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6TUX
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human XPG-DNA, Complex 2
Descriptor: DNA (5'-D(P*AP*AP*CP*TP*CP*TP*GP*C)-3'), DNA (5'-D(P*GP*CP*AP*GP*AP*GP*TP*T)-3'), DNA repair protein complementing XP-G cells,DNA repair protein complementing XP-G cells
Authors:Ruiz, F.M, Fernandez-Tornero, C.
Deposit date:2020-01-08
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The crystal structure of human XPG, the xeroderma pigmentosum group G endonuclease, provides insight into nucleotide excision DNA repair.
Nucleic Acids Res., 48, 2020
8H62
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Crystal structure of Internalin A from Listeria monocytogenes with human E-cadherin EC12
Descriptor: ACETATE ION, CALCIUM ION, Cadherin-1, ...
Authors:Caaveiro, J.M.M, Nagatoish, S, Tsumoto, K.
Deposit date:2022-10-14
Release date:2023-10-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Anti-InlA single-domain antibodies that inhibit the cell invasion of Listeria monocytogenes.
J.Biol.Chem., 299, 2023
7ZLV
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BU of 7zlv by Molmil
Tail tip of siphophage T5 : central fibre protein pb4
Descriptor: Probable central straight fiber
Authors:Linares, R, Arnaud, C.A, Effantin, G, Epalle, N, Boeri Erba, E, Schoehn, G, Breyton, C.
Deposit date:2022-04-15
Release date:2023-02-08
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (4.22 Å)
Cite:Structural basis of bacteriophage T5 infection trigger and E. coli cell wall perforation.
Sci Adv, 9, 2023
8PC7
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BU of 8pc7 by Molmil
STRUCTURE OF ESTER-HYDROLASE EH3 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH A DERIVATIVE OF BIPYRIDINE PHOSPHONATE
Descriptor: DI(HYDROXYETHYL)ETHER, Esterase, GLYCEROL, ...
Authors:Cea-Rama, I, Sanz-Aparicio, J.
Deposit date:2023-06-09
Release date:2023-07-19
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Transforming an esterase into an enantioselective catecholase through bioconjugation of a versatile metal-chelating inhibitor.
Chem.Commun.(Camb.), 59, 2023
8H63
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Crystal structure of Internalin A from Listeria monocytogenes with nanobody VHH10 bound
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Caaveiro, J.M.M, Nagatoish, S, Tsumoto, K.
Deposit date:2022-10-15
Release date:2023-10-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Anti-InlA single-domain antibodies that inhibit the cell invasion of Listeria monocytogenes.
J.Biol.Chem., 299, 2023
6TUW
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human XPG-DNA, Complex 1
Descriptor: DNA (5'-D(P*GP*AP*AP*CP*TP*CP*TP*G)-3'), DNA (5'-D(P*TP*GP*CP*AP*GP*AP*GP*TP*TP*C)-3'), DNA repair protein complementing XP-G cells,DNA repair protein complementing XP-G cells
Authors:Ruiz, F.M, Fernandez-Tornero, C.
Deposit date:2020-01-08
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:The crystal structure of human XPG, the xeroderma pigmentosum group G endonuclease, provides insight into nucleotide excision DNA repair.
Nucleic Acids Res., 48, 2020
6TUS
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BU of 6tus by Molmil
human XPG, Apo2 form
Descriptor: DNA repair protein complementing XP-G cells,DNA repair protein complementing XP-G cells, GLYCEROL, SULFATE ION
Authors:Ruiz, F.M, Fernandez-Tornero, C.
Deposit date:2020-01-08
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of human XPG, the xeroderma pigmentosum group G endonuclease, provides insight into nucleotide excision DNA repair.
Nucleic Acids Res., 48, 2020
5G5E
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BU of 5g5e by Molmil
Crystallographic structure of the Tau class glutathione S-transferase MiGSTU from mango Mangifera indica L.
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, TAU CLASS GLUTATHIONE S-TRANSFERASE
Authors:Valenzuela-Chavira, I, Serrano-Posada, H, Lopez-Zavala, A, Hernandez-Paredes, J, Sotelo-Mundo, R.
Deposit date:2016-05-24
Release date:2017-02-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Insights Into Ligand Binding to a Glutathione S-Transferase from Mango: Structure, Thermodynamics and Kinetics
Biochimie, 135, 2017
5G5F
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BU of 5g5f by Molmil
Crystallographic structure of the Tau class glutathione S-transferase MiGSTU in complex with reduced glutathione.
Descriptor: DI(HYDROXYETHYL)ETHER, GLUTATHIONE, TAU CLASS GLUTATHIONE S-TRANSFERASE
Authors:Valenzuela-Chavira, I, Serrano-Posada, H, Lopez-Zavala, A, Hernandez-Paredes, J, Sotelo-Mundo, R.
