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PDB形式変換不可の PDB エントリー
8RH3
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Nucleoside 2'deoxyribosyltransferase from Chroococcidiopsis thermalis PCC 7203 WT bound to Gemcitabine
分子名称: (2~{R},3~{R})-4,4-bis(fluoranyl)-2-(hydroxymethyl)oxolan-3-ol, Nucleoside 2-deoxyribosyltransferase
著者Tang, P, Harding, C.J, Czekster, C.M.
登録日2023-12-14
公開日2024-02-21
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Snapshots of the Reaction Coordinate of a Thermophilic 2'-Deoxyribonucleoside/ribonucleoside Transferase.
Acs Catalysis, 14, 2024
8RHJ
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Yeast 20S proteasome in complex with a macrocyclic oxindole epoxyketone (compound 5)
分子名称: CHLORIDE ION, MAGNESIUM ION, Macrocyclic oxindole epoxyketone, ...
著者Goetz, M.G, Godwin, K, Price, R, Dorn, R, Merrill-Steskal, G, Hansen, H, Klemmer, W, Produturi, G, Rocha, M, Palmer, M, Molacek, L, Strater, Z, Groll, M.
登録日2023-12-15
公開日2024-05-01
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Macrocyclic Oxindole Peptide Epoxyketones-A Comparative Study of Macrocyclic Inhibitors of the 20S Proteasome.
Acs Med.Chem.Lett., 15, 2024
8RHK
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Yeast 20S proteasome in complex with a linear oxindole epoxyketone (compound 6)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Linear oxindole epoxyketone, ...
著者Goetz, M.G, Godwin, K, Price, R, Dorn, R, Merrill-Steskal, G, Hansen, H, Klemmer, W, Produturi, G, Rocha, M, Palmer, M, Molacek, L, Strater, Z, Groll, M.
登録日2023-12-15
公開日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Macrocyclic Oxindole Peptide Epoxyketones-A Comparative Study of Macrocyclic Inhibitors of the 20S Proteasome.
Acs Med.Chem.Lett., 15, 2024
8RI2
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Crystal structure of NLRP3 in complex with inhibitor NP3-562
分子名称: 2-[4-chloranyl-9-oxidanylidene-12-(2-oxidanylpropan-2-yl)-5-thia-1,10,11-triazatricyclo[6.4.0.0^{2,6}]dodeca-2(6),3,7,11-tetraen-10-yl]-~{N}-[(3~{R})-1-methylpiperidin-3-yl]ethanamide, ADENOSINE-5'-DIPHOSPHATE, NACHT, ...
著者Dekker, C.
登録日2023-12-18
公開日2024-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of Potent, Orally Bioavailable, Tricyclic NLRP3 Inhibitors.
J.Med.Chem., 67, 2024
8RIJ
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Discovery of the first orally bioavailable ADAMTS7 inhibitor BAY-9835
分子名称: CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Schafer, M, Meibom, D, Wasnaire, P, Beyer, K, Broehl, A, Cancho-Grande, Y, Elowe, N, Henninger, K, Johannes, S, Jungmann, N, Krainz, T, Lindner, N, Maassen, S, MacDonald, B, Menshykau, D, Mittendorf, J, Sanchez, G, Stefan, E, Torge, A, Xing, Y, Zubov, D.
登録日2023-12-18
公開日2024-02-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献BAY-9835: Discovery of the First Orally Bioavailable ADAMTS7 Inhibitor.
J.Med.Chem., 67, 2024
8RIV
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T2R-TTL-1-K08 complex
分子名称: (4-fluoranyl-2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Boiarska, Z, Homer, J.A, Steinmetz, M.O, Moses, J.E, Prota, A.E.P.
登録日2023-12-19
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Modular synthesis of functional libraries by accelerated SuFEx click chemistry.
Chem Sci, 15, 2024
8RIW
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T2R-TTL-1-L01 complex
分子名称: (2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Prota, A.E.P, Boiarska, Z, Homer, J.A, Steinmetz, M.O, Moses, J.E.
登録日2023-12-19
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Modular synthesis of functional libraries by accelerated SuFEx click chemistry.
Chem Sci, 15, 2024
8RIY
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Human NUDT5 with ibrutinib derivative
分子名称: 1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine, ADP-sugar pyrophosphatase
著者Balikci-Akil, E, Elkins, J.M, Huber, K.V.M.
登録日2023-12-19
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.288 Å)
主引用文献Unexpected Noncovalent Off-Target Activity of Clinical BTK Inhibitors Leads to Discovery of a Dual NUDT5/14 Antagonist.
J.Med.Chem., 67, 2024
8RJB
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Structure of the rabbit 80S ribosome stalled on a 2-TMD rhodopsin intermediate in complex with Sec61-RAMP4
分子名称: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
著者Lewis, A.J.O, Hegde, R.S.
登録日2023-12-20
公開日2024-01-24
最終更新日2024-08-07
実験手法ELECTRON MICROSCOPY (2.69243 Å)
主引用文献Structural analysis of the dynamic ribosome-translocon complex.
