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9B73
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BU of 9b73 by Molmil
Cryo-EM structure of the desensitised ATP-bound human P2X1 receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Felix, M.B, Alisa, G, Hariprasad, V, Jesse, I.M, David, M.T.
Deposit date:2024-03-27
Release date:2024-10-09
Method:ELECTRON MICROSCOPY (1.96 Å)
Cite:Structural insights into the human P2X1 receptor and ligand interactions
Nat Commun, 15, 2024
9BEI
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BU of 9bei by Molmil
Cryo-EM structure of synthetic claudin-4 complex with Clostridium perfringens enterotoxin C-terminal domain, sFab COP-2, and Nanobody
Descriptor: Anti-fab nanobody, COP-2 Fab Heavy chain, COP-2 Fab Light chain, ...
Authors:Vecchio, A.J.
Deposit date:2024-04-15
Release date:2024-04-24
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4.16 Å)
Cite:Computational design of soluble and functional membrane protein analogues.
Nature, 631, 2024
8XGB
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BU of 8xgb by Molmil
Crystal structure of human secretory glutaminyl cyclase in complex with (S)-1-(1H-benzo[d]imidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one
Descriptor: (5~{S})-1-(3~{H}-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one, Glutaminyl-peptide cyclotransferase, ZINC ION
Authors:Li, G.-B, Wang, X.-Y.
Deposit date:2023-12-15
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
8W18
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BU of 8w18 by Molmil
The crystal structure of the Michaelis-Menten complex of a C1s/C1-INH at 3.94 Angstroms
Descriptor: Complement C1s subcomponent heavy chain, Complement C1s subcomponent light chain, Plasma protease C1 inhibitor
Authors:Garrigues, R.J, Garcia, B.L.
Deposit date:2024-02-15
Release date:2024-06-26
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (3.94 Å)
Cite:The Crystal Structure of the Michaelis-Menten Complex of C1 Esterase Inhibitor and C1s Reveals Novel Insights into Complement Regulation.
J Immunol., 213, 2024
9FXG
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BU of 9fxg by Molmil
Crystal structure of double mutant Y115E Y117E human Glutaminyl Cyclase in apo-state
Descriptor: 1,2-ETHANEDIOL, Glutaminyl-peptide cyclotransferase, SULFATE ION
Authors:Tassone, G, Pozzi, C, Mangani, S.
Deposit date:2024-07-01
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Metal Ion Binding to Human Glutaminyl Cyclase: A Structural Perspective.
Int J Mol Sci, 25, 2024
9FYP
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BU of 9fyp by Molmil
Cryo EM structure of the type 3B polymorph of alpha-synuclein at low pH.
Descriptor: Alpha-synuclein, CHLORIDE ION
Authors:Frey, L, Qureshi, B.M, Kwiatkowski, W, Rhyner, D, Greenwald, J, Riek, R.
Deposit date:2024-07-03
Release date:2024-07-17
Last modified:2024-09-11
Method:ELECTRON MICROSCOPY (2.23 Å)
Cite:On the pH-dependence of alpha-synuclein amyloid polymorphism and the role of secondary nucleation in seed-based amyloid propagation.
Elife, 12, 2024
8XGY
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BU of 8xgy by Molmil
Crystal structure of human Golgi resident glutaminyl cyclase in complex with (R,Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-((1-acetylpyrrolidin-3-yl)oxy)indolin-2-one
Descriptor: (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-[(3~{R})-1-ethanoylpyrrolidin-3-yl]oxy-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase, ZINC ION
Authors:Li, G.-B, Wang, X.-Y.
Deposit date:2023-12-16
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
8Z61
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BU of 8z61 by Molmil
Human beta-catenin crystal structure
Descriptor: Catenin beta-1
Authors:Tim, F.
Deposit date:2024-04-18
Release date:2024-05-08
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of Novel 1-Phenylpiperidine Urea-Containing Derivatives Inhibiting beta-Catenin/BCL9 Interaction and Exerting Antitumor Efficacy through the Activation of Antigen Presentation of cDC1 Cells.
