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8B9H
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BU of 8b9h by Molmil
Crystal structure of JAK2 JH2 in complex with Z902-A3
Descriptor: 6-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-~{N}4-phenyl-1,3,5-triazine-2,4-diamine, GLYCEROL, Tyrosine-protein kinase JAK2
Authors:Haikarainen, T, Silvennoinen, O.
Deposit date:2022-10-06
Release date:2023-02-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8BIP
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BU of 8bip by Molmil
Structure of a yeast 80S ribosome-bound N-Acetyltransferase B complex
Descriptor: 25S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Knorr, A.G, Mackens-Kiani, T, Musial, J, Berninghausen, O, Becker, T, Beatrix, B, Beckmann, R.
Deposit date:2022-11-02
Release date:2023-02-08
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:The dynamic architecture of Map1- and NatB-ribosome complexes coordinates the sequential modifications of nascent polypeptide chains.
Plos Biol., 21, 2023
8B9E
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BU of 8b9e by Molmil
Crystal structure of JAK2 JH2-V617F in complex with Z902-A3
Descriptor: 6-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-~{N}4-phenyl-1,3,5-triazine-2,4-diamine, GLYCEROL, Tyrosine-protein kinase JAK2
Authors:Haikarainen, T, Silvennoinen, O.
Deposit date:2022-10-05
Release date:2023-02-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8BAK
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BU of 8bak by Molmil
Crystal structure of JAK2 JH2-V617F in complex with Reversine
Descriptor: GLYCEROL, N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine, Tyrosine-protein kinase JAK2
Authors:Haikarainen, T, Silvennoinen, O.
Deposit date:2022-10-11
Release date:2023-02-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8BBW
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BU of 8bbw by Molmil
Crystal structure of medical leech destabilase (low salt)
Descriptor: CHLORIDE ION, GLYCEROL, Lysozyme
Authors:Marin, E, Bukhdruker, S, Manuvera, V, Kornilov, D, Zinovev, E, Bobrovsky, P, Lazarev, V, Borshchevskiy, V.
Deposit date:2022-10-14
Release date:2023-02-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural insights into thrombolytic activity of destabilase from medicinal leech.
Sci Rep, 13, 2023
8B0Q
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BU of 8b0q by Molmil
Deinococcus radiodurans UvrC C-terminal half
Descriptor: UvrABC system protein C
Authors:Timmins, J, Stelter, M.
Deposit date:2022-09-08
Release date:2023-02-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and functional insights into the activation of the dual incision activity of UvrC, a key player in bacterial NER.
Nucleic Acids Res., 51, 2023
8B9R
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BU of 8b9r by Molmil
Molecular structure of Cu(II)-bound amyloid-beta monomer implicated in inhibition of peptide self-assembly in Alzheimer's disease
Descriptor: Amyloid-beta A4 protein, COPPER (II) ION
Authors:Abelein, A, Ciofi-Baffoni, S, Morman, C, Kumar, R, Giachetti, A, Piccioli, M, Biverstal, H.
Deposit date:2022-10-06
Release date:2023-02-01
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Molecular Structure of Cu(II)-Bound Amyloid-beta Monomer Implicated in Inhibition of Peptide Self-Assembly in Alzheimer's Disease.
Jacs Au, 2, 2022
8BAB
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BU of 8bab by Molmil
Crystal structure of JAK2 JH2-V617F in complex with CB76
Descriptor: 6-[(1-methylimidazol-2-yl)sulfanylmethyl]-~{N}4-(3-methylphenyl)-1,3,5-triazine-2,4-diamine, GLYCEROL, Tyrosine-protein kinase JAK2
Authors:Haikarainen, T, Silvennoinen, O.
Deposit date:2022-10-11
Release date:2023-02-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8B8N
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BU of 8b8n by Molmil
Crystal structure of JAK2 JH2-V617F in complex with Cdk2 inhibitor IV
Descriptor: 4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide, GLYCEROL, Tyrosine-protein kinase JAK2
Authors:Haikarainen, T, Silvennoinen, O.
