PDB: 30476 resultsInfo pagesStatus searchChemie searchBIRD

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5QXM	PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF789 Descriptor: 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... Authors: Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. Deposit date: 2020-02-11 Release date: 2020-04-08 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.5 Å) Cite: PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening To Be Published
5QXL	PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF776 Descriptor: 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... Authors: Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. Deposit date: 2020-02-11 Release date: 2020-04-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.57 Å) Cite: PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening To Be Published
5QRO	PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z1506050651 Descriptor: (1S)-N,2,2-trimethyl-N-(pyridin-3-yl)cyclopropane-1-carboxamide, CADMIUM ION, T-box transcription factor T Authors: Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2019-05-25 Release date: 2019-07-10 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.61 Å) Cite: PanDDA analysis group deposition To Be Published
5QRR	PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z31720228 Descriptor: 2-(2-methyl-1,3-thiazol-4-yl)-1-(morpholin-4-yl)ethan-1-one, CADMIUM ION, T-box transcription factor T Authors: Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2019-05-25 Release date: 2019-07-10 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.69 Å) Cite: PanDDA analysis group deposition To Be Published
5QU9	PanDDA analysis group deposition of ground-state model of Kalirin/Rac1 screened against a customized urea fragment library by X-ray Crystallography at the XChem facility of Diamond Light Source beamline I04-1 Descriptor: 1,2-ETHANEDIOL, Kalirin, Ras-related C3 botulinum toxin substrate 1 Authors: Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F. Deposit date: 2019-12-13 Release date: 2020-01-29 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2 Å) Cite: PanDDA analysis group deposition of ground-state model To Be Published
5QRX	PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z364328788 Descriptor: 3-(acetylamino)-4-fluorobenzoic acid, CADMIUM ION, T-box transcription factor T Authors: Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2019-05-25 Release date: 2019-07-10 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.87 Å) Cite: PanDDA analysis group deposition To Be Published
5QXN	PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF826 Descriptor: (3aR,8S,9aS)-2-[(trifluoromethyl)sulfonyl]decahydro-3a,8-epoxypyrrolo[3,4-c]azocine, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... Authors: Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. Deposit date: 2020-02-11 Release date: 2020-04-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.41 Å) Cite: PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening To Be Published
5QS3	PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z198195770 Descriptor: CADMIUM ION, N-[3-(carbamoylamino)phenyl]acetamide, T-box transcription factor T Authors: Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2019-05-25 Release date: 2019-07-10 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.71 Å) Cite: PanDDA analysis group deposition To Be Published
5QXP	PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with TCJ732 Descriptor: 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... Authors: Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. Deposit date: 2020-02-11 Release date: 2020-04-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.41 Å) Cite: PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening To Be Published
5QSG	PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z2856434903 Descriptor: N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide, T-box transcription factor T Authors: Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2019-05-25 Release date: 2019-08-21 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.87 Å) Cite: PanDDA analysis group deposition To Be Published
5QXQ	PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with TCJ779 Descriptor: 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... Authors: Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. Deposit date: 2020-02-11 Release date: 2020-04-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.55 Å) Cite: PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening To Be Published
5QSZ	PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z1267773786 Descriptor: Cohesin subunit SA-1, N-ethyl-6-methylpyridazin-3-amine Authors: Newman, J.A, Katis, V.L, Gavard, A.E, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2019-05-25 Release date: 2019-08-21 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (3.08 Å) Cite: PanDDA analysis group deposition To Be Published
5QXR	PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF849 Descriptor: 1,2-ETHANEDIOL, 1-[(4aS,7aS,9S)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazol-6(5H)-yl]ethan-1-one, ATPase family AAA domain-containing protein 2, ... Authors: Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. Deposit date: 2020-02-11 Release date: 2020-04-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.66 Å) Cite: PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening To Be Published
5QT6	T. brucei FPPS in complex with CID 112445 Descriptor: 6-methyl-~{N}-(phenylmethyl)pyridin-2-amine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... Authors: Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. Deposit date: 2019-08-07 Release date: 2020-10-07 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.189 Å) Cite: T. brucei FPPS in complex with CID 112445 To Be Published
5QXO	PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF848 Descriptor: 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... Authors: Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. Deposit date: 2020-02-11 Release date: 2020-04-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.47 Å) Cite: PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening To Be Published
7TDJ	Rabbit RyR1 with AMP-PCP and high Ca2+ embedded in nanodisc in closed-inactivated conformation class 1(Dataset-A) Descriptor: CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Ryanodine receptor 1,Ryanodine receptor 1,RyR1, ... Authors: Nayak, A.R, Samso, M. Deposit date: 2021-12-31 Release date: 2022-03-09 Last modified: 2022-03-16 Method: ELECTRON MICROSCOPY (3.7 Å) Cite: Ca 2+ -inactivation of the mammalian ryanodine receptor type 1 in a lipidic environment revealed by cryo-EM. Elife, 11, 2022
5QND	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure H7_2) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2020-07-22 Method: X-RAY DIFFRACTION (1.899 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QXS	PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF852 Descriptor: (4aR,7aR,9R)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazole-6(5H)-carbaldehyde, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... Authors: Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. Deposit date: 2020-03-09 Release date: 2020-04-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.62 Å) Cite: PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening To Be Published
5QXU	PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with RZ373 Descriptor: (3S,6S)-N~3~-cyclopropyl-N~1~-(cyclopropylmethyl)-3,6-dimethylpiperazine-1,3-dicarboxamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... Authors: Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. Deposit date: 2020-02-11 Release date: 2020-04-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.65 Å) Cite: PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening To Be Published
5QNT	Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA after initial refinement (apo_dataset_2) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2020-07-22 Method: X-RAY DIFFRACTION (1.747 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QXW	PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with RZ189 Descriptor: (5R)-N-benzyl-5-ethyl-1-methyl-1,4-diazepane-5-carboxamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... Authors: Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. Deposit date: 2020-02-11 Release date: 2020-04-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.78 Å) Cite: PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening To Be Published
5QXT	PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with JKH47 Descriptor: 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... Authors: Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. Deposit date: 2020-02-11 Release date: 2020-04-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.55 Å) Cite: PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening To Be Published
5QO9	Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA after initial refinement (apo_dataset_4) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2020-07-22 Method: X-RAY DIFFRACTION (1.59 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
7TDG	Rabbit RyR1 with AMP-PCP and high Ca2+ embedded in nanodisc in inactivated conformation (Dataset-A) Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... Authors: Nayak, A.R, Samso, M. Deposit date: 2021-12-31 Release date: 2022-03-09 Last modified: 2022-03-16 Method: ELECTRON MICROSCOPY (3.8 Å) Cite: Ca 2+ -inactivation of the mammalian ryanodine receptor type 1 in a lipidic environment revealed by cryo-EM. Elife, 11, 2022
5QXV	PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with PC631 Descriptor: (3aR,10R,10aR,11aR)-1,2,3,5,10,10a,11,11a-octahydro-3a,10-ethanopyrrolo[3',4':4,5]pyrrolo[1,2-b]isoquinolin-13-one, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... Authors: Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. Deposit date: 2020-02-11 Release date: 2020-04-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.74 Å) Cite: PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening To Be Published

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