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Legacy flatfile-incompatible PDB entries
8BON
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BU of 8bon by Molmil
Structure of the SARS-CoV-2 spike glycoprotein in complex with the macrocyclic peptide S1B3inL1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Macrocyclic peptide S1B3inL1, ...
Authors:Hurdiss, D.L.
Deposit date:2022-11-15
Release date:2023-06-28
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A broad-spectrum macrocyclic peptide inhibitor of the SARS-CoV-2 spike protein.
Proc.Natl.Acad.Sci.USA, 120, 2023
8BOT
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BU of 8bot by Molmil
Cryo-EM structure of NHEJ supercomplex(trimer)
Descriptor: DNA (24-MER), DNA (27-MER), DNA (28-MER), ...
Authors:Hardwick, S.W, Chaplin, A.K.
Deposit date:2022-11-15
Release date:2023-06-28
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (7.76 Å)
Cite:Cryo-EM structure of a DNA-PK trimer: higher order oligomerisation in NHEJ.
Structure, 31, 2023
8BOV
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BU of 8bov by Molmil
X-ray structure of the adduct formed upon reaction of the five-coordinate Pt(II) complex, 1-Me,Me, with HEWL at pH 7.5
Descriptor: 1-[1,3-dimethyl-4-(1~{H}-1,2,3-triazol-5-yl)imidazol-1-ium-2-yl]-1,2',11'-trimethyl-spiro[1$l^{6}-platinacycloprop-2-ene-1,15'-1,12-diaza-15$l^{6}-platinatetracyclo[10.2.1.0^{5,14}.0^{8,13}]pentadeca-2,4,6,8,10,13-hexaene], 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ...
Authors:Ferraro, G, Tito, G, Merlino, A.
Deposit date:2022-11-15
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Impact of Hydrophobic Chains in Five-Coordinate Glucoconjugate Pt(II) Anticancer Agents.
Int J Mol Sci, 24, 2023
8BOY
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BU of 8boy by Molmil
X-ray structure of the adduct formed upon reaction of the five-coordinate Pt(II) complex, 1-Me,Me, with HEWL at pH 4.0
Descriptor: 1-[1,3-dimethyl-4-(1~{H}-1,2,3-triazol-5-yl)imidazol-1-ium-2-yl]-1,2',11'-trimethyl-spiro[1$l^{6}-platinacycloprop-2-ene-1,15'-1,12-diaza-15$l^{6}-platinatetracyclo[10.2.1.0^{5,14}.0^{8,13}]pentadeca-2,4,6,8,10,13-hexaene], Lysozyme C, NITRATE ION, ...
Authors:Ferraro, G, Tito, G, Merlino, A.
Deposit date:2022-11-15
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Impact of Hydrophobic Chains in Five-Coordinate Glucoconjugate Pt(II) Anticancer Agents.
Int J Mol Sci, 24, 2023
8BP2
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BU of 8bp2 by Molmil
2.8A STRUCTURE OF ZOLIFLODACIN WITH S.AUREUS DNA GYRASE AND DNA
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (20-MER), DNA gyrase subunit A, ...
Authors:Bax, B.D, Morgan, H, Warren, A.J.
Deposit date:2022-11-15
Release date:2023-02-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A 2.8 angstrom Structure of Zoliflodacin in a DNA Cleavage Complex with Staphylococcus aureus DNA Gyrase.
Int J Mol Sci, 24, 2023
8BP8
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BU of 8bp8 by Molmil
SPA of Trypsin untreated Rotavirus TLP spike
Descriptor: CALCIUM ION, Inner capsid protein VP2, Intermediate capsid protein VP6, ...
Authors:Shah, P.N.M, Stuart, D.I.
Deposit date:2022-11-16
Release date:2023-04-05
Last modified:2023-04-26
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Characterization of the rotavirus assembly pathway in situ using cryoelectron tomography.
Cell Host Microbe, 31, 2023
8BP9
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BU of 8bp9 by Molmil
Structure of E. coli Class 2 L-asparaginase EcAIII, mutant M200W (crystal M200W#2)
Descriptor: CHLORIDE ION, Isoaspartyl peptidase subunit alpha, Isoaspartyl peptidase subunit beta, ...
Authors:Sciuk, A, Jaskolski, M, Loch, J.I.
Deposit date:2022-11-16
Release date:2023-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The effects of nature-inspired amino acid substitutions on structural and biochemical properties of the E. coli L-asparaginase EcAIII.
Protein Sci., 32, 2023
8BPH
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BU of 8bph by Molmil
X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(D-p-FPhF)(O2CCH3)3] (Structure 3)
Descriptor: Lysozyme C, Ru2-(OH)8 cluster, SUCCINIC ACID
Authors:Teran, A, Merlino, A, Ferraro, G.
