PDB: 105044 resultsInfo pagesStatus searchChemie searchBIRD

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6RER	Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 3B, focussed refinement of F1 head and rotor Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ... Authors: Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W. Deposit date: 2019-04-12 Release date: 2019-07-03 Last modified: 2024-05-22 Method: ELECTRON MICROSCOPY (2.9 Å) Cite: Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling. Science, 364, 2019
6RDR	Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1D, monomer-masked refinement Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ASA-10: Polytomella F-ATP synthase associated subunit 10, ... Authors: Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W. Deposit date: 2019-04-12 Release date: 2019-07-03 Last modified: 2024-05-22 Method: ELECTRON MICROSCOPY (4.1 Å) Cite: Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling. Science, 364, 2019
6RE8	Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 2D, composite map Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ASA-10: Polytomella F-ATP synthase associated subunit 10, ... Authors: Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W. Deposit date: 2019-04-12 Release date: 2019-07-03 Last modified: 2024-05-22 Method: ELECTRON MICROSCOPY (3.8 Å) Cite: Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling. Science, 364, 2019
6RDS	Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1D, focussed refinement of F1 head and rotor Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ... Authors: Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W. Deposit date: 2019-04-12 Release date: 2019-07-03 Last modified: 2024-05-22 Method: ELECTRON MICROSCOPY (3.8 Å) Cite: Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling. Science, 364, 2019
6RDM	Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1B, focussed refinement of F1 head and rotor Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ... Authors: Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W. Deposit date: 2019-04-12 Release date: 2019-07-03 Last modified: 2024-05-22 Method: ELECTRON MICROSCOPY (3.44 Å) Cite: Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling. Science, 364, 2019
6RDV	Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1E, focussed refinement of F1 head and rotor Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ... Authors: Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W. Deposit date: 2019-04-12 Release date: 2019-07-03 Last modified: 2024-05-22 Method: ELECTRON MICROSCOPY (3.1 Å) Cite: Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling. Science, 364, 2019
6RDJ	Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1A, focussed refinement of F1 head and rotor Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ... Authors: Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W. Deposit date: 2019-04-12 Release date: 2019-07-03 Last modified: 2024-05-22 Method: ELECTRON MICROSCOPY (2.9 Å) Cite: Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling. Science, 364, 2019
6RDU	Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1E, monomer-masked refinement Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ASA-10: Polytomella F-ATP synthase associated subunit 10, ... Authors: Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W. Deposit date: 2019-04-12 Release date: 2019-07-03 Last modified: 2024-05-22 Method: ELECTRON MICROSCOPY (3.5 Å) Cite: Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling. Science, 364, 2019
6REC	Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 3A, monomer-masked refinement Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ASA-10: Polytomella F-ATP synthase associated subunit 10, ... Authors: Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W. Deposit date: 2019-04-12 Release date: 2019-07-03 Last modified: 2024-05-22 Method: ELECTRON MICROSCOPY (3.3 Å) Cite: Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling. Science, 364, 2019
6RE6	Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 2C, monomer-masked refinement Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ASA-10: Polytomella F-ATP synthase associated subunit 10, ... Authors: Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W. Deposit date: 2019-04-12 Release date: 2019-07-03 Last modified: 2024-05-22 Method: ELECTRON MICROSCOPY (3.4 Å) Cite: Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling. Science, 364, 2019
6RDX	Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1F, monomer-masked refinement Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ASA-10: Polytomella F-ATP synthase associated subunit 10, ... Authors: Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W. Deposit date: 2019-04-12 Release date: 2019-07-03 Last modified: 2024-05-22 Method: ELECTRON MICROSCOPY (3.9 Å) Cite: Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling. Science, 364, 2019
6RE4	Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 2B, focussed refinement of F1 head and rotor Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ... Authors: Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W. Deposit date: 2019-04-12 Release date: 2019-07-03 Last modified: 2024-05-22 Method: ELECTRON MICROSCOPY (3 Å) Cite: Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling. Science, 364, 2019
6REE	Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 3B, composite map Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ASA-10: Polytomella F-ATP synthase associated subunit 10, ... Authors: Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W. Deposit date: 2019-04-12 Release date: 2019-07-03 Last modified: 2024-05-22 Method: ELECTRON MICROSCOPY (3.1 Å) Cite: Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling. Science, 364, 2019
