8EUA
 
 | | Structure of SARS-CoV2 PLpro bound to a covalent inhibitor | | Descriptor: | Papain-like protease nsp3, SULFATE ION, ZINC ION, ... | | Authors: | Mathews, I.I, Pokhrel, S, Wakatsuki, S. | | Deposit date: | 2022-10-18 | | Release date: | 2023-04-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Potent and selective covalent inhibition of the papain-like protease from SARS-CoV-2.
Nat Commun, 14, 2023
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8EU8
 | | Cryo-EM structure of CH848 10.17DT DS-SOSIP-2P Env | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CH848 10.17DT SOSIP Envelope glycoprotein gp160 | | Authors: | Wrapp, D, Acharya, P, Haynes, B.F. | | Deposit date: | 2022-10-18 | | Release date: | 2023-01-04 | | Last modified: | 2023-02-08 | | Method: | ELECTRON MICROSCOPY (3.73 Å) | | Cite: | Structure-Based Stabilization of SOSIP Env Enhances Recombinant Ectodomain Durability and Yield.
J.Virol., 97, 2023
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8EU3
 | | Cryo-EM structure of cGMP bound human CNGA3/CNGB3 channel in GDN, transition state 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel alpha-3, ... | | Authors: | Hu, Z, Zheng, X, Yang, J. | | Deposit date: | 2022-10-18 | | Release date: | 2023-08-02 | | Method: | ELECTRON MICROSCOPY (3.62 Å) | | Cite: | Conformational trajectory of allosteric gating of the human cone photoreceptor cyclic nucleotide-gated channel.
Nat Commun, 14, 2023
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8EU2
 | | Class3 of the INO80-Hexasome complex | | Descriptor: | DNA (110-MER), Histone H2A type 1, Histone H2B 1.1, ... | | Authors: | Wu, H, Munoz, E, Gourdet, M, Cheng, Y.F, Narlikar, G. | | Deposit date: | 2022-10-18 | | Release date: | 2023-07-12 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility.
Science, 381, 2023
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8EU1
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8ETZ
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8ETY
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8ETX
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8ETV
 | | Class2 of the INO80-Hexasome complex | | Descriptor: | DNA (110-MER), Histone H2A type 1, Histone H2B 1.1, ... | | Authors: | Wu, H, Munoz, E, Gourdet, M, Cheng, Y.F, Narlikar, G. | | Deposit date: | 2022-10-17 | | Release date: | 2023-07-12 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility.
Science, 381, 2023
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8ETT
 | | Class1 of the INO80-Hexasome complex | | Descriptor: | DNA (110-MER), Histone H2A type 1, Histone H2B 1.1, ... | | Authors: | Wu, H, Munoz, E, Gourdet, M, Cheng, Y.F, Narlikar, G. | | Deposit date: | 2022-10-17 | | Release date: | 2023-07-12 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (6.68 Å) | | Cite: | Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility.
Science, 381, 2023
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8ETP
 | | Cryo-EM structure of cGMP bound closed state of human CNGA3/CNGB3 channel in GDN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel alpha-3, ... | | Authors: | Hu, Z, Zheng, X, Yang, J. | | Deposit date: | 2022-10-17 | | Release date: | 2023-08-02 | | Method: | ELECTRON MICROSCOPY (3.52 Å) | | Cite: | Conformational trajectory of allosteric gating of the human cone photoreceptor cyclic nucleotide-gated channel.
Nat Commun, 14, 2023
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8ETO
 | | Co-crystal structure of Chaetomium glucosidase with compound 25 | | Descriptor: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-{[(5Z)-6-{[2-nitro-4-(2H-1,2,3-triazol-2-yl)phenyl]amino}hex-5-en-1-yl]amino}cyclohexane-1,2,3,4-tetrol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Karade, S.S, Mariuzza, R.A. | | Deposit date: | 2022-10-17 | | Release date: | 2023-02-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
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8ETN
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8ETL
 | | Co-crystal structure of Chaetomium glucosidase with compound 24 | | Descriptor: | (1S,2S,3R,4S,5S)-5-(butylamino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Chaetomium alpha glucosidase, ... | | Authors: | Karade, S.S, Mariuzza, R.A. | | Deposit date: | 2022-10-17 | | Release date: | 2023-02-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
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8ET8
 | | Cryo-EM structure of the organic cation transporter 1 in complex with verapamil | | Descriptor: | (2S)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, OCT1 | | Authors: | Suo, Y, Wright, N.J, Lee, S.-Y. | | Deposit date: | 2022-10-16 | | Release date: | 2023-05-31 | | Last modified: | 2023-08-02 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Molecular basis of polyspecific drug and xenobiotic recognition by OCT1 and OCT2.
