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8PIY
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BU of 8piy by Molmil
NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with (2E)-3-(1H-indol-2-yl)prop-2-enoic acid
Descriptor: (~{E})-3-(1~{H}-indol-3-yl)prop-2-enoic acid, RASK GTPase (Fragment)
Authors:Buetikofer, M, Orts, J.
Deposit date:2023-06-22
Release date:2024-07-10
Last modified:2025-05-07
Method:SOLUTION NMR
Cite:NMR2-Based Drug Discovery Pipeline Presented on the Oncogenic Protein KRAS.
J.Am.Chem.Soc., 147, 2025
6CFJ
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BU of 6cfj by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with histidyl-CAM and bound to mRNA and A-, P-, and E-site tRNAs at 2.8A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Tereshchenkov, A.G, Dobosz-Bartoszek, M, Osterman, I.A, Marks, J, Sergeeva, V.A, Kasatsky, P, Komarova, E.S, Stavrianidi, A.N, Rodin, I.A, Konevega, A.L, Sergiev, P.V, Sumbatyan, N.V, Mankin, A.S, Bogdanov, A.A, Polikanov, Y.S.
Deposit date:2018-02-15
Release date:2018-03-07
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding and Action of Amino Acid Analogs of Chloramphenicol upon the Bacterial Ribosome.
J. Mol. Biol., 430, 2018
6ISE
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BU of 6ise by Molmil
Crystal structure of AMPPNP bound CK2 alpha from C. neoformans
Descriptor: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Cho, H.S.
Deposit date:2018-11-16
Release date:2019-11-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of AMPPNP bound CK2 alpha from C. neoformans
To be published
6CFL
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BU of 6cfl by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with lysyl-CAM and bound to protein Y (YfiA) at 2.6A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ...
Authors:Tereshchenkov, A.G, Dobosz-Bartoszek, M, Osterman, I.A, Marks, J, Sergeeva, V.A, Kasatsky, P, Komarova, E.S, Stavrianidi, A.N, Rodin, I.A, Konevega, A.L, Sergiev, P.V, Sumbatyan, N.V, Mankin, A.S, Bogdanov, A.A, Polikanov, Y.S.
Deposit date:2018-02-15
Release date:2018-03-07
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Binding and Action of Amino Acid Analogs of Chloramphenicol upon the Bacterial Ribosome.
J. Mol. Biol., 430, 2018
6CFK
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BU of 6cfk by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with D-histidyl-CAM and bound to protein Y (YfiA) at 2.7A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ...
Authors:Tereshchenkov, A.G, Dobosz-Bartoszek, M, Osterman, I.A, Marks, J, Sergeeva, V.A, Kasatsky, P, Komarova, E.S, Stavrianidi, A.N, Rodin, I.A, Konevega, A.L, Sergiev, P.V, Sumbatyan, N.V, Mankin, A.S, Bogdanov, A.A, Polikanov, Y.S.
Deposit date:2018-02-15
Release date:2018-03-07
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Binding and Action of Amino Acid Analogs of Chloramphenicol upon the Bacterial Ribosome.
J. Mol. Biol., 430, 2018
6CXN
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BU of 6cxn by Molmil
HRFLRH peptide NMR structure
Descriptor: Hexapeptide HRFLRH
Authors:Pires, D.A.T, Arake, L.M.R, Silva, L.P, Lopez-Castillo, A, Prates, M.V, Nascimento, C.J, Bloch Jr, C.
Deposit date:2018-04-03
Release date:2018-07-04
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:A previously undescribed hexapeptide His-Arg-Phe-Leu-Arg-His-NH2from amphibian skin secretion shows CO2and metal biding affinities.
Peptides, 106, 2018
4W78
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BU of 4w78 by Molmil
Crystal structure of the ChsH1-ChsH2 complex from Mycobacterium tuberculosis
Descriptor: CADMIUM ION, CALCIUM ION, CHLORIDE ION, ...
Authors:Guja, K.E, Yang, M, Sampson, N, Garcia-Diaz, M.
Deposit date:2014-08-21
Release date:2014-10-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.541 Å)
Cite:A Distinct MaoC-like Enoyl-CoA Hydratase Architecture Mediates Cholesterol Catabolism in Mycobacterium tuberculosis.
Acs Chem.Biol., 9, 2014
8AU4
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BU of 8au4 by Molmil
Structural insights reveal a heterotetramer between oncogenic K-Ras4BG12V and Rgl2, a RalA/B activator
Descriptor: Ral guanine nucleotide dissociation stimulator-like 2
Authors:Tariq, M, Ikeya, T, Togashi, N, Fairall, L, Alejo, C.B, Kamei, S, Alonso, B.R, Campillo, M.A.M, Hudson, A, Ito, Y, Schwabe, J, Dominguez, C, Tanaka, K.