J.Med.Chem., 67, 2024
8XGT
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BU of 8xgt by Molmil
Crystal structure of human secretory glutaminyl cyclase in complex with (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-hydroxyindolin-2-one
Descriptor: (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-oxidanyl-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase, ZINC ION
Authors:Li, G.-B, Wang, X.-Y.
Deposit date:2023-12-15
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.813 Å)
Cite:X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
8ZHA
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BU of 8zha by Molmil
HIV-1 integrase core domain in complex with compound 15
Descriptor: (2~{S})-2-[7-(cycloheptylcarbamoyl)-4',5-dimethyl-spiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, SULFATE ION, ...
Authors:Furuzono, T, Orita, T, Nomura, A, Adachi, T.
Deposit date:2024-05-10
Release date:2024-07-10
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design and synthesis of novel and potent allosteric HIV-1 integrase inhibitors with a spirocyclic moiety.
Bioorg.Med.Chem.Lett., 110, 2024
8Z0U
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BU of 8z0u by Molmil
Human beta-catenin crystal structure
Descriptor: Catenin beta-1
Authors:Tim, F.
Deposit date:2024-04-10
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal protein human Beta-catenin
To Be Published
8ZH4
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BU of 8zh4 by Molmil
HIV-1 integrase core domain in complex with compound 5
Descriptor: (2~{S})-2-(4',5-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, SULFATE ION, ...
Authors:Furuzono, T, Orita, T, Nomura, A, Adachi, T.
Deposit date:2024-05-10
Release date:2024-07-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Design and synthesis of novel and potent allosteric HIV-1 integrase inhibitors with a spirocyclic moiety.
Bioorg.Med.Chem.Lett., 110, 2024
9FXJ
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BU of 9fxj by Molmil
Crystal structure of cobalt(II)-substituted double mutant Y115E Y117E human Glutaminyl Cyclase in complex with PBD-150
Descriptor: 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea, COBALT (II) ION, Glutaminyl-peptide cyclotransferase, ...
Authors:Tassone, G, Pozzi, C, Mangani, S.
Deposit date:2024-07-01
Release date:2024-09-04
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Metal Ion Binding to Human Glutaminyl Cyclase: A Structural Perspective.
Int J Mol Sci, 25, 2024
8Y0G
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BU of 8y0g by Molmil
Human beta-catenin crystal structure
Descriptor: Catenin beta-1
Authors:Tim, F.
Deposit date:2024-01-22
Release date:2024-03-13
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal protein of human Beta-catenin
To Be Published
8Z10
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BU of 8z10 by Molmil
Human beta-catenin crystal structure
Descriptor: Catenin beta-1, PROLINE
Authors:Tim, F.
Deposit date:2024-04-10
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of Beta-catenin
To Be Published
9FXH
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BU of 9fxh by Molmil
Crystal structure of cobalt(II)-substituted double mutant Y115E Y117E human Glutaminyl Cyclase
Descriptor: COBALT (II) ION, GLYCEROL, Glutaminyl-peptide cyclotransferase, ...
Authors:Tassone, G, Pozzi, C, Mangani, S.
Deposit date:2024-07-01
Release date:2024-09-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Metal Ion Binding to Human Glutaminyl Cyclase: A Structural Perspective.
Int J Mol Sci, 25, 2024
9BNQ
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BU of 9bnq by Molmil
N-(4-(isothiocyanatomethyl)phenyl)methanesulfonamide complexed with Macrophage Migration Inhibitory Factor
Descriptor: ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, N-{[4-(methanesulfonamido)phenyl]methyl}methanethioamide, ...
Authors:Fellner, M, Rutledge, M.T, Putha, L, Kok, L.K, Gamble, A.B, Wilbanks, S.M, Vernall, A.J, Tyndall, J.D.A.
