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7ABS
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BU of 7abs by Molmil
Structure of human DCLRE1C/Artemis in complex with DNA - re-evaluation of 6WO0
Descriptor: DNA (5'-D(*CP*AP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*AP*TP*CP*AP*GP*CP*T)-3'), Protein artemis, ...
Authors:Newman, J.A, Yosaatmadja, Y, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2020-09-08
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition.
Nucleic Acids Res., 49, 2021
7A6G
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BU of 7a6g by Molmil
Structural characterization of L-proline amide hydrolase from Pseudomonas syringae
Descriptor: PHOSPHATE ION, Putative Proline iminopeptidase
Authors:Martinez-Rodriguez, S, Gavira, J.A.
Deposit date:2020-08-25
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A New L-Proline Amide Hydrolase with Potential Application within the Amidase Process
Crystals, 12, 2022
7AAL
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BU of 7aal by Molmil
Crystal structure of the F-BAR domain of PSTIPIP1, G258A mutant
Descriptor: Proline-serine-threonine phosphatase-interacting protein 1
Authors:Manso, J.A, Alcon, P, Bayon, Y, Alonso, A, de Pereda, J.M.
Deposit date:2020-09-04
Release date:2022-02-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:PSTPIP1-LYP phosphatase interaction: structural basis and implications for autoinflammatory disorders.
Cell.Mol.Life Sci., 79, 2022
7AAM
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BU of 7aam by Molmil
Crystal structure of the F-BAR domain of PSTIPIP1 bound to the CTH domain of the phosphatase LYP
Descriptor: GLYCEROL, Proline-serine-threonine phosphatase-interacting protein 1, Tyrosine-protein phosphatase non-receptor type 22
Authors:Manso, J.A, Alcon, P, Bayon, Y, Alonso, A, de Pereda, J.M.
Deposit date:2020-09-04
Release date:2022-02-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:PSTPIP1-LYP phosphatase interaction: structural basis and implications for autoinflammatory disorders.
Cell.Mol.Life Sci., 79, 2022
6HWL
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BU of 6hwl by Molmil
Glucosamine kinase in complex with glucosamine, ADP and inorganic phosphate
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-amino-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Manso, J.A, Pereira, P.J.B.
Deposit date:2018-10-12
Release date:2019-05-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.148 Å)
Cite:Molecular Fingerprints for a Novel Enzyme Family in Actinobacteria with Glucosamine Kinase Activity.
Mbio, 10, 2019
7AAN
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BU of 7aan by Molmil
Crystal structure of the F-BAR domain of PSTIPIP1
Descriptor: Proline-serine-threonine phosphatase-interacting protein 1
Authors:Manso, J.A, Alcon, P, Bayon, Y, Alonso, A, de Pereda, J.M.
Deposit date:2020-09-04
Release date:2022-02-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:PSTPIP1-LYP phosphatase interaction: structural basis and implications for autoinflammatory disorders.
Cell.Mol.Life Sci., 79, 2022
6I05
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BU of 6i05 by Molmil
Crystal structure of RlpA SPOR domain from Pseudomonas aeruginosa
Descriptor: Endolytic peptidoglycan transglycosylase RlpA
Authors:Alcorlo, M, Hermoso, J.A.
Deposit date:2018-10-25
Release date:2019-11-13
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.213 Å)
Cite:Structural basis of denuded glycan recognition by SPOR domains in bacterial cell division.
Nat Commun, 10, 2019
7AFS
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BU of 7afs by Molmil
The structure of Artemis variant D37A
Descriptor: 1,2-ETHANEDIOL, NICKEL (II) ION, Protein artemis, ...
Authors:Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Gileadi, O.
Deposit date:2020-09-20
Release date:2020-10-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition.
Nucleic Acids Res., 49, 2021
7AGI
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BU of 7agi by Molmil
The structure of Artemis variant H35D
Descriptor: 1,2-ETHANEDIOL, Protein artemis, ZINC ION
Authors:Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Gileadi, O.
Deposit date:2020-09-22
Release date:2020-10-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition.
Nucleic Acids Res., 49, 2021
6I7U
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BU of 6i7u by Molmil
Alpha-1-antitrypsin (Ala250Met) in the native conformation
Descriptor: Alpha-1-antitrypsin
Authors:Aldobiyan, I, Lomas, D.A, Irving, J.A.
Deposit date:2018-11-19
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural determinants of instability in alpha-1-antitrypsin
To Be Published
7B2X
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BU of 7b2x by Molmil
Crystal structure of human 5' exonuclease Appollo H61Y variant
Descriptor: 5' exonuclease Apollo, NICKEL (II) ION
Authors:Newman, J.A, Baddock, H.T, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, von Delft, F, Arrowshmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2020-11-28
Release date:2021-01-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A phosphate binding pocket is a key determinant of exo- versus endo-nucleolytic activity in the SNM1 nuclease family.
Nucleic Acids Res., 49, 2021
7APV
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BU of 7apv by Molmil
Structure of Artemis/DCLRE1C/SNM1C in complex with Ceftriaxone
Descriptor: 1,2-ETHANEDIOL, Ceftriaxone, NICKEL (II) ION, ...
Authors:Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Gileadi, O.
