8Q3V
 
 | | Cryo-EM structure of the methanogenic Na+ translocating N5-methyl-H4MPT:CoM methyltransferase complex | | Descriptor: | MAGNESIUM ION, SODIUM ION, Tetrahydromethanopterin S-methyltransferase subunit A 1, ... | | Authors: | Aziz, I, Vonck, J, Ermler, U. | | Deposit date: | 2023-08-04 | | Release date: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.08 Å) | | Cite: | Structural and mechanistic basis of the central energy-converting methyltransferase complex of methanogenesis.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8Q3U
 | | Crystal structure of a fentanyl derivative in complex with human CA VII | | Descriptor: | Carbonic anhydrase 7, GLYCEROL, ZINC ION, ... | | Authors: | Alterio, V, Di Fiore, A, De Simone, G. | | Deposit date: | 2023-08-04 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Discovery of a novel series of potent carbonic anhydrase inhibitors with selective affinity for mu Opioid receptor for Safer and long-lasting analgesia.
Eur.J.Med.Chem., 260, 2023
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8Q3H
 | | Capra hircus reactive intermediate deaminase A mutant - A108D | | Descriptor: | 1,2-ETHANEDIOL, 2-iminobutanoate/2-iminopropanoate deaminase, GLYCEROL | | Authors: | Rizzi, G, Visentin, C, Di Pisa, F, Ricagno, S. | | Deposit date: | 2023-08-04 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Capra hircus reactive intermediate deaminase A mutant - A108D
To Be Published
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8Q3C
 | | Structure of Selenomonas ruminantium lactate dehydrogenase I85R mutant | | Descriptor: | CHLORIDE ION, L-lactate dehydrogenase, NITRATE ION, ... | | Authors: | Bertrand, Q, Coquille, S, Iorio, A, Sterpone, F, Madern, D. | | Deposit date: | 2023-08-03 | | Release date: | 2023-11-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Biochemical, structural and dynamical characterizations of the lactate dehydrogenase from Selenomonas ruminantium provide information about an intermediate evolutionary step prior to complete allosteric regulation acquisition in the super family of lactate and malate dehydrogenases.
J.Struct.Biol., 215, 2023
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8Q34
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the ligand ZZ001229a | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(1~{H}-imidazo[4,5-b]pyridin-2-ylmethyl)-3-(3-methyl-1,2-diazirin-3-yl)propanamide | | Authors: | MacLean, E.M, Gao, Q, Williams, E, Balcomb, B.H, von Delft, F, Bajusz, D, Keeley, A, Abranyi-Balogh, P, Koekemoer, L, Keseru, G.M. | | Deposit date: | 2023-08-03 | | Release date: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Mapping protein binding sites by photoreactive fragment pharmacophores
Res Sq, 2023
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8Q2P
 | | Structure of the membrane integral lipoprotein N-acyltransferase Lnt from E. coli by using Se-MAG for the the lipid cubic phase crystallization | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, Apolipoprotein N-acyltransferase, ... | | Authors: | Huang, C.-Y, Boland, C, Kaki, S.S, Wang, M, Olieric, V, Caffrey, M. | | Deposit date: | 2023-08-03 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Se-MAG Is a Convenient Additive for Experimental Phasing and Structure Determination of Membrane Proteins Crystallised by the Lipid Cubic Phase (In Meso) Method
Crystals, 2023
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8Q2M
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8Q2D
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8Q2C
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8Q2B
 | | E. coli Adenylate Kinase variant D158A (AK D158A) showing significant changes to the stacking of catalytic arginine side chains | | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ... | | Authors: | Sauer, U.H, Wolf-Watz, M, Nam, K. | | Deposit date: | 2023-08-01 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Elucidating Dynamics of Adenylate Kinase from Enzyme Opening to Ligand Release.
J.Chem.Inf.Model., 64, 2024
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8Q25
 | | Outward-facing, open1 proteoliposome complex I at 2.8 A, after deactivation treatment. Initially purified in LMNG. | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Grba, D.N, Hirst, J. | | Deposit date: | 2023-08-01 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I.
