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6YX9
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BU of 6yx9 by Molmil
Cryogenic human adiponectin receptor 2 (ADIPOR2) at 2.4 A resolution determined by Serial Crystallography (SSX) using CrystalDirect
Descriptor: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adiponectin receptor protein 2, GLYCEROL, ...
Authors:Healey, R.D, Basu, S, Humm, A.S, Leyrat, C, Dupeux, F, Pica, A, Granier, S, Marquez, J.A.
Deposit date:2020-04-30
Release date:2021-05-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.404 Å)
Cite:An automated platform for structural analysis of membrane proteins through serial crystallography.
Cell Rep Methods, 1, 2021
6ZCU
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BU of 6zcu by Molmil
syk in complex with 57262_SYKB-AZ13344324-2
Descriptor: 6-chloro-2-(2-fluoro-4,5-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-3H-imidazo[4,5-b]pyridin-7-amine, Tyrosine-protein kinase SYK
Authors:Read, J.A, Patel, J.
Deposit date:2020-06-12
Release date:2021-06-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:SYK Kinase domain in complex with azabenzimidazole inhibitor 2b
To Be Published
6ZCP
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BU of 6zcp by Molmil
SYK Kinase domain in complex with azabenzimidazole inhibitor 2b
Descriptor: 7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide, Tyrosine-protein kinase SYK
Authors:Read, J.A.
Deposit date:2020-06-11
Release date:2021-06-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:SYK Kinase domain in complex with azabenzimidazole inhibitor 4
To Be Published
6ZCS
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BU of 6zcs by Molmil
SYK Kinase domain in complex with azabenzimidazole inhibitor 3
Descriptor: (3~{R},4~{R})-~{N}4-[1-[2-(1-methylindol-4-yl)-3~{H}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine, Tyrosine-protein kinase SYK
Authors:Read, J.A.
Deposit date:2020-06-12
Release date:2021-06-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:SYK Kinase domain in complex with azabenzimidazole inhibitor 3
To Be Published
6ZC0
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BU of 6zc0 by Molmil
SYK Kinase domain in complex with azabenzimidazole inhibitor 2b
Descriptor: Tyrosine-protein kinase SYK, ~{N},~{N}-dimethyl-1-[1-[2-(1-methylindol-4-yl)-3~{H}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine
Authors:Read, J.A.
Deposit date:2020-06-09
Release date:2021-06-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:SYK Kinase domain in complex with azabenzimidazole inhibitor 2b
To Be Published
6ZCX
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BU of 6zcx by Molmil
SYK Kinase domain in complex with azabenzimidazole inhibitor 18
Descriptor: Tyrosine-protein kinase SYK, ~{N},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{R})-piperidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide
Authors:Read, J.A.
Deposit date:2020-06-12
Release date:2021-06-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:SYK Kinase domain in complex with azabenzimidazole inhibitor 18
To Be Published
6ZCY
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BU of 6zcy by Molmil
SYK Kinase domain in complex with diamine inhibitor 16
Descriptor: Tyrosine-protein kinase SYK, ~{N},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{R})-pyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide
Authors:Read, J.A.
Deposit date:2020-06-12
Release date:2021-06-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:SYK Kinase domain in complex with azabenzimidazole inhibitor 16
To Be Published
6ZCQ
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BU of 6zcq by Molmil
SYK Kinase domain in complex with diamine inhibitor 5
Descriptor: 7-[[4-[4-[[(3~{R},4~{R})-3-azanyloxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide, Tyrosine-protein kinase SYK
Authors:Read, J.A.
Deposit date:2020-06-11
Release date:2021-06-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:SYK Kinase domain in complex with diamine inhibitor 5
To Be Published
6ZCR
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BU of 6zcr by Molmil
SYK Kinase domain in complex with azabenzimidazole inhibitor 7
Descriptor: 6-chloro-2-(2-fluoro-4,5-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-3H-imidazo[4,5-b]pyridin-7-amine, Tyrosine-protein kinase SYK
Authors:Read, J.A, Patel, J.
Deposit date:2020-06-12
Release date:2021-06-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:SYK Kinase domain in complex with azabenzimidazole inhibitor 7
To Be Published
6ZSL
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BU of 6zsl by Molmil
Crystal structure of the SARS-CoV-2 helicase at 1.94 Angstrom resolution
Descriptor: PHOSPHATE ION, SARS-CoV-2 helicase NSP13, ZINC ION
Authors:Newman, J.A, Yosaatmadja, Y, Douangamath, A, Arrowsmith, C.H, von Delft, F, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2020-07-15
Release date:2020-07-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
7A1F
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BU of 7a1f by Molmil
Crystal structure of human 5' exonuclease Appollo in complex with 5'dAMP
Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, 5' exonuclease Apollo, FE (III) 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:2020-08-12
Release date:2021-01-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 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
7A2D
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BU of 7a2d by Molmil
Structure-function analyses of dual-BON domain protein DolP identifies phospholipid binding as a new mechanism for protein localisation to the cell division site
Descriptor: Uncharacterized protein YraP
Authors:Bryant, J.A, Morris, F.C, Knowles, T.J, Maderbocus, R, Heinz, E, Boelter, G, Alodaini, D, Colyer, A, Wotherspoon, P.J, Staunton, K.A, Jeeves, M, Browning, D.F, Sevastsyanovich, Y.R, Wells, T.J, Rossiter, A.E, Bavro, V.N, Sridhar, P, Ward, D.G, Chong, Z.S, Goodall, E.C.A, Icke, C, Teo, A, Chng, S.S, Roper, D.I, Lithgow, T, Cunningham, A.F, Banzhaf, M, Overduin, M, Henderson, I.R.
Deposit date:2020-08-17
Release date:2020-12-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of dual BON-domain protein DolP identifies phospholipid binding as a new mechanism for protein localisation.
Elife, 9, 2020
6ZU8
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BU of 6zu8 by Molmil
Crystal structure of human Brachyury G177D variant in complex with Afatinib
Descriptor: Brachyury protein, N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide, ZINC ION
Authors:Newman, J.A, Gavard, A.E, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2020-07-21
Release date:2020-08-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of human Brachyury G177D variant in complex with Afatinib
To Be Published
6WUP
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BU of 6wup by Molmil
Crystal structure of an ancestral cyclohexadienyl dehydratase, AncCDT-5
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Ancestral cyclohexadienyl dehydratase, AncCDT-5, ...
Authors:Kaczmarski, J.A, Mahawaththa, M.C.
Deposit date:2020-05-05
Release date:2020-05-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Altered conformational sampling along an evolutionary trajectory changes the catalytic activity of an enzyme.
Nat Commun, 11, 2020
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
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
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
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
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
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
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

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