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5RJW
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BU of 5rjw by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z256709556
Descriptor: 3-methylthiophene-2-carboxylic acid, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.514 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RKB
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BU of 5rkb by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z2004563941
Descriptor: (1S)-1-(1-cyclopentyl-1H-pyrazol-4-yl)ethan-1-ol, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.279 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RKR
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BU of 5rkr by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1432018343
Descriptor: (2S)-2-[(5-chloro-3-fluoropyridin-2-yl)amino]propan-1-ol, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RJO
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BU of 5rjo by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with NCL-00023827
Descriptor: 6-bromo-1,3-dihydro-2H-indol-2-one, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RK1
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BU of 5rk1 by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1507502062
Descriptor: 6-methoxy-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.271 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RKI
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BU of 5rki by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396
Descriptor: 4-(furan-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.268 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RJQ
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BU of 5rjq by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with NCL-00024665
Descriptor: 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RK5
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BU of 5rk5 by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z57478994
Descriptor: 5-(methoxymethyl)-1,3,4-thiadiazol-2-amine, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.243 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RKM
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BU of 5rkm by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z2017168803
Descriptor: (2S)-2-[(3-fluoropyridin-2-yl)(methyl)amino]propan-1-ol, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
6TM7
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BU of 6tm7 by Molmil
Human 14-3-3 sigma isoform in complex with PLP
Descriptor: 14-3-3 protein sigma, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
Authors:Tassone, G, Pozzi, C, Mangani, S.
Deposit date:2019-12-03
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Identification of Phosphate-Containing Compounds as New Inhibitors of 14-3-3/c-Abl Protein-Protein Interaction.
Acs Chem.Biol., 15, 2020
7OUG
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BU of 7oug by Molmil
STLV-1 intasome:B56 in complex with the strand-transfer inhibitor raltegravir
Descriptor: DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), Integrase, ...
Authors:Barski, M.S, Ballandras-Colas, A, Cronin, N.B, Pye, V.E, Cherepanov, P, Maertens, G.N.
Deposit date:2021-06-11
Release date:2021-08-18
Last modified:2021-10-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for the inhibition of HTLV-1 integration inferred from cryo-EM deltaretroviral intasome structures.
Nat Commun, 12, 2021
7OUH
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BU of 7ouh by Molmil
Structure of the STLV intasome:B56 complex bound to the strand-transfer inhibitor bictegravir
Descriptor: Bictegravir, DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), ...
Authors:Barski, M.S, Ballandras-Colas, A, Cronin, N.B, Pye, V.E, Cherepanov, P, Maertens, G.N.
Deposit date:2021-06-11
Release date:2021-08-18
Last modified:2021-10-06
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis for the inhibition of HTLV-1 integration inferred from cryo-EM deltaretroviral intasome structures.
Nat Commun, 12, 2021
7OUF
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BU of 7ouf by Molmil
Structure of the STLV intasome:B56 complex bound to the strand-transfer inhibitor XZ450
Descriptor: 4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[3-(dimethylamino)-3-oxidanylidene-propyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide, DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), ...
Authors:Barski, M.S, Ballandras-Colas, A, Cronin, N.B, Pye, V.E, Cherepanov, P, Maertens, G.N.
Deposit date:2021-06-11
Release date:2021-08-18
Last modified:2021-10-06
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for the inhibition of HTLV-1 integration inferred from cryo-EM deltaretroviral intasome structures.
Nat Commun, 12, 2021
6R3U
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BU of 6r3u by Molmil
Endo-levanase BT1760 mutant E221A from Bacteroides thetaiotaomicron complexed with levantetraose
Descriptor: GLYCEROL, Glycoside hydrolase family 32, ZINC ION, ...
Authors:Eek, P, Ernits, K, Lukk, T, Alamae, T.
Deposit date:2019-03-21
Release date:2019-06-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:First crystal structure of an endo-levanase - the BT1760 from a human gut commensal Bacteroides thetaiotaomicron.
Sci Rep, 9, 2019
7P33
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BU of 7p33 by Molmil
Epstein-Barr virus encoded Bcl-2 homolog BHRF-1 in complex with Bid BH3 peptide
Descriptor: 1,2-ETHANEDIOL, Apoptosis regulator BHRF1, BH3-interacting domain death agonist p15, ...
Authors:Suraweera, C.D, Hinds, M.G, Kvansakul, M.
Deposit date:2021-07-07
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.78542733 Å)
Cite:Crystal Structures of Epstein-Barr Virus Bcl-2 Homolog BHRF1 Bound to Bid and Puma BH3 Motif Peptides.