Deposit date:2022-10-04
Release date:2023-02-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8BA2
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BU of 8ba2 by Molmil
Crystal structure of JAK2 JH2-V617F in complex with Z902-A1
Descriptor: 6-[[(5-bromanylthiophen-2-yl)methyl-methyl-amino]methyl]-~{N}4-(4-methylphenyl)-1,3,5-triazine-2,4-diamine, ACETATE ION, GLYCEROL, ...
Authors:Haikarainen, T, Silvennoinen, O.
Deposit date:2022-10-11
Release date:2023-02-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8AUW
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BU of 8auw by Molmil
Cryo-EM structure of human BIRC6 in complex with SMAC.
Descriptor: Baculoviral IAP repeat-containing protein 6, Diablo IAP-binding mitochondrial protein, ZINC ION
Authors:Ehrmann, J.F, Grabarczyk, D.B, Clausen, T.
Deposit date:2022-08-25
Release date:2023-02-15
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (7.2 Å)
Cite:Structural basis for regulation of apoptosis and autophagy by the BIRC6/SMAC complex.
Science, 379, 2023
8BEW
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BU of 8bew by Molmil
Cryo-EM structure of the electron bifurcating Fe-Fe hydrogenase HydABC complex from Thermoanaerobacter kivui in the oxidised state
Descriptor: Electron bifurcating hydrogenase subunit HydA1, Electron bifurcating hydrogenase subunit HydB, Electron bifurcating hydrogenase subunit HydC, ...
Authors:Kumar, A, Schuller, J.M.
Deposit date:2022-10-22
Release date:2023-02-15
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC.
J.Am.Chem.Soc., 145, 2023
8AY0
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BU of 8ay0 by Molmil
Crystal Structure of the peptide binding protein DppE from Bacillus subtilis in complex with murein tripeptide
Descriptor: 1,2-ETHANEDIOL, Dipeptide-binding protein DppE, L-ALA-GAMMA-D-GLU-MESO-DIAMINOPIMELIC ACID, ...
Authors:Hughes, A.M, Dodson, E.J, Wilkinson, A.J.
Deposit date:2022-09-01
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Peptide transport in Bacillus subtilis - structure and specificity in the extracellular solute binding proteins OppA and DppE.
Microbiology (Reading, Engl.), 168, 2022
8ATU
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BU of 8atu by Molmil
Cryo-EM structure of human BIRC6
Descriptor: Baculoviral IAP repeat-containing protein 6, ZINC ION
Authors:Ehrmann, J.F, Grabarczyk, D.B, Clausen, T.
Deposit date:2022-08-24
Release date:2023-02-15
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for regulation of apoptosis and autophagy by the BIRC6/SMAC complex.
Science, 379, 2023
8B0F
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BU of 8b0f by Molmil
CryoEM structure of C5b8-CD59
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Bubeck, D, Couves, E.C, Gardner, S.
Deposit date:2022-09-07
Release date:2023-02-22
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for membrane attack complex inhibition by CD59.
Nat Commun, 14, 2023
8B0G
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BU of 8b0g by Molmil
2C9, C5b9-CD59 structure
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CD59 glycoprotein, Complement C5, ...
Authors:Couves, E.C, Gardner, S, Bubeck, D.
Deposit date:2022-09-07
Release date:2023-02-22
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for membrane attack complex inhibition by CD59.
Nat Commun, 14, 2023
8AUK
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BU of 8auk by Molmil
Cryo-EM structure of human BIRC6 in complex with HTRA2.
Descriptor: Baculoviral IAP repeat-containing protein 6, Serine protease HTRA2, mitochondrial, ...
Authors:Ehrmann, J.F, Grabarczyk, D.B, Clausen, T.
Deposit date:2022-08-25
Release date:2023-02-15
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Structural basis for regulation of apoptosis and autophagy by the BIRC6/SMAC complex.