Science, 384, 2024
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8Q1Y
 | | Outward-facing, open2 proteoliposome complex I at 2.6 A, after deactivation treatment. Initially purified in LMNG. | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Grba, D.N, Hirst, J. | | Deposit date: | 2023-08-01 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I.
Science, 384, 2024
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8Q1U
 | | Inward-facing, open1 proteoliposome complex I at 3.3 A, after deactivation treatment. Initially purified in LMNG. | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Grba, D.N, Hirst, J. | | Deposit date: | 2023-08-01 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I.
Science, 384, 2024
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8Q1S
 | | Pathogenic mutations of human phosphorylation sites affect protein-protein interactions | | Descriptor: | 1,2-ETHANEDIOL, 14-3-3 protein epsilon, BROMIDE ION, ... | | Authors: | Roske, Y, Daumke, O, Rrustemi, T, Selbach, M. | | Deposit date: | 2023-08-01 | | Release date: | 2024-02-21 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (3.23 Å) | | Cite: | Pathogenic mutations of human phosphorylation sites affect protein-protein interactions.
Nat Commun, 15, 2024
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8Q1P
 | | Inward-facing, open2 proteoliposome complex I at 2.9 A, after deactivation treatment. Initially purified in LMNG. | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Grba, D.N, Hirst, J. | | Deposit date: | 2023-08-01 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I.
Science, 384, 2024
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8Q1A
 | | The Crystal Structure of Human Carbonic Anhydrase IX in Complex with inhibitor | | Descriptor: | 1,1,3-tris(oxidanylidene)-2-pentyl-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ... | | Authors: | Leitans, J, Tars, K. | | Deposit date: | 2023-07-31 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX.
Chemmedchem, 18, 2023
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8Q19
 | | The Crystal Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide | | Descriptor: | 2-but-2-ynyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ... | | Authors: | Leitans, J, Tars, K. | | Deposit date: | 2023-07-31 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX.
Chemmedchem, 18, 2023
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8Q18
 | | The Crystal Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide | | Descriptor: | 1,1,3-tris(oxidanylidene)-2-(2-phenylethyl)-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ... | | Authors: | Leitans, J, Tars, K. | | Deposit date: | 2023-07-31 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX.
Chemmedchem, 18, 2023
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8Q17
 | | Identification and optimisation of novel inhibitors of the Polyketide synthetase 13 thioesterase domain with antitubercular activity | | Descriptor: | (2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol, GLYCEROL, Polyketide synthase Pks13, ... | | Authors: | Eadsforth, T.C, Punekar, A.S, Green, S.R, Baragana, B. | | Deposit date: | 2023-07-30 | | Release date: | 2023-11-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Identification and Optimization of Novel Inhibitors of the Polyketide Synthase 13 Thioesterase Domain with Antitubercular Activity.
J.Med.Chem., 66, 2023
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8Q0S
 | | X-ray structure of the single chain monellin derivative MNEI | | Descriptor: | ACETATE ION, GLYCEROL, Monellin chain B,Monellin chain A, ... | | Authors: | Ferraro, G, Merlino, A, Lucignano, R, Picone, D. | | Deposit date: | 2023-07-29 | | Release date: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Structural insights and aggregation propensity of a super-stable monellin mutant: A new potential building block for protein-based nanostructured materials.
Int.J.Biol.Macromol., 254, 2024
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8Q0Q
 | | Outward-facing, slack proteoliposome complex I at 3.6 A. Initially purified in DDM | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Grba, D.N, Hirst, J. | | Deposit date: | 2023-07-28 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I.
Science, 384, 2024
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8Q0P
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8Q0O
 | | Outward-facing, open2 proteoliposome complex I at 3.1 A. Initially purified in DDM. | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Grba, D.N, Hirst, J. | | Deposit date: | 2023-07-28 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I.
Science, 384, 2024
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8Q0M
 | | Outward-facing, closed proteoliposome complex I at 3.1 A. Initially purified in DDM. | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Grba, D.N, Hirst, J. | | Deposit date: | 2023-07-28 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I.
Science, 384, 2024
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8Q0J
 | | Inward-facing, slack proteoliposome complex I at 3.8 A. Initially purified in DDM. | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Grba, D.N, Hirst, J. | | Deposit date: | 2023-07-28 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I.
Science, 384, 2024
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