Viruses, 14, 2022
7OQ9
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BU of 7oq9 by Molmil
Ternary complex of 14-3-3 sigma, Pin1pS72 phosphopeptide, and WQ136
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-06-02
Release date:2022-08-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7OQA
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BU of 7oqa by Molmil
Ternary complex of 14-3-3 sigma, Pin1pS72 phosphopeptide, and WQ162
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-06-02
Release date:2022-08-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7PEL
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BU of 7pel by Molmil
CryoEM structure of simian T-cell lymphotropic virus intasome in complex with PP2A regulatory subunit B56 gamma
Descriptor: DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), Isoform 3 of PC4 and SFRS1-interacting protein,Isoform Gamma-2 of Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit gamma isoform, ...
Authors:Barski, M, Pye, V.E, Nans, A, Cherepanov, P, Maertens, G.N.
Deposit date:2021-08-10
Release date:2021-08-25
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Cryo-EM structure of the deltaretroviral intasome in complex with the PP2A regulatory subunit B56gamma.
Nat Commun, 11, 2020
7PLO
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BU of 7plo by Molmil
H. sapiens replisome-CUL2/LRR1 complex
Descriptor: Cell division control protein 45 homolog, Claspin, Cullin-2, ...
Authors:Jones, M.J, Yeeles, J.T.P, Deegan, T.D, Jenkyn-Bedford, M.
Deposit date:2021-09-01
Release date:2021-11-10
Last modified:2023-10-18
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:A conserved mechanism for regulating replisome disassembly in eukaryotes.
Nature, 600, 2021
7PFO
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BU of 7pfo by Molmil
Core human replisome
Descriptor: Cell division control protein 45 homolog, Claspin, DNA polymerase epsilon catalytic subunit A, ...
Authors:Jones, M.J, Yeeles, J.T.P.
Deposit date:2021-08-11
Release date:2021-11-10
Last modified:2023-10-18
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of a human replisome shows the organisation and interactions of a DNA replication machine.
Embo J., 40, 2021
6M4S
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BU of 6m4s by Molmil
Crystal Structure Analysis of the cytochrome P450 CYP-Sb21
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Cytochrome P450 hydroxylase sb21, ...
Authors:Li, F.W, Li, S.Y.
Deposit date:2020-03-09
Release date:2021-02-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-guided manipulation of the regioselectivity of the cyclosporine A hydroxylase CYP-sb21 from Sebekia benihana .
Synth Syst Biotechnol, 5, 2020
5FIC
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BU of 5fic by Molmil
Open form of murine Acid Sphingomyelinase in presence of lipid
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gorelik, A, Illes, K, Heinz, L.X, Superti-Furga, G, Nagar, B.
Deposit date:2015-12-22
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of mammalian acid sphingomyelinase.
Nat Commun, 7, 2016
5FOS
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BU of 5fos by Molmil
HUMANISED MONOMERIC RADA IN COMPLEX WITH OLIGOMERISATION PEPTIDE
Descriptor: DNA REPAIR AND RECOMBINATION PROTEIN RADA, GLYCEROL, PHOSPHATE ION
Authors:Sharpe, T, Moschetti, T, Fischer, G, Marsh, M, Blundell, T.L, Abell, C, Hyvonen, M.
Deposit date:2015-11-26
Release date:2016-10-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
2W1M
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BU of 2w1m by Molmil
THE INTERDEPENDENCE OF WAVELENGTH, REDUNDANCY AND DOSE IN SULFUR SAD EXPERIMENTS: 2.070 A WAVELENGTH with 2theta 30 degrees data
Descriptor: CHLORIDE ION, LYSOZYME C, SODIUM ION
Authors:Cianci, M, Helliwell, J.R, Suzuki, A.
Deposit date:2008-10-17
Release date:2008-11-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:The Interdependence of Wavelength, Redundancy and Dose in Sulfur Sad Experiments.
Acta Crystallogr.,Sect.D, 64, 2008
5FI9
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BU of 5fi9 by Molmil
Closed form of murine Acid Sphingomyelinase in complex with bisphosphonate inhibitor AbPA
Descriptor: (1-azanyl-1-phosphono-decyl)phosphonic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gorelik, A, Illes, K, Heinz, L.X, Superti-Furga, G, Nagar, B.
Deposit date:2015-12-22
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.543 Å)
Cite:Crystal structure of mammalian acid sphingomyelinase.
Nat Commun, 7, 2016

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