Science, 379, 2023
8BJQ
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BU of 8bjq by Molmil
Structure of a yeast 80S ribosome-bound N-Acetyltransferase B complex
Descriptor: 25S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Knorr, A.G, Mackens-Kiani, T, Musial, J, Berninghausen, O, Becker, T, Beatrix, B, Beckmann, R.
Deposit date:2022-11-05
Release date:2023-02-08
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:The dynamic architecture of Map1- and NatB-ribosome complexes coordinates the sequential modifications of nascent polypeptide chains.
Plos Biol., 21, 2023
8B58
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BU of 8b58 by Molmil
Crystal Structure of Cyclophilin TgCyp23 from Toxoplasma gondii in complex with Cyclosporin A
Descriptor: Cyclosporin A, Peptidyl-prolyl cis-trans isomerase
Authors:Jimenez-Faraco, E, Hermoso, J.A.
Deposit date:2022-09-22
Release date:2023-02-01
Last modified:2023-02-22
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural Basis for Cyclosporin Isoform-Specific Inhibition of Cyclophilins from Toxoplasma gondii .
Acs Infect Dis., 9, 2023
8BFR
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BU of 8bfr by Molmil
The E. coli TrpD2 protein YbiB at 1.3 A resolution
Descriptor: GLYCEROL, Protein YbiB
Authors:Deckers, B, Galicia, C, Versees, W.
Deposit date:2022-10-26
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:YbiB: a novel interactor of the GTPase ObgE.
Nucleic Acids Res., 51, 2023
8AUG
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BU of 8aug by Molmil
XenA Y183F variant in complex with ethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
Descriptor: FLAVIN MONONUCLEOTIDE, NADH:flavin oxidoreductase, ethyl (2Z)-2-hydroxyimino-3-oxidanylidene-butanoate
Authors:Polidori, N, Gruber, K.
Deposit date:2022-08-25
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
8AX2
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BU of 8ax2 by Molmil
Crystal structure of Trametes versicolor glutathione transferase Omega 3S in complex with glutathione and pentachloro-nitrosyl-osmate
Descriptor: CALCIUM ION, GLUTATHIONE, GLYCEROL, ...
Authors:Schwartz, M, Didierjean, C.
Deposit date:2022-08-30
Release date:2023-03-01
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structural insights into the interactions of glutathione transferases with a nitric oxide carrier and sodium nitroprusside.
Biochem.Biophys.Res.Commun., 649, 2023
8AXT
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BU of 8axt by Molmil
Sialidases and Fucosidases of Akkermansia muciniphila are key for rapid growth on colonic mucin and nutrient sharing amongst mucin-associated human gut microbiota
Descriptor: CALCIUM ION, CHLORIDE ION, Sialidase domain-containing protein
Authors:Sakanaka, H, Nielsen, T.S, Pichler, M.J, Nordberg Karlsson, E, Abou Hachem, M, Morth, J.P.
Deposit date:2022-08-31
Release date:2023-03-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Sialidases and fucosidases of Akkermansia muciniphila are crucial for growth on mucin and nutrient sharing with mucus-associated gut bacteria.
Nat Commun, 14, 2023
8B99
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BU of 8b99 by Molmil
Crystal structure of JAK2 JH2-V617F in complex with JNJ-7706621
Descriptor: 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, GLYCEROL, Tyrosine-protein kinase JAK2
Authors:Haikarainen, T, Silvennoinen, O.
Deposit date:2022-10-05
Release date:2023-02-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8BDT
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BU of 8bdt by Molmil
Ternary complex between VCB, BRD4-BD2 and PROTAC 51
Descriptor: (2~{S},4~{R})-~{N}-[(1~{S})-3-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxidanylidene-propyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, Elongin-B, ...
Authors:Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A.A.
Deposit date:2022-10-20
Release date:2023-02-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023

238582

数据于2025-07-09公开中

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