Deposit date:2024-05-02
Release date:2024-07-24
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Covalent isothiocyanate inhibitors of macrophage migration inhibitory factor as potential colorectal cancer treatments.
Chemmedchem, 2024
8Z9C
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BU of 8z9c by Molmil
Cryo-EM structure of NTR-bound type VII CRISPR-Cas complex at substrate-engaged state I
Descriptor: Protein structure, RNA (41-MER), RNA (48-MER), ...
Authors:Zhang, H, Deng, Z, Li, X.
Deposit date:2024-04-23
Release date:2024-08-21
Last modified:2024-09-25
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structural basis for the activity of the type VII CRISPR-Cas system.
Nature, 633, 2024
8XOK
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BU of 8xok by Molmil
Cryo-EM structure of human ABCC4
Descriptor: 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, ATP-binding cassette sub-family C member 4, PALMITIC ACID
Authors:Zhang, P.F, Liu, Z.
Deposit date:2024-01-01
Release date:2024-07-24
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:The ATP-bound inward-open conformation of ABCC4 reveals asymmetric ATP binding for substrate transport.
Febs Lett., 598, 2024
9AYC
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BU of 9ayc by Molmil
Tetra-phosphorylated, E1435Q Ycf1 mutant in inward-facing wide conformation
Descriptor: Metal resistance protein YCF1
Authors:Carvalho, R.S.A, Rasel, M.S.I, Khandelwal, N.K, Tomasiak, T.M.
Deposit date:2024-03-07
Release date:2024-08-21
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Cryo-EM structure of the tetra-phosphorylated R-domain in Ycf1 reveals key interactions for transport regulation
To Be Published
9FJO
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BU of 9fjo by Molmil
Structure of the undecorated pointed end of F-actin
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Boiero Sanders, M, Oosterheert, W, Hofnagel, O, Bieling, P, Raunser, S.
Deposit date:2024-05-31
Release date:2024-09-11
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Phalloidin and DNase I-bound F-actin pointed end structures reveal principles of filament stabilization and disassembly.
Nat Commun, 15, 2024
8Z9E
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BU of 8z9e by Molmil
Cryo-EM structure of NTR-bound type VII CRISPR-Cas complex at substrate-engaged state II
Descriptor: Protein structure, RNA (34-MER), RNA (39-MER), ...
Authors:Zhang, H, Deng, Z, Li, X.
Deposit date:2024-04-23
Release date:2024-08-21
Last modified:2024-09-25
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Structural basis for the activity of the type VII CRISPR-Cas system.
Nature, 633, 2024
8YHE
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BU of 8yhe by Molmil
Cryo-EM structure of CTR-bound type VII CRISPR-Cas complex at post-state II
Descriptor: RNA (29-MER), RNA (46-MER), ZINC ION, ...
Authors:Zhang, H, Deng, Z, Li, X.
Deposit date:2024-02-28
Release date:2024-08-21
Last modified:2024-09-25
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Structural basis for the activity of the type VII CRISPR-Cas system.
Nature, 633, 2024
3EH3
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BU of 3eh3 by Molmil
Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus
Descriptor: COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ...
Authors:Liu, B, Chen, Y, Doukov, T, Soltis, S.M, Stout, D, Fee, J.A.
Deposit date:2008-09-11
Release date:2009-04-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Combined microspectrophotometric and crystallographic examination of chemically reduced and X-ray radiation-reduced forms of cytochrome ba3 oxidase from Thermus thermophilus: structure of the reduced form of the enzyme.
Biochemistry, 48, 2009
3EH5
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BU of 3eh5 by Molmil
Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus
Descriptor: COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ...
Authors:Liu, B, Chen, Y, Doukov, T, Soltis, S.M, Stout, D, Fee, J.A.
Deposit date:2008-09-11
Release date:2009-04-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Combined microspectrophotometric and crystallographic examination of chemically reduced and X-ray radiation-reduced forms of cytochrome ba3 oxidase from Thermus thermophilus: structure of the reduced form of the enzyme.
Biochemistry, 48, 2009

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