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6JCG
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BU of 6jcg by Molmil
Room temperature structure of HIV-1 Integrase catalytic core domain by serial femtosecond crystallography.
Descriptor: CACODYLATE ION, Integrase
Authors:Park, J.H, Shi, Y, Han, J, Li, X, Kim, T.H, Yun, J.H.
Deposit date:2019-01-28
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Non-Cryogenic Structure and Dynamics of HIV-1 Integrase Catalytic Core Domain by X-ray Free-Electron Lasers.
Int J Mol Sci, 20, 2019
6L1P
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BU of 6l1p by Molmil
Crystal structure of PHF20L1 in complex with Hit 1
Descriptor: 4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenol, GLYCEROL, PHD finger protein 20-like protein 1, ...
Authors:Lv, M.Q, Gao, J.
Deposit date:2019-09-29
Release date:2020-09-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.231 Å)
Cite:Conformational Selection in Ligand Recognition by the First Tudor Domain of PHF20L1.
J Phys Chem Lett, 11, 2020
6L1C
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BU of 6l1c by Molmil
Crystal Structure Of of PHF20L1 Tudor1 Y24L mutant
Descriptor: GLYCEROL, PHD finger protein 20-like protein 1, SULFATE ION
Authors:Lv, M.Q, Gao, J.
Deposit date:2019-09-28
Release date:2020-09-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Conformational Selection in Ligand Recognition by the First Tudor Domain of PHF20L1.
J Phys Chem Lett, 11, 2020
6L1I
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BU of 6l1i by Molmil
Crystal Structure Of of PHF20L1 Tudor1 Y24W/Y29W mutant
Descriptor: PHD finger protein 20-like protein 1, SULFATE ION
Authors:Lv, M.Q, Gao, J.
Deposit date:2019-09-29
Release date:2020-09-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:Conformational Selection in Ligand Recognition by the First Tudor Domain of PHF20L1.
J Phys Chem Lett, 11, 2020
6KZ7
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BU of 6kz7 by Molmil
The crystal structure of BAF155 SWIRM domain and N-terminal elongated hSNF5 RPT1 domain complex: Chromatin remodeling complex
Descriptor: SWI/SNF complex subunit SMARCC1, SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1
Authors:Lee, W, Han, J, Kim, I, Park, J.H, Joo, K, Lee, J, Suh, J.Y.
Deposit date:2019-09-23
Release date:2020-07-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:A Coil-to-Helix Transition Serves as a Binding Motif for hSNF5 and BAF155 Interaction.
Int J Mol Sci, 21, 2020
5LNK
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BU of 5lnk by Molmil
Entire ovine respiratory complex I
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 4'-PHOSPHOPANTETHEINE, ...
Authors:Fiedorczuk, K, Letts, J.A, Kaszuba, K, Sazanov, L.A.
Deposit date:2016-08-04
Release date:2016-11-23
Last modified:2021-06-02
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Atomic structure of the entire mammalian mitochondrial complex I.
Nature, 538, 2016
5LMC
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BU of 5lmc by Molmil
Oxidized flavodiiron core of Escherichia coli flavorubredoxin, including the Fe-4SG atoms from its rubredoxin domain
Descriptor: ACETIC ACID, Anaerobic nitric oxide reductase flavorubredoxin, CACODYLATE ION, ...
Authors:Romao, C.V, Borges, P.T, Vicente, J.B, Carrondo, M.A, Teixeira, M, Frazao, C.
Deposit date:2016-07-29
Release date:2016-10-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of Escherichia coli Flavodiiron Nitric Oxide Reductase.
J.Mol.Biol., 428, 2016
5M63
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BU of 5m63 by Molmil
Crystal structure of group B Streptococcus type III DP2 oligosaccharide bound to Fab NVS-1-19-5
Descriptor: (2~{R},3~{R},4~{S},5~{S})-2-[bis(oxidanyl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol, 1,2-ETHANEDIOL, H chain of Fab NVS-1-19-5, ...
Authors:Carboni, F, Adamo, R, Veggi, D, Rappuoli, R, Malito, E, Margarit, I.R, Berti, F.
Deposit date:2016-10-24
Release date:2017-05-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Structure of a protective epitope of group B Streptococcus type III capsular polysaccharide.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5MY3
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BU of 5my3 by Molmil
Crystal structure of the RhoGAP domain of Rgd1p at 2.19 Angstroms resolution
Descriptor: RHO GTPase-activating protein RGD1
Authors:Martinez, D.M, d'Estaintot, B.L, Granier, T, Hugues, M, Odaert, B, Gallois, B, Doignon, F.
