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PDB形式変換不可の PDB エントリー
8BO4
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COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 1
分子名称: 4-(aminomethyl)-~{N}-[(2~{S})-1-oxidanylidene-3-phenyl-1-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]amino]propan-2-yl]cyclohexane-1-carboxamide, Coagulation factor XIa light chain, GLYCEROL
著者Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, M, Lang, D, Heitmeier, S, Hillisch, A.
登録日2022-11-14
公開日2023-09-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders.
J.Med.Chem., 66, 2023
8BO5
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COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 3
分子名称: 2-[4-(3-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolo[3,4-b]pyridin-1-yl]-~{N}-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]ethanamide, CITRIC ACID, Coagulation factor XIa light chain, ...
著者Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A.
登録日2022-11-14
公開日2023-09-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders.
J.Med.Chem., 66, 2023
8BO6
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COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 2
分子名称: (~{E})-~{N}-[[5-(3-azanyl-1~{H}-indazol-6-yl)-4-chloranyl-1~{H}-imidazol-2-yl]methyl]-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enamide, CITRIC ACID, Coagulation factor XIa light chain, ...
著者Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A.
登録日2022-11-14
公開日2023-09-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders.
J.Med.Chem., 66, 2023
8BO7
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COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 34
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-[[(2~{S})-2-[4-(5-chloranyl-2-cyano-phenyl)-3-methoxy-6-oxidanylidene-2,5-dihydropyridin-1-yl]-3-[(2~{S})-oxan-2-yl]propanoyl]amino]benzoic acid, CITRIC ACID, ...
著者Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A.
登録日2022-11-14
公開日2023-09-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders.
J.Med.Chem., 66, 2023
8BOE
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Human Carbonic Anhydrase I in complex with (S)-4-(3-(1-(6-nitropyridin-2-yl)pyrrolidin-3-yl)thioureido)benzenesulfonamide
分子名称: 1-[(3~{R})-1-(6-nitropyridin-2-yl)pyrrolidin-3-yl]-3-(4-sulfamoylphenyl)thiourea, Carbonic anhydrase 2, GLYCEROL, ...
著者Angeli, A, Ferraroni, M.
登録日2022-11-15
公開日2023-11-29
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献First-in-Class Dual Hybrid Carbonic Anhydrase Inhibitors and Transient Receptor Potential Vanilloid 1 Agonists Revert Oxaliplatin-Induced Neuropathy.
J.Med.Chem., 66, 2023
8BON
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Structure of the SARS-CoV-2 spike glycoprotein in complex with the macrocyclic peptide S1B3inL1
分子名称: 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, ...
著者Hurdiss, D.L.
登録日2022-11-15
公開日2023-06-28
最終更新日2023-07-05
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献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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Cryo-EM structure of NHEJ supercomplex(trimer)
分子名称: DNA (24-MER), DNA (27-MER), DNA (28-MER), ...
著者Hardwick, S.W, Chaplin, A.K.
登録日2022-11-15
公開日2023-06-28
最終更新日2023-08-16
実験手法ELECTRON MICROSCOPY (7.76 Å)
主引用文献Cryo-EM structure of a DNA-PK trimer: higher order oligomerisation in NHEJ.
Structure, 31, 2023
8BOV
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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
分子名称: 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, ...
著者Ferraro, G, Tito, G, Merlino, A.
登録日2022-11-15
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Impact of Hydrophobic Chains in Five-Coordinate Glucoconjugate Pt(II) Anticancer Agents.
Int J Mol Sci, 24, 2023
8BOY
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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
分子名称: 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, ...
著者Ferraro, G, Tito, G, Merlino, A.
登録日2022-11-15
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Impact of Hydrophobic Chains in Five-Coordinate Glucoconjugate Pt(II) Anticancer Agents.
Int J Mol Sci, 24, 2023
8BP2
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2.8A STRUCTURE OF ZOLIFLODACIN WITH S.AUREUS DNA GYRASE AND DNA
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (20-MER), DNA gyrase subunit A, ...
著者Bax, B.D, Morgan, H, Warren, A.J.
登録日2022-11-15
公開日2023-02-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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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SPA of Trypsin untreated Rotavirus TLP spike
分子名称: CALCIUM ION, Inner capsid protein VP2, Intermediate capsid protein VP6, ...
著者Shah, P.N.M, Stuart, D.I.
登録日2022-11-16
公開日2023-04-05
最終更新日2023-04-26
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Characterization of the rotavirus assembly pathway in situ using cryoelectron tomography.