Nat.Struct.Mol.Biol., 30, 2023
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8ESZ
 | | Structure of mitochondrial complex I from Drosophila melanogaster, Helix-locked state | | Descriptor: | (2R)-3-{[(S)-hydroxy(3-methylbutoxy)phosphoryl]oxy}-2-(octanoyloxy)propyl decanoate, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ... | | Authors: | Padavannil, A, Letts, J.A. | | Deposit date: | 2022-10-15 | | Release date: | 2023-03-29 | | Last modified: | 2023-04-05 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Resting mitochondrial complex I from Drosophila melanogaster adopts a helix-locked state.
Elife, 12, 2023
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8ESY
 | | D30N mutant HIV protease in complex with benzoxaborolone analog of darunavir | | Descriptor: | CHLORIDE ION, GLYCEROL, Protease, ... | | Authors: | Windsor, I.W, Graham, B.J, Raines, R.T. | | Deposit date: | 2022-10-15 | | Release date: | 2023-02-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Inhibition of HIV-1 Protease by a Boronic Acid with High Oxidative Stability.
Acs Med.Chem.Lett., 14, 2023
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8ESX
 | | HIV protease in complex with benzoxaborolone analog of darunavir | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Windsor, I.W, Graham, B.J, Raines, R.T. | | Deposit date: | 2022-10-15 | | Release date: | 2023-02-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Inhibition of HIV-1 Protease by a Boronic Acid with High Oxidative Stability.
Acs Med.Chem.Lett., 14, 2023
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8ESW
 | | Structure of mitochondrial complex I from Drosophila melanogaster, Flexible-class 1 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Padavannil, A, Letts, J.A. | | Deposit date: | 2022-10-15 | | Release date: | 2023-03-29 | | Last modified: | 2023-04-05 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Resting mitochondrial complex I from Drosophila melanogaster adopts a helix-locked state.
Elife, 12, 2023
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8ESV
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8ESU
 | | Myoglobin variant Mb-imi complex | | Descriptor: | IMIDAZOLE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Bacik, J.P, Fasan, R, Ando, N. | | Deposit date: | 2022-10-14 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Mechanistic manifold in a hemoprotein-catalyzed cyclopropanation reaction with diazoketone.
Nat Commun, 14, 2023
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8EST
 | | REACTION OF PORCINE PANCREATIC ELASTASE WITH 7-SUBSTITUTED 3-ALKOXY-4-CHLOROISOCOUMARINS: DESIGN OF POTENT INHIBITORS USING THE CRYSTAL STRUCTURE OF THE COMPLEX FORMED WITH 4-CHLORO-3-ETHOXY-7-GUANIDINO-ISOCOUMARIN | | Descriptor: | CALCIUM ION, ETHYL-(2-CARBOXY-4-GUANIDINIUM-PHENYL)-CHLOROACETATE, PORCINE PANCREATIC ELASTASE, ... | | Authors: | Radhakrishnan, R, Powers, J.C, Meyerjunior, E.F. | | Deposit date: | 1990-02-21 | | Release date: | 1992-10-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Reaction of porcine pancreatic elastase with 7-substituted 3-alkoxy-4-chloroisocoumarins: design of potent inhibitors using the crystal structure of the complex formed with 4-chloro-3-ethoxy-7-guanidinoisocoumarin.
Biochemistry, 29, 1990
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8ESS
 | | Myoglobin variant Mb-cIII complex | | Descriptor: | Myoglobin, SULFATE ION, [2,18-bis(2-carboxyethyl)-7,12-diethenyl-3,8,13,17-tetramethyl-21-(2-oxo-3-phenylpropyl)porphyrin-21-iumato(2-)-kappa~3~N~22~,N~23~,N~24~]iron(2+) | | Authors: | Bacik, J.P, Fasan, R, Ando, N. | | Deposit date: | 2022-10-14 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Mechanistic manifold in a hemoprotein-catalyzed cyclopropanation reaction with diazoketone.
Nat Commun, 14, 2023
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8ESH
 | | Structure of chimeric HLA-A*02:01 bound to CMV peptide | | Descriptor: | Beta-2-microglobulin, CMV peptide, HLA-A*02:01 | | Authors: | Florio, T.J, Ani, O, Young, M.C, Mallik, L, Sgourakis, N.G. | | Deposit date: | 2022-10-14 | | Release date: | 2023-01-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Decoupling peptide binding from T cell receptor recognition with engineered chimeric MHC-I molecules.
Front Immunol, 14, 2023
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8ES5
 | | Aha1 domain protein from Pseudomonas aeruginosa | | Descriptor: | Activator of HSP90 ATPase | | Authors: | Colautti, J, Whitney, J.C. | | Deposit date: | 2022-10-13 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Lack of evidence that Pseudomonas aeruginosa AmpDh3-PA0808 constitute a type VI secretion system effector-immunity pair.
Mol.Microbiol., 119, 2023
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