2/S2 (INORGANIC) CLUSTER, Rrf2 family transcriptional regulator
Authors:Volbeda, A, Fontecilla-Camps, J.C.
Deposit date:2020-02-19
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:Electron and Proton Transfers Modulate DNA Binding by the Transcription Regulator RsrR.
J.Am.Chem.Soc., 142, 2020
6Y45
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BU of 6y45 by Molmil
Crystal Structure of the H33A variant of RsrR
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Rohac, R, Volbeda, A, Fontecilla-Camps, J.C.
Deposit date:2020-02-19
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Electron and Proton Transfers Modulate DNA Binding by the Transcription Regulator RsrR.
J.Am.Chem.Soc., 142, 2020
6MDR
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BU of 6mdr by Molmil
Cryo-EM structure of the Ceru+32/GFP-17 protomer
Descriptor: Ceru+32, GFP-17
Authors:Simon, A.J, Zhou, Y, Ramasubramani, V, Glaser, J, Pothukuchy, A, Golihar, J, Gerberich, J.C, Leggere, J.C, Morrow, B.R, Jung, C, Glotzer, S.C, Taylor, D.W, Ellington, A.D.
Deposit date:2018-09-05
Release date:2019-01-23
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Supercharging enables organized assembly of synthetic biomolecules.
Nat Chem, 11, 2019
6EA5
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BU of 6ea5 by Molmil
Structure of BDBV GPcl in complex with the pan-ebolavirus mAb ADI-15878
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADI-15878 Fab Heavy Chain, ...
Authors:King, L.B, West, B.R, Moyer, C.L, Fusco, M.L, Milligan, J.C, Hui, S, Saphire, E.O.
Deposit date:2018-08-02
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (4.75 Å)
Cite:Structural Basis of Pan-Ebolavirus Neutralization by a Human Antibody against a Conserved, yet Cryptic Epitope.
MBio, 9, 2018
6FBK
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BU of 6fbk by Molmil
Crystal structure of the human WNK2 CCT-like 1 domain in complex with a WNK1 RFXV peptide
Descriptor: Serine/threonine-protein kinase WNK1, Serine/threonine-protein kinase WNK2
Authors:Pinkas, D.M, Bufton, J.C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
Deposit date:2017-12-19
Release date:2018-01-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.743 Å)
Cite:Crystal structure of the human WNK2 CCT-like 1 domain in complex with a WNK1 RFXV peptide
To Be Published
6I0P
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BU of 6i0p by Molmil
Structure of quinolinate synthase in complex with 6-mercaptopyridine-2,3-dicarboxylic acid
Descriptor: 6-mercaptopyridine-2,3-dicarboxylic acid, CHLORIDE ION, IRON/SULFUR CLUSTER, ...
Authors:Volbeda, A, Fontecilla-Camps, J.C.
Deposit date:2018-10-26
Release date:2019-03-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design of specific inhibitors of quinolinate synthase based on [4Fe-4S] cluster coordination.
Chem.Commun.(Camb.), 55, 2019
6HYS
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BU of 6hys by Molmil
Crystal structure of DHX8 helicase domain bound to ADP at 2.6 angstrom
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Felisberto-Rodrigues, C, Thomas, J.C, McAndrew, P.C, Le Bihan, Y.V, Burke, R, Workman, P, van Montfort, R.L.M.
Deposit date:2018-10-22
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and functional characterisation of human RNA helicase DHX8 provides insights into the mechanism of RNA-stimulated ADP release.
Biochem.J., 476, 2019
7B0C
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BU of 7b0c by Molmil
[4Fe-4S]-NsrR complexed to 23-bp HmpA1 operator fragment
Descriptor: DNA (5'-D(P*AP*AP*CP*AP*CP*GP*AP*AP*TP*AP*TP*CP*AP*TP*CP*TP*AP*CP*CP*AP*AP*TP*T)-3'), DNA (5'-D(P*AP*AP*TP*TP*GP*GP*TP*AP*GP*AP*TP*GP*AP*TP*AP*TP*TP*CP*GP*TP*GP*TP*T)-3'), HTH-type transcriptional repressor NsrR, ...
Authors:Rohac, R, Fontecilla-Camps, J.C, Volbeda, A.
Deposit date:2020-11-19
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural determinants of DNA recognition by the NO sensor NsrR and related Rrf2-type [FeS]-transcription factors.
Commun Biol, 5, 2022

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