Deposit date:2022-08-25
Release date:2023-08-23
Last modified:2023-10-25
Method:SOLUTION NMR
Cite:Structural insights into the complex of oncogenic KRas4B G12V and Rgl2, a RalA/B activator.
Life Sci Alliance, 7, 2024
6RWY
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BU of 6rwy by Molmil
Export apparatus core and inner rod of the Shigella type 3 secretion system
Descriptor: Inner rod protein, Protein MxiH, Surface presentation of antigens protein SpaP, ...
Authors:Lunelli, M, Kamprad, A.
Deposit date:2019-06-06
Release date:2020-02-12
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (5.11 Å)
Cite:Cryo-EM structure of the Shigella type III needle complex.
Plos Pathog., 16, 2020
6ZZ6
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BU of 6zz6 by Molmil
Cryo-EM structure of S.cerevisiae cohesin-Scc2-DNA complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA (34-MER), MAGNESIUM ION, ...
Authors:Lee, B.-G, Gonzalez Llamazares, A, Collier, J, Nasmyth, K.A, Lowe, J.
Deposit date:2020-08-04
Release date:2020-09-30
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Transport of DNA within cohesin involves clamping on top of engaged heads by Scc2 and entrapment within the ring by Scc3.
Elife, 9, 2020
6ZW8
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BU of 6zw8 by Molmil
Isopenicillin N synthase in complex with Cd and ACV.
Descriptor: CADMIUM ION, GLYCEROL, Isopenicillin N synthase, ...
Authors:Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
Deposit date:2020-07-27
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
1EQ0
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BU of 1eq0 by Molmil
SOLUTION STRUCTURE OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE COMPLEXED WITH MGAMPPCP
Descriptor: 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE
Authors:Shi, G, Yan, H.
Deposit date:2000-03-30
Release date:2001-11-07
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Unusual conformational changes in 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase as revealed by X-ray crystallography and NMR.
J.Biol.Chem., 276, 2001
4V96
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BU of 4v96 by Molmil
The structure of a 1.8 MDa viral genome injection device suggests alternative infection mechanisms
Descriptor: BPP, ORF46, ORF48
Authors:Veesler, D, Spinelli, S, Mahony, J, Lichiere, J, Blangy, S, Bricogne, G, Legrand, P, Ortiz-Lombardia, M, Campanacci, V, van Sinderen, D, Cambillau, C.
Deposit date:2012-02-01
Release date:2014-07-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structure of the phage TP901-1 1.8 MDa baseplate suggests an alternative host adhesion mechanism.
Proc.Natl.Acad.Sci.USA, 109, 2012
1DDI
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BU of 1ddi by Molmil
CRYSTAL STRUCTURE OF SIR-FP60
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFITE REDUCTASE [NADPH] FLAVOPROTEIN ALPHA-COMPONENT
Authors:Gruez, A, Pignol, D, Zeghouf, M, Coves, J, Fontecave, M, Ferrer, J.L, Fontecilla-Camps, J.C.
Deposit date:1999-11-10
Release date:2000-11-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Four crystal structures of the 60 kDa flavoprotein monomer of the sulfite reductase indicate a disordered flavodoxin-like module.
J.Mol.Biol., 299, 2000
5JYC
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BU of 5jyc by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 14,15-EET hydrolysis intermediate
Descriptor: (5~{Z},11~{Z},14~{R},15~{R})-14,15-bis(oxidanyl)icosa-5,8,11-trienoic acid, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-05-13
Release date:2017-01-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Pseudomonas aeruginosa sabotages the generation of host proresolving lipid mediators.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7RSL
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BU of 7rsl by Molmil
Seipin forms a flexible cage at lipid droplet formation sites
Descriptor: Seipin
Authors:Arlt, H, Sui, X, Folger, B, Adams, C, Chen, X, Remme, R, Hamprecht, F.A, DiMaio, F, Liao, M, Goodman, J.M, Farese Jr, R.V, Walther, T.C.
Deposit date:2021-08-11
Release date:2022-02-09
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Seipin forms a flexible cage at lipid droplet formation sites.
Nat.Struct.Mol.Biol., 29, 2022
5K1R
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BU of 5k1r by Molmil
Structure of Burkholderia pseudomallei K96243 sphingosine-1-phosphate lyase Bpss2021
Descriptor: Burkholderia pseudomallei sphingosine-1-phosphate lyase Bpss2021, PYRIDOXAL-5'-PHOSPHATE
Authors:Mclean, C.J, Campopiano, D.J, Marles-Wright, J.
Deposit date:2016-05-18
Release date:2016-11-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.104 Å)
Cite:Characterization of homologous sphingosine-1-phosphate lyase isoforms in the bacterial pathogen Burkholderia pseudomallei.