Deposit date:2016-05-24
Release date:2017-02-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Insights Into Ligand Binding to a Glutathione S-Transferase from Mango: Structure, Thermodynamics and Kinetics
Biochimie, 135, 2017
8BXY
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BU of 8bxy by Molmil
FimH in complex with alpha1,6 core-fucosylated oligomannose-3, crystallized in the trigonal space group
Descriptor: NICKEL (II) ION, SULFATE ION, Type 1 fimbrin D-mannose specific adhesin, ...
Authors:Bridot, C, Bouckaert, J, Krammer, E.-M.
Deposit date:2022-12-11
Release date:2023-04-12
Last modified:2023-04-26
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural insights into a cooperative switch between one and two FimH bacterial adhesins binding pauci- and high-mannose type N-glycan receptors.
J.Biol.Chem., 299, 2023
8BY3
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BU of 8by3 by Molmil
FimH lectin domain in complex with oligomannose-6
Descriptor: NICKEL (II) ION, SULFATE ION, Type 1 fimbrin D-mannose specific adhesin, ...
Authors:Bouckaert, J, Bourenkov, G.P.
Deposit date:2022-12-11
Release date:2023-04-12
Last modified:2023-04-26
Method:X-RAY DIFFRACTION (3.186 Å)
Cite:Structural insights into a cooperative switch between one and two FimH bacterial adhesins binding pauci- and high-mannose type N-glycan receptors.
J.Biol.Chem., 299, 2023
7UYY
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BU of 7uyy by Molmil
The crystal structure of the Pseudomonas aeruginosa aldehyde dehydrogenase encoded by the PA4189 gene in complex with NADH
Descriptor: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Gonzalez-Segura, L, Juarez-Vazquez, A.L, Munoz-Clares, R.A.
Deposit date:2022-05-07
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The uncharacterized Pseudomonas aeruginosa PA4189 is a novel and efficient aminoacetaldehyde dehydrogenase.
Biochem.J., 480, 2023
4TW6
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BU of 4tw6 by Molmil
The Fk1 domain of FKBP51 in complex with iFit1
Descriptor: (3-{(1R)-3-(3,4-dimethoxyphenyl)-1-[({(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)pent-4-enoyl]piperidin-2-yl}carbonyl)oxy]propyl}phenoxy)acetic acid, GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP5, ...
Authors:Gaali, S, Kirschner, A, Cuboni, S, Hartmann, J, Kozany, C, Balsevich, G, Namendorf, C, Fernandez-Vizarra, P, Almeida, O.F.X, Ruehter, G, Uhr, M, Schmidt, M.V, Touma, C, Bracher, A, Hausch, F.
Deposit date:2014-06-30
Release date:2014-11-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Selective inhibitors of the FK506-binding protein 51 by induced fit.
Nat.Chem.Biol., 11, 2015
4TW8
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BU of 4tw8 by Molmil
The Fk1-Fk2 domains of FKBP52 in complex with iFit-FL
Descriptor: 2-(5-{[({3-[(1R)-1-[({(2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetyl)amino]methyl}-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid, Peptidyl-prolyl cis-trans isomerase FKBP4
Authors:Gaali, S, Kirschner, A, Cuboni, S, Hartmann, J, Kozany, C, Balsevich, G, Namendorf, C, Fernandez-Vizarra, P, Almeida, O.F.X, Ruehter, G, Uhr, M, Schmidt, M.V, Touma, C, Bracher, A, Hausch, F.
Deposit date:2014-06-30
Release date:2014-11-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.003 Å)
Cite:Selective inhibitors of the FK506-binding protein 51 by induced fit.
Nat.Chem.Biol., 11, 2015
4TW7
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BU of 4tw7 by Molmil
The Fk1 domain of FKBP51 in complex with iFit4
Descriptor: (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Gaali, S, Kirschner, A, Cuboni, S, Hartmann, J, Kozany, C, Balsevich, G, Namendorf, C, Fernandez-Vizarra, P, Almeida, O.F.X, Ruehter, G, Uhr, M, Schmidt, M.V, Touma, C, Bracher, A, Hausch, F.
Deposit date:2014-06-30
Release date:2014-11-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Selective inhibitors of the FK506-binding protein 51 by induced fit.
Nat.Chem.Biol., 11, 2015
7L28
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BU of 7l28 by Molmil
Crystal structure of the catalytic domain of human PDE3A bound to Trequinsin
Descriptor: (2E)-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-2,3,6,7-tetrahydro-4H-pyrimido[6,1-a]isoquinolin-4-one, ACETATE ION, MAGNESIUM ION, ...
