PDB: 2718 resultsInfo pagesStatus searchChemie searchBIRD

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3N45	Human FPPS complex with FBS_04 and zoledronic acid/MG2+ Descriptor: (2S)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, ... Authors: Rondeau, J.-M. Deposit date: 2010-05-21 Release date: 2010-08-18 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.88 Å) Cite: Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. Nat.Chem.Biol., 6, 2010
3N5H	Human fpps complex with NOV_304 Descriptor: 3-(carboxymethyl)-4,7-dichloro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION Authors: Rondeau, J.-M. Deposit date: 2010-05-25 Release date: 2010-08-18 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. Nat.Chem.Biol., 6, 2010
3N6K	Human FPPS complex with NOV_823 Descriptor: 1-(carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION Authors: Rondeau, J.-M. Deposit date: 2010-05-26 Release date: 2010-08-18 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. Nat.Chem.Biol., 6, 2010
3N5J	Human fpps complex with NOV_311 Descriptor: 3-(carboxymethyl)-5,7-dichloro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION Authors: Rondeau, J.-M. Deposit date: 2010-05-25 Release date: 2010-08-18 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.35 Å) Cite: Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. Nat.Chem.Biol., 6, 2010
3N46	Human FPPS complex with NOV_980 and zoledronic acid/MG2+ Descriptor: (2R)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, ... Authors: Rondeau, J.-M. Deposit date: 2010-05-21 Release date: 2010-08-18 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.35 Å) Cite: Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. Nat.Chem.Biol., 6, 2010
5R8D	PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z1745658474 in complex with INTERLEUKIN-1 BETA Descriptor: 2-(trifluoromethyl)pyrimidine-5-carboxamide, Interleukin-1 beta, SULFATE ION Authors: De Nicola, G.F, Nichols, C.E. Deposit date: 2020-03-03 Release date: 2020-04-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.47 Å) Cite: Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
5R8I	PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z210803634 in complex with INTERLEUKIN-1 BETA Descriptor: (1~{R})-1-(4-ethoxyphenyl)ethanamine, Interleukin-1 beta, SULFATE ION Authors: De Nicola, G.F, Nichols, C.E. Deposit date: 2020-03-03 Release date: 2020-04-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.47 Å) Cite: Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
8A6U	PcIDS1 in complex with Mg2+ Descriptor: Isoprenyl diphosphate synthase, MAGNESIUM ION Authors: Ecker, F, Boland, W, Groll, M. Deposit date: 2022-06-20 Release date: 2023-05-31 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
8A7K	PcIDS1 in complex with Mg2+/Mn2+, IPP, and ZOL Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ... Authors: Ecker, F, Boland, W, Groll, M. Deposit date: 2022-06-21 Release date: 2023-05-31 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
8A6V	PcIDS1 in complex with Mg2+ and IPP Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Isoprenyl diphosphate synthase, MAGNESIUM ION Authors: Ecker, F, Boland, W, Groll, M. Deposit date: 2022-06-20 Release date: 2023-05-31 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
8A7A	PcIDS1 in complex with Mg2+ and 3-Br-GPP Descriptor: Isoprenyl diphosphate synthase, MAGNESIUM ION, [(2Z)-3-bromanyl-7-methyl-octa-2,6-dienyl] phosphono hydrogen phosphate Authors: Ecker, F, Boland, W, Groll, M. Deposit date: 2022-06-20 Release date: 2023-05-31 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
8A7L	PcIDS1 in complex with Mg2+, GPP, and ZOL Descriptor: GERANYL DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ... Authors: Ecker, F, Boland, W, Groll, M. Deposit date: 2022-06-21 Release date: 2023-05-31 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