J. Lipid Res., 58, 2017
1DDG
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BU of 1ddg by Molmil
CRYSTAL STRUCTURE OF SIR-FP60
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, SULFITE REDUCTASE (NADPH) FLAVOPROTEIN ALPHA-COMPONENT
Authors:Gruez, A, Pignol, D, Zeghouf, M, Coves, J, Fontecave, M, Ferrer, J.L, Fontecilla-Camps, J.C.
Deposit date:1999-11-10
Release date:2000-11-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Four crystal structures of the 60 kDa flavoprotein monomer of the sulfite reductase indicate a disordered flavodoxin-like module.
J.Mol.Biol., 299, 2000
4V35
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BU of 4v35 by Molmil
The Structure of A-PGS from Pseudomonas aeruginosa
Descriptor: ACETATE ION, ALANYL-TRNA-DEPENDENT L-ALANYL- PHOPHATIDYLGLYCEROL SYNTHASE, CALCIUM ION, ...
Authors:Krausze, J, Hebecker, S, Hasenkampf, T, Heinz, D.W, Moser, J.
Deposit date:2014-10-16
Release date:2015-08-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of Two Bacterial Resistance Factors Mediating tRNA-Dependent Aminoacylation of Phosphatidylglycerol with Lysine or Alanine.
Proc.Natl.Acad.Sci.USA, 112, 2015
4V34
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BU of 4v34 by Molmil
The Structure of A-PGS from Pseudomonas aeruginosa (SeMet derivative)
Descriptor: ALANYL-TRNA-DEPENDENT L-ALANYL- PHOPHATIDYLGLYCEROL SYNTHASE, CHLORIDE ION, SULFATE ION
Authors:Krausze, J, Hebecker, S, Hasenkampf, T, Heinz, D.W, Moser, J.
Deposit date:2014-10-16
Release date:2015-08-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structures of Two Bacterial Resistance Factors Mediating tRNA-Dependent Aminoacylation of Phosphatidylglycerol with Lysine or Alanine.
Proc.Natl.Acad.Sci.USA, 112, 2015
5KCM
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BU of 5kcm by Molmil
Crystal structure of iron-sulfur cluster containing photolyase PhrB mutant I51W
Descriptor: (6-4) photolyase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Yang, X, Bowatte, K, Zhang, F, Lamparter, T.
Deposit date:2016-06-06
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.149 Å)
Cite:Crystal Structures of Bacterial (6-4) Photolyase Mutants with Impaired DNA Repair Activity.
Photochem. Photobiol., 93, 2017
1E08
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BU of 1e08 by Molmil
Structural model of the [Fe]-Hydrogenase/cytochrome c553 complex combining NMR and soft-docking
Descriptor: 1,3-PROPANEDITHIOL, CARBON MONOXIDE, CYANIDE ION, ...
Authors:Morelli, X, Czjzek, M, Hatchikian, C.E, Bornet, O, Fontecilla-Camps, J.C, Palma, N.P, Moura, J.J.G, Guerlesquin, F.
Deposit date:2000-03-13
Release date:2000-08-25
Last modified:2024-11-20
Method:SOLUTION NMR, THEORETICAL MODEL
Cite:Structural Model of the Fe-Hydrogenase/Cytochrome C553 Complex Combining Transverse Relaxation-Optimized Spectroscopy Experiments and Soft Docking Calculations.
J.Biol.Chem., 275, 2000
1DQB
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BU of 1dqb by Molmil
NMR STRUCTURE OF THROMBOMODULIN EGF(4-5)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, THROMBOMODULIN
Authors:Wood, M.J, Sampoli-Benitez, B.A, Komives, E.A.
Deposit date:2000-01-03
Release date:2000-03-06
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Solution structure of the smallest cofactor-active fragment of thrombomodulin.
Nat.Struct.Biol., 7, 2000
8A2Q
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BU of 8a2q by Molmil
Structure of the DNA-bound FANCD2-FANCI complex containing phosphomimetic FANCI
Descriptor: DNA (29-MER), FANCD2, Fanconi anemia complementation group I
Authors:Passmore, L.A, Sijacki, T, Alcon, P.
Deposit date:2022-06-06
Release date:2022-09-07
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.53 Å)
Cite:The DNA-damage kinase ATR activates the FANCD2-FANCI clamp by priming it for ubiquitination.
Nat.Struct.Mol.Biol., 29, 2022
1ETH
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BU of 1eth by Molmil
TRIACYLGLYCEROL LIPASE/COLIPASE COMPLEX
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, BETA-MERCAPTOETHANOL, CALCIUM ION, ...
Authors:Hermoso, J, Pignol, D, Kerfelec, B, Crenon, I, Chapus, C, Fontecilla-Camps, J.C.
Deposit date:1995-09-13
Release date:1996-12-07
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Lipase activation by nonionic detergents. The crystal structure of the porcine lipase-colipase-tetraethylene glycol monooctyl ether complex.
J.Biol.Chem., 271, 1996

238895

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