Authors:Horner, S.W, Garvie, C.
Deposit date:2020-12-16
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of PDE3A-SLFN12 complex reveals requirements for activation of SLFN12 RNase.
Nat Commun, 12, 2021
7L27
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BU of 7l27 by Molmil
Crystal structure of the catalytic domain of human PDE3A
Descriptor: ACETATE ION, CALCIUM ION, MAGNESIUM ION, ...
Authors:Horner, S.W, Garvie, C.
Deposit date:2020-12-16
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of PDE3A-SLFN12 complex reveals requirements for activation of SLFN12 RNase.
Nat Commun, 12, 2021
7L29
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BU of 7l29 by Molmil
Crystal structure of the catalytic domain of human PDE3A bound to AMP
Descriptor: ACETATE ION, ADENOSINE MONOPHOSPHATE, CALCIUM ION, ...
Authors:Horner, S.W, Garvie, C.
Deposit date:2020-12-16
Release date:2021-06-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structure of PDE3A-SLFN12 complex reveals requirements for activation of SLFN12 RNase.
Nat Commun, 12, 2021
2KVM
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BU of 2kvm by Molmil
Solution structure of the CBX7 chromodomain in complex with a H3K27me2 peptide
Descriptor: Chromobox protein homolog 7, histone H3 peptide (residues 15-30) with dimethylated lysine 27
Authors:Yap, K.L, Zeng, L, Zhou, M.
Deposit date:2010-03-17
Release date:2010-06-30
Last modified:2020-02-05
Method:SOLUTION NMR
Cite:Molecular interplay of the noncoding RNA ANRIL and methylated histone H3 lysine 27 by polycomb CBX7 in transcriptional silencing of INK4a.
Mol.Cell, 38, 2010
8PF2
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BU of 8pf2 by Molmil
Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK16
Descriptor: Chemotaxis protein CheA, RESORCINOL
Authors:Adhav, A, Marina, A.
Deposit date:2023-06-15
Release date:2024-06-26
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Repurposing Hsp90 inhibitors as antimicrobials targeting two-component systems identifies compounds leading to loss of bacterial membrane integrity.
Microbiol Spectr, 2024
4Z72
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BU of 4z72 by Molmil
Crystal structure of inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with two phosphate ions
Descriptor: CALCIUM ION, Inorganic pyrophosphatase, PHOSPHATE ION
Authors:Pratt, A.C, Biswas, T, Barnard-Britson, S, Tsodikov, O.V.
Deposit date:2015-04-06
Release date:2015-08-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.352 Å)
Cite:Structural and computational dissection of the catalytic mechanism of the inorganic pyrophosphatase from Mycobacterium tuberculosis.
J.Struct.Biol., 192, 2015
6HMG
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BU of 6hmg by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-glucosamine)
Descriptor: (1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ...
Authors:Sobala, L.F, Lu, D, Zhu, S, Bernardo-Seisdedos, G, Millet, O, Zhang, Y, Sollogoub, M, Jimenez-Barbero, J, Davies, G.J.
Deposit date:2018-09-12
Release date:2018-09-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:From 1,4-Disaccharide to 1,3-Glycosyl Carbasugar: Synthesis of a Bespoke Inhibitor of Family GH99 Endo-alpha-mannosidase.
Org.Lett., 20, 2018
7UQC
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BU of 7uqc by Molmil
phospho-GlialCAM peptide AA370-389 with Fab MS39p2w174
Descriptor: CHLORIDE ION, Fab MS39p2w174 Heavy Chain, Fab MS39p2w174 Light Chain, ...
Authors:Lanz, T.V, Robinson, W.H, Fernandez, D.
Deposit date:2022-04-19
Release date:2023-10-25
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Evolution of Antibody Reactivity against EBV EBNA1 to Molecular Mimicry with GlialCAM
To Be Published
6H1W
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BU of 6h1w by Molmil
Crystal Structure of protein MJ1004 from Mathanocaldococcus jannaschii
Descriptor: MJ1004
Authors:Alfonso Martinez-Cruz, L, Oyenarte, I, Fernandez-Rodriguez, C.
Deposit date:2018-07-12
Release date:2019-07-31
Method:X-RAY DIFFRACTION (2.394 Å)
Cite:Crystal Structure of protein MJ1004 from Mathanocaldococcus jannaschii
To Be Published
5FCR
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BU of 5fcr by Molmil
MOUSE COMPLEMENT FACTOR D
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Complement factor D, DIMETHYL SULFOXIDE, ...
Authors:Mac Sweeney, A.
Deposit date:2015-12-15
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Small-molecule factor D inhibitors targeting the alternative complement pathway.
Nat.Chem.Biol., 12, 2016

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