Deposit date:2022-11-16
Release date:2023-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Effect of Equatorial Ligand Substitution on the Reactivity with Proteins of Paddlewheel Diruthenium Complexes: Structural Studies.
Inorg.Chem., 62, 2023
8BPI
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BU of 8bpi by Molmil
Human Gamma-D crystallin R36S mutant after UV illumination
Descriptor: Gamma-crystallin D
Authors:Yorke, B.A, Hill, J.A.
Deposit date:2022-11-16
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human Gamma-D crystallin R36S mutant with DTT-Protein modification
To Be Published
8BPJ
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BU of 8bpj by Molmil
X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(D-p-FPhF)(O2CCH3)3] (Structure 1)
Descriptor: 9,11-bis(4-fluorophenyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane, Lysozyme, NITRATE ION, ...
Authors:Teran, A, Merlino, A, Ferraro, G.
Deposit date:2023-01-17
Release date:2023-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Effect of Equatorial Ligand Substitution on the Reactivity with Proteins of Paddlewheel Diruthenium Complexes: Structural Studies.
Inorg.Chem., 62, 2023
8BPO
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BU of 8bpo by Molmil
Structure of rabbit 80S ribosome translating beta-tubulin in complex with tetratricopeptide protein 5 (TTC5) and S-phase Cyclin A Associated Protein residing in the ER (SCAPER)
Descriptor: 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
Authors:Hopfler, M, Absmeier, E, Passmore, L.A, Hegde, R.S.
Deposit date:2022-11-17
Release date:2023-07-05
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Mechanism of ribosome-associated mRNA degradation during tubulin autoregulation.
Mol.Cell, 83, 2023
8BPU
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BU of 8bpu by Molmil
X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(D-p-FPhF)(O2CCH3)3] (Structure 2)
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 9,11-bis(4-fluorophenyl)-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane, Lysozyme, ...
Authors:Teran, A, Merlino, A, Ferraro, G.
Deposit date:2022-11-17
Release date:2023-06-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Effect of Equatorial Ligand Substitution on the Reactivity with Proteins of Paddlewheel Diruthenium Complexes: Structural Studies.
Inorg.Chem., 62, 2023
8BPX
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BU of 8bpx by Molmil
Cryo-EM structure of the Arabidopsis thaliana I+III2 supercomplex (Complete composition)
Descriptor: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, ...
Authors:Klusch, N, Kuehlbrandt, W.
Deposit date:2022-11-18
Release date:2023-01-25
Last modified:2023-02-01
Method:ELECTRON MICROSCOPY (2.09 Å)
Cite:Cryo-EM structure of the respiratory I + III 2 supercomplex from Arabidopsis thaliana at 2 angstrom resolution.
Nat.Plants, 9, 2023
8BQ5
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BU of 8bq5 by Molmil
Cryo-EM structure of the Arabidopsis thaliana I+III2 supercomplex (Complete conformation 1 composition)
Descriptor: 2,3-DIMETHOXY-5-METHYL-6-(3,11,15,19-TETRAMETHYL-EICOSA-2,6,10,14,18-PENTAENYL)-[1,4]BENZOQUINONE, AT3G07480.1, Acyl carrier protein 1, ...
Authors:Klusch, N, Kuehlbrandt, W.
Deposit date:2022-11-18
Release date:2023-03-22
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:Cryo-EM structure of the respiratory I + III 2 supercomplex from Arabidopsis thaliana at 2 angstrom resolution.
Nat.Plants, 9, 2023
8BQ6
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BU of 8bq6 by Molmil
Cryo-EM structure of the Arabidopsis thaliana I+III2 supercomplex (Complete conformation 2 composition)
Descriptor: 2,3-DIMETHOXY-5-METHYL-6-(3,11,15,19-TETRAMETHYL-EICOSA-2,6,10,14,18-PENTAENYL)-[1,4]BENZOQUINONE, AT3G07480.1, Acyl carrier protein 1, ...
Authors:Klusch, N, Kuehlbrandt, W.
Deposit date:2022-11-18
Release date:2023-05-10
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Cryo-EM structure of the respiratory I + III 2 supercomplex from Arabidopsis thaliana at 2 angstrom resolution.
Nat.Plants, 9, 2023
8BQA
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BU of 8bqa by Molmil
CjCel5B endo-glucanase bound to CB665 covalent inhibitor
Descriptor: (1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-1,2,3,4,5-PENTOL, Endoglucanase, alpha-D-xylopyranose, ...
Authors:McGregor, N.G.S, de Boer, C, Overkleeft, H.S, Davies, G.J.