Cell Host Microbe, 31, 2023
8BP9
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Structure of E. coli Class 2 L-asparaginase EcAIII, mutant M200W (crystal M200W#2)
分子名称: CHLORIDE ION, Isoaspartyl peptidase subunit alpha, Isoaspartyl peptidase subunit beta, ...
著者Sciuk, A, Jaskolski, M, Loch, J.I.
登録日2022-11-16
公開日2023-05-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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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X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(D-p-FPhF)(O2CCH3)3] (Structure 3)
分子名称: Lysozyme C, Ru2-(OH)8 cluster, SUCCINIC ACID
著者Teran, A, Merlino, A, Ferraro, G.
登録日2022-11-16
公開日2023-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献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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Human Gamma-D crystallin R36S mutant after UV illumination
分子名称: Gamma-crystallin D
著者Yorke, B.A, Hill, J.A.
登録日2022-11-16
公開日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Human Gamma-D crystallin R36S mutant with DTT-Protein modification
To Be Published
8BPJ
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X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(D-p-FPhF)(O2CCH3)3] (Structure 1)
分子名称: 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, ...
著者Teran, A, Merlino, A, Ferraro, G.
登録日2023-01-17
公開日2023-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献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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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)
分子名称: 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
著者Hopfler, M, Absmeier, E, Passmore, L.A, Hegde, R.S.
登録日2022-11-17
公開日2023-07-05
最終更新日2023-07-19
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Mechanism of ribosome-associated mRNA degradation during tubulin autoregulation.
Mol.Cell, 83, 2023
8BPU
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X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(D-p-FPhF)(O2CCH3)3] (Structure 2)
分子名称: 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, ...
著者Teran, A, Merlino, A, Ferraro, G.
登録日2022-11-17
公開日2023-06-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献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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Cryo-EM structure of the Arabidopsis thaliana I+III2 supercomplex (Complete composition)
分子名称: (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, ...
著者Klusch, N, Kuehlbrandt, W.
登録日2022-11-18
公開日2023-01-25
最終更新日2023-02-01
実験手法ELECTRON MICROSCOPY (2.09 Å)
主引用文献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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Cryo-EM structure of the Arabidopsis thaliana I+III2 supercomplex (Complete conformation 1 composition)
分子名称: 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, ...
著者Klusch, N, Kuehlbrandt, W.
登録日2022-11-18
公開日2023-03-22
実験手法ELECTRON MICROSCOPY (2.73 Å)
主引用文献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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Cryo-EM structure of the Arabidopsis thaliana I+III2 supercomplex (Complete conformation 2 composition)
分子名称: 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, ...
著者Klusch, N, Kuehlbrandt, W.
登録日2022-11-18
公開日2023-05-10
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献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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CjCel5B endo-glucanase bound to CB665 covalent inhibitor
分子名称: (1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-1,2,3,4,5-PENTOL, Endoglucanase, alpha-D-xylopyranose, ...
著者McGregor, N.G.S, de Boer, C, Overkleeft, H.S, Davies, G.J.
登録日2022-11-20
公開日2023-11-29
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献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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Yeast 80S ribosome in complex with Map1 (conformation 1)
分子名称: 18S rRNA, 25S rRNA, 40S ribosomal protein S0-A, ...
著者Knorr, A.G, Mackens-Kiani, T, Musial, J, Berninghausen, O, Becker, T, Beatrix, B, Beckmann, R.
登録日2022-11-21
公開日2023-03-22
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献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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X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(D-p-FPhF)(O2CCH3)3] (Structure 4)
分子名称: ACETATE ION, CHLORIDE ION, Lysozyme, ...
著者Teran, A, Merlino, A, Ferraro, G.
登録日2022-11-21
公開日2023-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献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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Structure of E.coli Class 2 L-asparaginase EcAIII, mutant M200I
分子名称: CHLORIDE ION, GLYCEROL, Isoaspartyl peptidase subunit alpha, ...
著者Sciuk, A, Ruszkowski, M, Jaskolski, M, Loch, J.I.
登録日2022-11-21
公開日2023-05-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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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Cryo-EM structure of the I-II-III2-IV2 respiratory supercomplex from Tetrahymena thermophila
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2 iron, ...
著者Muhleip, A, Kock Flygaard, R, Baradaran, R, Amunts, A.
登録日2022-11-21
公開日2023-08-23
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis of mitochondrial membrane bending by I-II-III2-IV2 supercomplex
To Be Published

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