8A7C	PcIDS1 in complex with Mg2+, IPP, and ZOL Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ... Authors: Ecker, F, Boland, W, Groll, M. Deposit date: 2022-06-20 Release date: 2023-05-31 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
8A7J	PcIDS1 in complex with Mn2+, IPP, and ZOL Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ... Authors: Ecker, F, Boland, W, Groll, M. Deposit date: 2022-06-21 Release date: 2023-05-31 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
8A7R	PcIDS1_I420A in complex with Mg2+ and GPP Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GERANYL DIPHOSPHATE, GLYCEROL, ... Authors: Ecker, F, Boland, W, Groll, M. Deposit date: 2022-06-21 Release date: 2023-05-31 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2 Å) Cite: Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
8A7U	PcIDS1_F315D in complex with Mg2+ and GPP Descriptor: GERANYL DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ... Authors: Ecker, F, Boland, F, Groll, M. Deposit date: 2022-06-21 Release date: 2023-05-31 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
8A6Z	PcIDS1 in complex with Mn2+ and IPP Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ... Authors: Ecker, F, Boland, W, Groll, M. Deposit date: 2022-06-20 Release date: 2023-05-31 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
8A73	PcIDS1 in complex with Mn2+ and GPP Descriptor: GERANYL DIPHOSPHATE, Isoprenyl diphosphate synthase, MAGNESIUM ION, ... Authors: Ecker, F, Boland, W, Groll, M. Deposit date: 2022-06-20 Release date: 2023-05-31 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
8A7B	PcIDS1_D319N in complex with Mg2+ and 3-Br-GPP Descriptor: CARBONATE ION, GLYCEROL, Isoprenyl diphosphate synthase, ... Authors: Ecker, F, Boland, W, Groll, M. Deposit date: 2022-06-20 Release date: 2023-05-31 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
8A78	PcIDS1_F315A in complex with Mg2+/Mn2+ and GPP Descriptor: GERANYL DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ... Authors: Ecker, F, Boland, W, Groll, M. Deposit date: 2022-06-20 Release date: 2023-05-31 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
8A70	PcIDS1 in complex with Mg2+ and GPP Descriptor: GERANYL DIPHOSPHATE, Isoprenyl diphosphate synthase, MAGNESIUM ION Authors: Ecker, F, Boland, W, Groll, M. Deposit date: 2022-06-20 Release date: 2023-05-31 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
8A74	PcIDS1_F315A in complex with Mg2+ and GPP Descriptor: GERANYL DIPHOSPHATE, Isoprenyl diphosphate synthase, MAGNESIUM ION Authors: Ecker, F, Boland, W, Groll, M. Deposit date: 2022-06-20 Release date: 2023-05-31 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
2W07	Structural determinants of polymerization reactivity of the P pilus adaptor subunit PapF Descriptor: CHAPERONE PROTEIN PAPD, MINOR PILIN SUBUNIT PAPF, SULFATE ION Authors: Verger, D, Rose, R.J, Paci, E, Costakes, G, Daviter, T, Hultgren, S, Remaut, H, Ashcroft, A.E, Radford, S.E, Waksman, G. Deposit date: 2008-08-12 Release date: 2008-11-25 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structural Determinants of Polymerization Reactivity of the P Pilus Adaptor Subunit Papf. Structure, 16, 2008
4DEP	Structure of the IL-1b signaling complex Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-1 beta, Interleukin-1 receptor accessory protein, ... Authors: Thomas, C, Garcia, K.C. Deposit date: 2012-01-21 Release date: 2012-03-21 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Structure of the activating IL-1 receptor signaling complex. Nat.Struct.Mol.Biol., 19, 2012
5EUL	Structure of the SecA-SecY complex with a translocating polypeptide substrate Descriptor: ADENOSINE-5'-DIPHOSPHATE, AYC08, BERYLLIUM TRIFLUORIDE ION, ... Authors: Li, L, Park, E, Ling, J, Ingram, J, Ploegh, H, Rapoport, T.A. Deposit date: 2015-11-18 Release date: 2016-03-09 Last modified: 2019-12-25 Method: X-RAY DIFFRACTION (3.7 Å) Cite: Crystal structure of a substrate-engaged SecY protein-translocation channel. Nature, 531, 2016

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