PDB: 588 resultsInfo pagesStatus searchChemie searchBIRD

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5XD1	Crystal structure of Mycobacterium smegmatis MutT1 in complex with Ap5A, ATP and magnesium Descriptor: ADENOSINE-5'-PENTAPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... Authors: Arif, S.M, Varshney, U, Vijayan, M. Deposit date: 2017-03-24 Release date: 2017-08-09 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Hydrolysis of diadenosine polyphosphates. Exploration of an additional role of Mycobacterium smegmatis MutT1 J. Struct. Biol., 199, 2017
5WY6	Crystal structure of AtNUDX1 (E56A) Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Nudix hydrolase 1, ... Authors: Liu, J, Guan, Z, Yan, L, Zou, T, Yin, P. Deposit date: 2017-01-11 Release date: 2017-11-15 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.779 Å) Cite: Structural Insights into the Substrate Recognition Mechanism of Arabidopsis GPP-Bound NUDX1 for Noncanonical Monoterpene Biosynthesis. Mol Plant, 11, 2018
5WWD	Crystal structure of AtNUDX1 Descriptor: AMMONIUM ION, GLYCEROL, MAGNESIUM ION, ... Authors: Liu, J, Guan, Z, Yan, L, Zou, T, Yin, P. Deposit date: 2016-12-31 Release date: 2017-11-15 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.386 Å) Cite: Structural Insights into the Substrate Recognition Mechanism of Arabidopsis GPP-Bound NUDX1 for Noncanonical Monoterpene Biosynthesis. Mol Plant, 11, 2018
5WS7	Crystal structure of human MTH1(G2K/C87A/C104S mutant) in complex with 2-oxo-dATP Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, SODIUM ION, [[(2R,3S,5R)-5-(6-azanyl-2-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Authors: Nakamura, T, Waz, S, Hirata, K, Nakabeppu, Y, Yamagata, Y. Deposit date: 2016-12-05 Release date: 2017-01-04 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1 Å) Cite: Structural and Kinetic Studies of the Human Nudix Hydrolase MTH1 Reveal the Mechanism for Its Broad Substrate Specificity J. Biol. Chem., 292, 2017
5U7H	Ni-bound dihydroneopterin triphosphate pyrophosphohydrolase from E. coli Descriptor: Dihydroneopterin triphosphate diphosphatase, NICKEL (II) ION, SULFATE ION Authors: Nguyen, E, Hill, S.E, Lieberman, R.L. Deposit date: 2016-12-12 Release date: 2017-06-21 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2 Å) Cite: Metal ion coordination in the E. coli Nudix hydrolase dihydroneopterin triphosphate pyrophosphatase: New clues into catalytic mechanism. PLoS ONE, 12, 2017
5U7F	Co-bound dihydroneopterin triphosphate pyrophosphohydrolase from E. coli Descriptor: COBALT (II) ION, Dihydroneopterin triphosphate diphosphatase, SULFATE ION Authors: Nguyen, E, Hill, S.E, Lieberman, R.L. Deposit date: 2016-12-12 Release date: 2017-06-21 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.789 Å) Cite: Metal ion coordination in the E. coli Nudix hydrolase dihydroneopterin triphosphate pyrophosphatase: New clues into catalytic mechanism. PLoS ONE, 12, 2017
5U7E	Apo dihydroneopterin triphosphate pyrophosphohydrolase from E. coli Descriptor: Dihydroneopterin triphosphate diphosphatase, GLYCEROL, SULFATE ION Authors: Nguyen, E, Hill, S.E, Lieberman, R.L. Deposit date: 2016-12-12 Release date: 2017-06-21 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.942 Å) Cite: Metal ion coordination in the E. coli Nudix hydrolase dihydroneopterin triphosphate pyrophosphatase: New clues into catalytic mechanism. PLoS ONE, 12, 2017
5T3P	Crystal structure of Human Peroxisomal coenzyme A diphosphatase NUDT7 Descriptor: 1,2-ETHANEDIOL, Peroxisomal coenzyme A diphosphatase NUDT7 Authors: Srikannathasan, V, Nunez, C.A, Tallant, C, Siejka, P, Mathea, S, Kopec, J, Elkins, J.M, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Huber, K. Deposit date: 2016-08-26 Release date: 2017-09-13 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.03 Å) Cite: Crystal structure of Human Peroxisomal coenzyme A diphosphatase NUDT7 To Be Published
5QTS	PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with 8J-537S Descriptor: 1,2-ETHANEDIOL, 3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidin-4(3H)-one, ADP-sugar pyrophosphatase, ... Authors: Dubianok, Y, Krojer, T, Kovacs, H, Moriaud, F, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. Deposit date: 2019-08-14 Release date: 2019-12-25 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.85 Å) Cite: PanDDA analysis group deposition To Be Published
5QTR	PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with FS-3764 Descriptor: 1,2-ETHANEDIOL, 6-fluoroquinazolin-4(3H)-one, MAGNESIUM ION, ... Authors: Dubianok, Y, Krojer, T, Kovacs, H, Moriaud, F, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. Deposit date: 2019-10-31 Release date: 2019-12-25 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.55 Å) Cite: PanDDA analysis group deposition To Be Published
5QTQ	PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with FS-1169 Descriptor: 1,2-ETHANEDIOL, 5-fluoroquinazolin-4(3H)-one, ADP-sugar pyrophosphatase, ... Authors: Dubianok, Y, Krojer, T, Kovacs, H, Moriaud, F, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. Deposit date: 2019-08-14 Release date: 2019-12-25 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.82 Å) Cite: PanDDA analysis group deposition To Be Published
5QTP	PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with AE-0227 Descriptor: 1,2-ETHANEDIOL, 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonitrile, ADP-sugar pyrophosphatase, ... Authors: Dubianok, Y, Krojer, T, Kovacs, H, Moriaud, F, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. Deposit date: 2019-08-14 Release date: 2019-12-25 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.73 Å) Cite: PanDDA analysis group deposition To Be Published