6RDI	Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1A, monomer-masked refinement Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ASA-10: Polytomella F-ATP synthase associated subunit 10, ... Authors: Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W. Deposit date: 2019-04-12 Release date: 2019-07-03 Last modified: 2024-05-22 Method: ELECTRON MICROSCOPY (3.2 Å) Cite: Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling. Science, 364, 2019
6RDN	Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1C, monomer-masked refinement Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ASA-10: Polytomella F-ATP synthase associated subunit 10, ... Authors: Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W. Deposit date: 2019-04-12 Release date: 2019-07-03 Last modified: 2024-05-22 Method: ELECTRON MICROSCOPY (3.2 Å) Cite: Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling. Science, 364, 2019
7UTC	Crystal structure of secondary alcohol dehydrogenases from the Thermoanaerobacter ethanolicus with NADP and transition-state analogue inhibitor DMSO Descriptor: DIMETHYL SULFOXIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Secondary-alcohol dehydrogenase, ... Authors: Dinh, T, Phillips, R. Deposit date: 2022-04-26 Release date: 2022-05-04 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Crystallographic snapshots of ternary complexes of thermophilic secondary alcohol dehydrogenase from Thermoanaerobacter pseudoethanolicus reveal the dynamics of ligand exchange and the proton relay network. Proteins, 90, 2022
7UX4	Crystallographic snapshots of ternary complexes of thermophilic secondary alcohol dehydrogenase from Thermoanaerobacter pseudoethanolicus reveal the dynamics of ligand exchange and the proton relay network. Descriptor: (1S,3S)-3-methylcyclohexan-1-ol, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... Authors: Phillips, R.S, Dinh, T. Deposit date: 2022-05-04 Release date: 2022-05-18 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (2.23 Å) Cite: Crystallographic snapshots of ternary complexes of thermophilic secondary alcohol dehydrogenase from Thermoanaerobacter pseudoethanolicus reveal the dynamics of ligand exchange and the proton relay network. Proteins, 90, 2022
9BW8	Structure of P450Blt from Micromonospora sp. MW-13 in Complex with Fluorinated Biarylitide Descriptor: Cytochrome P450-SU1, Fluorinated Biarylitide, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Hansen, M.H, Cryle, M.J, Zhao, Y. Deposit date: 2024-05-21 Release date: 2024-11-20 Last modified: 2024-11-27 Method: X-RAY DIFFRACTION (1.86 Å) Cite: Loss of fluorine during crosslinking by the biarylitide P450 Blt proceeds due to restricted peptide orientation. Chem.Commun.(Camb.), 60, 2024
8EG4	[iU:Ag+:iU] Metal-mediated DNA base pair in a self-assembling rhombohedral lattice Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*(5IU)P*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*(5IU)P*AP*CP*A*(AG))-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... Authors: Vecchioni, S, Lu, B, Seeman, N.C, Sha, R, Ohayon, Y.P. Deposit date: 2022-09-10 Release date: 2023-04-05 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (4.18 Å) Cite: Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction. Adv Mater, 35, 2023
8E4D	[U:Ag+:U] Metal-mediated DNA base pair in a self-assembling rhombohedral lattice Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*UP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... Authors: Vecchioni, S, Lu, B, Seeman, N.C, Sha, R, Ohayon, Y.P. Deposit date: 2022-08-18 Release date: 2023-04-05 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (4.19 Å) Cite: Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction. Adv Mater, 35, 2023
8E4E	[T:Ag+:T] Metal-mediated DNA base pair in a self-assembling rhombohedral lattice Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*TP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... Authors: Vecchioni, S, Lu, B, Seeman, N.C, Sha, R, Ohayon, Y.P. Deposit date: 2022-08-18 Release date: 2023-04-05 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (4.19 Å) Cite: Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction. Adv Mater, 35, 2023
9NWY	Discovery of MTA-cooperative PRMT5 Inhibitors from Co-factor directed DNA-Encoded Library Screens Descriptor: 2-amino-3-methyl-N-(2-methylpropyl)-N-{[5-(trifluoromethyl)pyridin-2-yl]methyl}quinoline-6-carboxamide, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, ... Authors: GhimireRijal, S, Mukund, S. Deposit date: 2025-03-24 Release date: 2025-05-07 Method: X-RAY DIFFRACTION (3.1 Å) Cite: From DNA-Encoded Library Screening to AM-9747 - an MTA-Cooperative PRMT5 Inhibitor with Potent Oral in vivo Efficacy To Be Published
8TQG	Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20419 Descriptor: N-benzyl-2-{4-[4-(4,5-dimethoxy-1H-indole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methylpyrimidine-4-carboxamide, Polyketide synthase Pks13, SULFATE ION Authors: Krieger, I.V, Sacchettini, J.C. Deposit date: 2023-08-07 Release date: 2024-04-24 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening. Acs Infect Dis., 10, 2024
3GQT	Crystal structure of glutaryl-CoA dehydrogenase from Burkholderia pseudomallei with fragment (1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methylamine Descriptor: 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine, Glutaryl-CoA dehydrogenase Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2009-03-24 Release date: 2009-04-28 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.99 Å) Cite: Probing conformational states of glutaryl-CoA dehydrogenase by fragment screening. Acta Crystallogr.,Sect.F, 67, 2011
8TQV	Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20403 Descriptor: 4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N-{[1-(methoxymethyl)cyclopropyl]methyl}-N-methylbenzamide, Polyketide synthase Pks13, SULFATE ION Authors: Krieger, I.V, Sacchettini, J.C. Deposit date: 2023-08-08 Release date: 2024-04-24 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2 Å) Cite: Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening. Acs Infect Dis., 10, 2024

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