Deposit date:2020-10-20
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition.
Nucleic Acids Res., 49, 2021
6I7N
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BU of 6i7n by Molmil
Trypanothione Reductase from Leismania infantum in complex with TRL156
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, SULFATE ION, ...
Authors:Carriles, A.A, Hermoso, J.A.
Deposit date:2018-11-16
Release date:2019-05-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Pyrrolopyrimidine vs Imidazole-Phenyl-Thiazole Scaffolds in Nonpeptidic Dimerization Inhibitors of Leishmania infantum Trypanothione Reductase.
Acs Infect Dis., 5, 2019
6IBE
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BU of 6ibe by Molmil
The FERM domain of Human EPB41L3
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Band 4.1-like protein 3
Authors:Bradshaw, W.J, Katis, V.L, Newman, J.A, Fernandez-Cid, A, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2018-11-29
Release date:2018-12-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The FERM domain of Human EPB41L3
To Be Published
6I1O
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BU of 6i1o by Molmil
Fab fragment of an antibody selective for wild-type alpha-1-antitrypsin
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FAB 2H2 heavy chain, FAB 2H2 light chain, ...
Authors:Laffranchi, M, Elliston, E.L.K, Miranda, E, Perez, J, Fra, A, Lomas, D.A, Irving, J.A.
Deposit date:2018-10-29
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Intrahepatic heteropolymerization of M and Z alpha-1-antitrypsin.
JCI Insight, 5, 2020
7AF1
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BU of 7af1 by Molmil
The structure of Artemis/SNM1C/DCLRE1C with 2 Zinc ions
Descriptor: 1,2-ETHANEDIOL, Protein artemis, ZINC ION
Authors:Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Gileadi, O.
Deposit date:2020-09-19
Release date:2020-10-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition.
Nucleic Acids Res., 49, 2021
7AFU
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BU of 7afu by Molmil
The structure of Artemis variant H33A
Descriptor: 1,2-ETHANEDIOL, Protein artemis, ZINC ION
Authors:Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Gileadi, O.
Deposit date:2020-09-20
Release date:2020-10-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition.
Nucleic Acids Res., 49, 2021
6I4V
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BU of 6i4v by Molmil
Alpha-1-antitrypsin Queen's (K154N) variant
Descriptor: 3-trimethylsilylpropane-1-sulfonic acid, Alpha-1-antitrypsin, GLYCINE
Authors:Aldobiyan, I, Lomas, D.A, Irving, J.A.
Deposit date:2018-11-12
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural determinants of instability in alpha-1-antitrypsin
To Be Published
7ATF
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BU of 7atf by Molmil
Structure of EstD11 in complex with p-Nitrophenol
Descriptor: ACETATE ION, EstD11, FORMIC ACID, ...
Authors:Miguel-Ruano, V, Rivera, I, Hermoso, J.A.
Deposit date:2020-10-30
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Comput Struct Biotechnol J, 19, 2021
7AV5
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BU of 7av5 by Molmil
Structure of EstD11 in complex with Fluorescein
Descriptor: ACETATE ION, EstD11, FLUORESCIN, ...
Authors:Miguel-Ruano, V, Rivera, I, Hermoso, J.A.
Deposit date:2020-11-04
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Comput Struct Biotechnol J, 19, 2021
7AT0
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BU of 7at0 by Molmil
Structure of the Hormone-Sensitive Lipase like EstD11
Descriptor: EstD11, FORMIC ACID, PHENOL
Authors:Miguel-Ruano, V, Rivera, I, Hermoso, J.A.
Deposit date:2020-10-28
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Comput Struct Biotechnol J, 19, 2021
7APN
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BU of 7apn by Molmil
Structure of Lipase TL from bulk agarose grown crystal
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Lipase, ...
Authors:Gavira, J.A, Martinez-Rodriguez, S, Fernande-Penas, R, Verdugo-Escamilla, C.
Deposit date:2020-10-19
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Production of Cross-Linked Lipase Crystals at a Preparative Scale.
Cryst.Growth Des., 21, 2021
7AT4
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BU of 7at4 by Molmil
Structure of EstD11 in complex with Naproxen
Descriptor: (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, EstD11, FORMIC ACID
Authors:Miguel-Ruano, V, Rivera, I, Hermoso, J.A.
Deposit date:2020-10-28
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Comput Struct Biotechnol J, 19, 2021
7APP
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BU of 7app by Molmil
Structure of Lipase TL from capillary grown crystal in the presence of agarose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FORMIC ACID, Lipase, ...
Authors:Gavira, J.A, Martinez-Rodriguez, S, Fernande-Penas, R, Verdugo-Escamilla, C.
Deposit date:2020-10-19
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Production of Cross-Linked Lipase Crystals at a Preparative Scale.
Cryst.Growth Des., 21, 2021
7ATQ
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BU of 7atq by Molmil
Structure of EstD11 in complex with cyclohexane carboxylic acid
Descriptor: ACETATE ION, EstD11, FORMIC ACID, ...
Authors:Miguel-Ruano, V, Rivera, I, Hermoso, J.A.
Deposit date:2020-10-30
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Comput Struct Biotechnol J, 19, 2021

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