Deposit date:2022-11-20
Release date:2023-11-29
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:A Multiplexing Activity-Based Protein-Profiling Platform for Dissection of a Native Bacterial Xyloglucan-Degrading System.
Acs Cent.Sci., 9, 2023
8BQD
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BU of 8bqd by Molmil
Yeast 80S ribosome in complex with Map1 (conformation 1)
Descriptor: 18S rRNA, 25S rRNA, 40S ribosomal protein S0-A, ...
Authors:Knorr, A.G, Mackens-Kiani, T, Musial, J, Berninghausen, O, Becker, T, Beatrix, B, Beckmann, R.
Deposit date:2022-11-21
Release date:2023-03-22
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:The dynamic architecture of Map1- and NatB-ribosome complexes coordinates the sequential modifications of nascent polypeptide chains.
Plos Biol., 21, 2023
8BQM
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BU of 8bqm by Molmil
X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(D-p-FPhF)(O2CCH3)3] (Structure 4)
Descriptor: ACETATE ION, CHLORIDE ION, Lysozyme, ...
Authors:Teran, A, Merlino, A, Ferraro, G.
Deposit date:2022-11-21
Release date:2023-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Effect of Equatorial Ligand Substitution on the Reactivity with Proteins of Paddlewheel Diruthenium Complexes: Structural Studies.
Inorg.Chem., 62, 2023
8BQO
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BU of 8bqo by Molmil
Structure of E.coli Class 2 L-asparaginase EcAIII, mutant M200I
Descriptor: CHLORIDE ION, GLYCEROL, Isoaspartyl peptidase subunit alpha, ...
Authors:Sciuk, A, Ruszkowski, M, Jaskolski, M, Loch, J.I.
Deposit date:2022-11-21
Release date:2023-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The effects of nature-inspired amino acid substitutions on structural and biochemical properties of the E. coli L-asparaginase EcAIII.
Protein Sci., 32, 2023
8BQS
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BU of 8bqs by Molmil
Cryo-EM structure of the I-II-III2-IV2 respiratory supercomplex from Tetrahymena thermophila
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2 iron, ...
Authors:Muhleip, A, Kock Flygaard, R, Baradaran, R, Amunts, A.
Deposit date:2022-11-21
Release date:2023-08-23
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis of mitochondrial membrane bending by I-II-III2-IV2 supercomplex
To Be Published
8BQX
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BU of 8bqx by Molmil
Yeast 80S ribosome in complex with Map1 (conformation 2)
Descriptor: 18S rRNA, 25S rRNA, 40S ribosomal protein S0-A, ...
Authors:Knorr, A.G, Mackens-Kiani, T, Musial, J, Berninghausen, O, Becker, T, Beatrix, B, Beckmann, R.
Deposit date:2022-11-21
Release date:2023-03-22
Last modified:2023-05-03
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
8BR5
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BU of 8br5 by Molmil
Discovery of IRAK4 Inhibitor 41
Descriptor: Interleukin-1 receptor-associated kinase 4, ~{N}-[2,3-dimethyl-6-(1~{H}-pyrazol-5-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
Authors:Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M.
Deposit date:2022-11-22
Release date:2024-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
8BR6
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BU of 8br6 by Molmil
Discovery of IRAK4 Inhibitor 40
Descriptor: ACETATE ION, Interleukin-1 receptor-associated kinase 4, ~{N}-[6-methoxy-2-(2-methylsulfonylethyl)-1,3-dihydroindazol-5-yl]-6-(2-oxidanylpropan-2-yl)pyridine-2-carboxamide
Authors:Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wengner, A.M, Guimond, N, Thaler, T, Platzek, J, Ewerspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M.
Deposit date:2022-11-22
Release date:2024-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.167 Å)
Cite:Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
8BR7
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BU of 8br7 by Molmil
Discovery of IRAK4 Inhibitors BAY1834845 and BAY1830839
Descriptor: 3-nitro-~{N}-[2-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl]indazol-5-yl]benzamide, Interleukin-1 receptor-associated kinase 4
Authors:Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M.
Deposit date:2022-11-22
Release date:2024-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.119 Å)
Cite:Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
8BR8
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BU of 8br8 by Molmil
Giardia ribosome in POST-T state (A1)
Descriptor: 40S ribosomal protein S21, 40S ribosomal protein S25, 40S ribosomal protein S26, ...
Authors:Majumdar, S, Emmerich, A.G, Sanyal, S.
Deposit date:2022-11-22
Release date:2023-03-15
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Insights into translocation mechanism and ribosome evolution from cryo-EM structures of translocation intermediates of Giardia intestinalis.
Nucleic Acids Res., 51, 2023

222415

數據於2024-07-10公開中

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