Deposit date:2017-01-25
Release date:2018-01-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural evidence of a phosphoinositide-binding site in the Rgd1-RhoGAP domain.
Biochem. J., 474, 2017
2YEO
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BU of 2yeo by Molmil
A39L mutation of scorpion toxin lqh-alpha-it
Descriptor: 1,2-ETHANEDIOL, ALPHA-INSECT TOXIN LQHAIT, CHLORIDE ION, ...
Authors:Frolow, F, Kahn, R, Gurevitz, M.
Deposit date:2011-03-28
Release date:2011-04-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Crystal Structures of Scorpion Alpha-Toxinsmutants Reveal Conformational Constraints that Dictate Preference for Mammalian Brain Voltage-Gated Na- Channels
To be Published
5NDF
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BU of 5ndf by Molmil
Small-molecule inhibition of ppGalNAc-Ts selectively reduces mucin-type O-glycosylation
Descriptor: 1,2-ETHANEDIOL, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, MANGANESE (II) ION, ...
Authors:Hurtado-Guerrero, R, De las Rivas, M.
Deposit date:2017-03-08
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The small molecule luteolin inhibits N-acetyl-alpha-galactosaminyltransferases and reduces mucin-type O-glycosylation of amyloid precursor protein.
J. Biol. Chem., 292, 2017
5LYC
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BU of 5lyc by Molmil
Cytochrome c in complex with phosphonato-calix[6]arene
Descriptor: Cytochrome c iso-1, HEME C, SULFATE ION, ...
Authors:Rennie, M.L, Crowley, P.B.
Deposit date:2016-09-27
Release date:2017-05-10
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Protein Dimerization on a Phosphonated Calix[6]arene Disc.
Angew. Chem. Int. Ed. Engl., 56, 2017
5N9M
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BU of 5n9m by Molmil
Crystal structure of GatD - a glutamine amidotransferase from Staphylococcus aureus involved in peptidoglycan amidation
Descriptor: Cobyric acid synthase, GLUTAMINE, TETRAETHYLENE GLYCOL
Authors:Leisico, F, Vieira, D, Romao, M.R, Trincao, J, Santos-Silva, T.
Deposit date:2017-02-25
Release date:2018-03-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:First insights of peptidoglycan amidation in Gram-positive bacteria - the high-resolution crystal structure of Staphylococcus aureus glutamine amidotransferase GatD.
Sci Rep, 8, 2018
5NDB
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BU of 5ndb by Molmil
Crystal structure of metallo-beta-lactamase SPM-1 complexed with cyclobutanone inhibitor
Descriptor: (1~{S},4~{R},5~{S})-7,7-bis(chloranyl)-6,6-bis(oxidanyl)-2$l^{4}-thiabicyclo[3.2.0]hept-2-ene-4-carboxylic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase IMP-1, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2017-03-08
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Cyclobutanone Mimics of Intermediates in Metallo-beta-Lactamase Catalysis.
Chemistry, 24, 2018
3C1U
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BU of 3c1u by Molmil
D192N mutant of Rhamnogalacturonan acetylesterase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Rhamnogalacturonan acetylesterase
Authors:Langkilde, A, Lo Leggio, L, Navarro Poulsen, J.C, Molgaard, A, Larsen, S.
Deposit date:2008-01-24
Release date:2008-08-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Short strong hydrogen bonds in proteins: a case study of rhamnogalacturonan acetylesterase
ACTA CRYSTALLOGR.,SECT.D, 64, 2008
5LYK
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BU of 5lyk by Molmil
CRYSTAL STRUCTURE OF INTRACELLULAR B30.2 DOMAIN OF BTN3A1 BOUND TO CITRATE
Descriptor: 1,2-ETHANEDIOL, Butyrophilin subfamily 3 member A1, CITRATE ANION
Authors:Mohammed, F, Baker, A.T, Salim, M, Willcox, B.E.
Deposit date:2016-09-28
Release date:2017-09-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:BTN3A1 Discriminates gamma delta T Cell Phosphoantigens from Nonantigenic Small Molecules via a Conformational Sensor in Its B30.2 Domain.