5QTO	PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with 1R-0641 Descriptor: 1,2-ETHANEDIOL, 3-(difluoromethyl)-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridine, ADP-sugar pyrophosphatase, ... Authors: Dubianok, Y, Krojer, T, Kovacs, H, Moriaud, F, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. Deposit date: 2019-08-14 Release date: 2019-12-25 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.67 Å) Cite: PanDDA analysis group deposition To Be Published
5QTN	PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with SS-4432 Descriptor: 1,2-ETHANEDIOL, 5-fluoro-1H-pyrrolo[2,3-b]pyridine, ADP-sugar pyrophosphatase, ... Authors: Dubianok, Y, Krojer, T, Kovacs, H, Moriaud, F, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. Deposit date: 2019-08-14 Release date: 2019-12-25 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.83 Å) Cite: PanDDA analysis group deposition To Be Published
5QTM	PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with FS-2639 Descriptor: 1,2-ETHANEDIOL, 7-fluoroquinazolin-4(3H)-one, ADP-sugar pyrophosphatase, ... Authors: Dubianok, Y, Krojer, T, Kovacs, H, Moriaud, F, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. Deposit date: 2019-08-14 Release date: 2019-12-25 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.79 Å) Cite: PanDDA analysis group deposition To Be Published
5QTL	PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with GB-0804 Descriptor: 1,2-ETHANEDIOL, 4-(trifluoromethyl)pyrimidin-2-amine, CHLORIDE ION, ... Authors: Dubianok, Y, Krojer, T, Kovacs, H, Moriaud, F, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. Deposit date: 2019-10-31 Release date: 2019-12-25 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.73 Å) Cite: PanDDA analysis group deposition To Be Published
5QPC	Crystal Structure of DCP2 (NUDT20) after initial refinement with no ligand modelled (structure $n) Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ... Authors: Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F. Deposit date: 2019-02-22 Release date: 2019-05-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.66 Å) Cite: PanDDA analysis group deposition of ground-state model To Be Published
5QPB	PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with FMOPL000701a Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ... Authors: Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F. Deposit date: 2019-02-22 Release date: 2019-05-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.68 Å) Cite: PanDDA analysis group deposition To Be Published
5QPA	PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with FMOPL000449a Descriptor: 1,2-ETHANEDIOL, 1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide, ACETATE ION, ... Authors: Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F. Deposit date: 2019-02-22 Release date: 2019-05-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.61 Å) Cite: PanDDA analysis group deposition To Be Published
5QP9	PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z100435060 Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ... Authors: Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F. Deposit date: 2019-02-22 Release date: 2019-05-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.72 Å) Cite: PanDDA analysis group deposition To Be Published
5QP8	PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with PB1787571279 Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ... Authors: Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F. Deposit date: 2019-02-22 Release date: 2019-05-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.64 Å) Cite: PanDDA analysis group deposition To Be Published
5QP7	PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with PB1230873739 Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ... Authors: Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F. Deposit date: 2019-02-22 Release date: 2019-05-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.88 Å) Cite: PanDDA analysis group deposition To Be Published
5QP6	PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z1662802141 Descriptor: 1,2-ETHANEDIOL, 5-ethyl-N-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carboxamide, ACETATE ION, ... Authors: Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F. Deposit date: 2019-02-22 Release date: 2019-05-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.65 Å) Cite: PanDDA analysis group deposition To Be Published
5QP5	PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z2895259681 Descriptor: 1,2-ETHANEDIOL, 1-ethyl-N-[(4-fluorophenyl)methyl]-1H-imidazole-4-carboxamide, ACETATE ION, ... Authors: Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F. Deposit date: 2019-02-22 Release date: 2019-05-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.9 Å) Cite: PanDDA analysis group deposition To Be Published
5QP4	PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z450133538 Descriptor: 1,2-ETHANEDIOL, 1-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide, ACETATE ION, ... Authors: Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F. Deposit date: 2019-02-22 Release date: 2019-05-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.71 Å) Cite: PanDDA analysis group deposition To Be Published

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