8W13
 
 | | Crystal structure of MYST acetyltransferase domain in complex with N-(1-(5-bromo-2-methoxyphenyl)-1H-1,2,3-triazol-4-yl)-2-methoxybenzenesulfonamide | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Histone acetyltransferase KAT8, ... | | Authors: | Chen, C, Dou, Y, Wang, M, Xu, C, Buesking, A. | | Deposit date: | 2024-02-15 | | Release date: | 2024-09-11 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Identification of triazolyl KAT6 inhibitors via a templated fragment approach.
Bioorg.Med.Chem.Lett., 113, 2024
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8VXN
 | | Human Bcl-2/Bcl-xL Chimera Fused to Maltose-Binding Protein | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein fused to apoptosis regulator Bcl-2/Bcl-xL chimera | | Authors: | Baird, J, Holliday, M. | | Deposit date: | 2024-02-05 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Complementary Backbone and Side-Chain Analysis of Drug-Protein Interactions: Combining Hydrogen/Deuterium Exchange and Protein Oxidative Footprinting to Discriminate the Binding of Small Molecule Therapeutics
To Be Published
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12CA
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1AEE
 | | SPECIFICITY OF LIGAND BINDING TO A BURIED POLAR CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE (ANILINE) | | Descriptor: | ANILINE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Musah, R.A, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B. | | Deposit date: | 1997-02-24 | | Release date: | 1997-09-04 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Artificial protein cavities as specific ligand-binding templates: characterization of an engineered heterocyclic cation-binding site that preserves the evolved specificity of the parent protein.
J.Mol.Biol., 315, 2002
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7VUW
 | | Bovine heart cytochrome c oxidase in the cyanide-bound fully oxidized state at 50 K | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Shimada, A, Tsukihara, T. | | Deposit date: | 2021-11-04 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystallographic cyanide-probing for cytochrome c oxidase reveals structural bases suggesting that a putative proton transfer H-pathway pumps protons.
J.Biol.Chem., 299, 2023
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1AEU
 | | SPECIFICITY OF LIGAND BINDING IN A POLAR CAVITY OF CYTOCHROME C PEROXIDASE (2-METHYLIMIDAZOLE) | | Descriptor: | 2-METHYLIMIDAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Musah, R.A, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B. | | Deposit date: | 1997-02-25 | | Release date: | 1997-09-04 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity.
Nat.Struct.Biol., 3, 1996
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8VDO
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8VDP
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1AFR
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8VDQ
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7WLH
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8VJL
 | | SpoIVFB:pro-sigmaK complex | | Descriptor: | DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Lauryl Maltose Neopentyl Glycol, RNA polymerase sigma factor, ... | | Authors: | Orlando, M.A, Pouillon, H.J.T, Mandal, S, Kroos, L, Orlando, B.J. | | Deposit date: | 2024-01-07 | | Release date: | 2024-10-02 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Substrate engagement by the intramembrane metalloprotease SpoIVFB.
Nat Commun, 15, 2024
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8V0H
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8VXM
 | | Human Bcl-2/Bcl-xL Chimera Fused to MBP in Complex with Inhibitor S55746 | | Descriptor: | DI(HYDROXYETHYL)ETHER, Maltose/maltodextrin-binding periplasmic protein fused to apoptosis regulator Bcl-2/Bcl-xL chimera, ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide | | Authors: | Baird, J, Holliday, M. | | Deposit date: | 2024-02-05 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Complementary Backbone and Side-Chain Analysis of Drug-Protein Interactions: Combining Hydrogen/Deuterium Exchange and Protein Oxidative Footprinting to Discriminate the Binding of Small Molecule Therapeutics
To Be Published
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8VIZ
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7WSV
 | | Cryo-EM structure of the N-terminal deletion mutant of human pannexin-1 in a nanodisc | | Descriptor: | Pannexin-1 | | Authors: | Kuzuya, M, Hirano, H, Hayashida, K, Watanabe, M, Kobayashi, K, Tani, K, Fujiyoshi, Y, Oshima, A. | | Deposit date: | 2022-02-01 | | Release date: | 2022-02-16 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Structures of human pannexin-1 in nanodiscs reveal gating mediated by dynamic movement of the N terminus and phospholipids.
Sci.Signal., 15, 2022
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8VWZ
 | | Human Bcl-2 (G101V Mutant)/Bcl-xL Chimera Fused to MBP in Complex with Inhibitor S55746 | | Descriptor: | DI(HYDROXYETHYL)ETHER, Maltose/maltodextrin-binding periplasmic protein fused to apoptosis regulator Bcl-2/Bcl-xL chimera, ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide | | Authors: | Baird, J, Holliday, M. | | Deposit date: | 2024-02-02 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Complementary Backbone and Side-Chain Analysis of Drug-Protein Interactions: Combining Hydrogen/Deuterium Exchange and Protein Oxidative Footprinting to Discriminate the Binding of Small Molecule Therapeutics
To Be Published
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8VDR
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8VDG
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8VJM
 | | SpoIVFB(E44Q variant):pro-sigmaK complex | | Descriptor: | DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Lauryl Maltose Neopentyl Glycol, RNA polymerase sigma-K factor, ... | | Authors: | Orlando, M.A, Pouillon, H.J.T, Mandal, S, Kroos, L, Orlando, B.J. | | Deposit date: | 2024-01-07 | | Release date: | 2024-10-02 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Substrate engagement by the intramembrane metalloprotease SpoIVFB.
Nat Commun, 15, 2024
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8VDF
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7X08
 | | S protein of SARS-CoV-2 in complex with 2G1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ... | | Authors: | Guo, Y.Y, Zhang, Y.Y, Zhou, Q. | | Deposit date: | 2022-02-21 | | Release date: | 2022-03-09 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Broad ultra-potent neutralization of SARS-CoV-2 variants by monoclonal antibodies specific to the tip of RBD.
Cell Discov, 8, 2022
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8V5T
 | | Crystal structure of Alzheimers disease phospholipase D3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-3' exonuclease PLD3, GLYCEROL, ... | | Authors: | Ishii, K, Hermans, S.J, Nero, T.L, Gorman, M.A, Parker, M.W. | | Deposit date: | 2023-12-01 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of Alzheimer's disease phospholipase D3 provides a molecular basis for understanding its normal and pathological functions.
Febs J., 2024
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1AJR
 | | REFINEMENT AND COMPARISON OF THE CRYSTAL STRUCTURES OF PIG CYTOSOLIC ASPARTATE AMINOTRANSFERASE AND ITS COMPLEX WITH 2-METHYLASPARTATE | | Descriptor: | ASPARTATE AMINOTRANSFERASE | | Authors: | Rhee, S, Silva, M.M, Hyde, C.C, Rogers, P.H, Metzler, C.M, Metzler, D.E, Arnone, A. | | Deposit date: | 1997-05-08 | | Release date: | 1997-08-20 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Refinement and comparisons of the crystal structures of pig cytosolic aspartate aminotransferase and its complex with 2-methylaspartate.
J.Biol.Chem., 272, 1997
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8VKH
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