ACS Chem. Biol., 12, 2017
5MZ7
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BU of 5mz7 by Molmil
Crystal Structure of the third PDZ domain from the synaptic protein PSD-95 with incorporated Azidohomoalanine
Descriptor: Disks large homolog 4
Authors:Kudlinzki, D, Lehner, F, Witt, K, Linhard, V.L, Silvers, R, Schwalbe, H.
Deposit date:2017-01-31
Release date:2017-10-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Impact of Azidohomoalanine Incorporation on Protein Structure and Ligand Binding.
Chembiochem, 18, 2017
5N57
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BU of 5n57 by Molmil
Staphylococcus aureus cambialistic superoxide dismutase SodM
Descriptor: MANGANESE (II) ION, Superoxide dismutase
Authors:Barwinska-Sendra, A, Basle, A, Waldron, K.
Deposit date:2017-02-13
Release date:2018-03-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A charge polarization model for the metal-specific activity of superoxide dismutases.
Phys Chem Chem Phys, 20, 2018
3AUL
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BU of 3aul by Molmil
Crystal structure of wild-type Lys48-linked diubiquitin in an open conformation
Descriptor: Polyubiquitin-C
Authors:Hirano, T, Olivier, S, Yagi, M, Takemoto, E, Hiromoto, T, Satoh, T, Mizushima, T, Kato, K.
Deposit date:2011-02-09
Release date:2011-09-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Conformational dynamics of wild-type Lys48-linked diubiquitin in solution
J.Biol.Chem., 286, 2011
3BDC
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BU of 3bdc by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Khangulov, V, Schlessman, J.L, Garcia-Moreno, B.E.
Deposit date:2007-11-14
Release date:2008-11-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular determinants of the pK(a) values of Asp and Glu residues in staphylococcal nuclease.
Proteins, 77, 2009
5NDE
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BU of 5nde by Molmil
Crystal structure of metallo-beta-lactamase SPM-1 in space group P4222
Descriptor: Beta-lactamase IMP-1, CHLORIDE ION, GLYCEROL, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2017-03-08
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Cyclobutanone Mimics of Intermediates in Metallo-beta-Lactamase Catalysis.
Chemistry, 24, 2018
5N56
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BU of 5n56 by Molmil
Staphylococcus aureus Mn-dependent superoxide dismutase SodA
Descriptor: MANGANESE (II) ION, Superoxide dismutase [Mn/Fe] 1
Authors:Barwinska-Sendra, A, Basle, A, Waldron, K.
Deposit date:2017-02-13
Release date:2018-03-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:A charge polarization model for the metal-specific activity of superoxide dismutases.
Phys Chem Chem Phys, 20, 2018
3BHP
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BU of 3bhp by Molmil
Crystal structure of UPF0291 protein ynzC from Bacillus subtilis at resolution 2.0 A. Northeast Structural Genomics Consortium target SR384
Descriptor: UPF0291 protein ynzC
Authors:Kuzin, A.P, Su, M, Seetharaman, J, Janjua, H, Cunningham, K, Maglaqui, M, Owens, L.A, Zhao, L, Xiao, R, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-11-28
Release date:2007-12-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structure of the UPF0291 protein ynzC from Bacillus subtilis at the resolution 2.0 A.
To be Published
5NQA
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BU of 5nqa by Molmil
Crystal structure of GalNAc-T4 in complex with the monoglycopeptide 3
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, GLYCEROL, ...
Authors:de las Rivas, M, Lira-Navarrete, E, Daniel, E.J.P, Companon, I, Coelho, H, Diniz, A, Jimenez-Barbero, J, Peregrina, J.M, Clausen, H, Corzana, F, Marcelo, F, Jimenez-Oses, G, Gerken, T.A, Hurtado-Guerrero, R.
Deposit date:2017-04-19
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The interdomain flexible linker of the polypeptide GalNAc transferases dictates their long-range glycosylation preferences.
Nat Commun, 8, 2017
5LYG
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BU of 5lyg by Molmil
CRYSTAL STRUCTURE OF INTRACELLULAR B30.2 DOMAIN OF BTN3A1 BOUND TO MALONATE
Descriptor: 1,2-ETHANEDIOL, Butyrophilin subfamily 3 member A1, MALONATE ION
Authors:Mohammed, F, Baker, A.T, Salim, M, Willcox, B.E.
Deposit date:2016-09-28
Release date:2017-09-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:BTN3A1 Discriminates gamma delta T Cell Phosphoantigens from Nonantigenic Small Molecules via a Conformational Sensor in Its B30.2 Domain.
ACS Chem. Biol., 12, 2017

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