Elife, 13, 2024
8RJC
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Structure of the rabbit 80S ribosome stalled on a 2-TMD rhodopsin intermediate in complex with Sec61-TRAP, open conformation 1
分子名称: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
著者Lewis, A.J.O, Hegde, R.S.
登録日2023-12-20
公開日2024-01-24
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (2.90061 Å)
主引用文献Structural analysis of the dynamic ribosome-translocon complex.
Elife, 13, 2024
8RJD
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Structure of the rabbit 80S ribosome stalled on a 2-TMD rhodopsin intermediate in complex with Sec61-TRAP, open conformation 2
分子名称: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
著者Lewis, A.J.O, Hegde, R.S.
登録日2023-12-20
公開日2024-01-24
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (2.78574 Å)
主引用文献Structural analysis of the dynamic ribosome-translocon complex.
Elife, 13, 2024
8RJV
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Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalent inhibitor GUE-3778 (compound 12 in publication)
分子名称: (phenylmethyl) ~{N}-[(2~{S})-1-[[(3-chloranyl-2-fluoranyl-phenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate, 3C-like proteinase nsp5
著者Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A.
登録日2023-12-21
公開日2024-05-29
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs.
J.Med.Chem., 67, 2024
8RJY
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Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalent inhibitor GUE-3899 (compound 58 in publication)
分子名称: 3C-like proteinase nsp5, ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(4-chlorophenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide
著者Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A.
登録日2023-12-22
公開日2024-05-29
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs.
J.Med.Chem., 67, 2024
8RJZ
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Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GUE-3801 (compound 80 in publication)
分子名称: (7~{S})-6-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]-14-fluoranyl-10-(iminomethyl)-9-methyl-7-(phenylmethyl)-2-oxa-6,9,10-triazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-8-one, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase nsp5, ...
著者Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A.
登録日2023-12-22
公開日2024-05-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs.
J.Med.Chem., 67, 2024
8RK3
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Bacteriophage JBD30 baseplate - composite structure
分子名称: DUF2163 domain-containing protein, DUF2793 domain-containing protein, Tape measure protein N-terminal domain-containing protein, ...
著者Valentova, L, Fuzik, T, Plevka, P.
登録日2023-12-23
公開日2024-08-14
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (4.46 Å)
主引用文献Structure and replication of Pseudomonas aeruginosa phage JBD30.
Embo J., 43, 2024
8RK6
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Baseplate core of bacteriophage JBD30 computed in C3 symmetry
分子名称: DUF2163 domain-containing protein, FE (III) ION, Tip attachment protein J domain-containing protein, ...
著者Valentova, L, Fuzik, T, Plevka, P.
登録日2023-12-23
公開日2024-08-14
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure and replication of Pseudomonas aeruginosa phage JBD30.
Embo J., 43, 2024
8RK7
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Baseplate of bacteriophage JBD30 computed in C3 symmetry
分子名称: DUF2163 domain-containing protein, FE (III) ION, Tip attachment protein J domain-containing protein, ...
著者Valentova, L, Fuzik, T, Plevka, P.
登録日2023-12-23
公開日2024-08-14
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (4.46 Å)
主引用文献Structure and replication of Pseudomonas aeruginosa phage JBD30.
Embo J., 43, 2024
8RKE
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Crystal structure of the complete N-terminal region of human ZP2 (hZP2-N1N2N3)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Zona pellucida sperm-binding protein 2, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Fahrenkamp, D, de Sanctis, D, Jovine, L.
登録日2023-12-25
公開日2024-03-13
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
8RKG
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Crystal structure of tetrameric collagenase-cleaved Xenopus ZP2-N2N3 (cleaved xZP2-N2N3)
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, BICINE, ...
著者Nishio, S, de Sanctis, D, Jovine, L.
登録日2023-12-25
公開日2024-03-13
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
8RKR
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Structure of human DELTA-1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE (ALDH4A1) complexed with a monophosphate-tweezer
分子名称: (1R,5S,9S,16R,20R,24S,28S,35R)-22-(Dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaen-3-ol, BENZOIC ACID, Delta-1-pyrroline-5-carboxylate dehydrogenase, ...
著者Porfetye, A.T, Vetter, I.R.
登録日2023-12-28
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献How Do Molecular Tweezers Bind to Proteins? Lessons from X-ray Crystallography.
Molecules, 29, 2024
8RLN
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Crystal structure of human adenosine A2A receptor (construct A2A-PSB2-bRIL) complexed with the partial antagonist LUF5834 at the orthosteric pocket
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-azanyl-4-(4-hydroxyphenyl)-6-(1~{H}-imidazol-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile, ...
著者Strater, N, Claff, T, Weisse, R.H, Muller, C.E.
登録日2024-01-03
公開日2024-06-19
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structural Insights into Partial Activation of the Prototypic G Protein-Coupled Adenosine A 2A Receptor.
Acs Pharmacol Transl Sci, 7, 2024
8RM5
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Cryo-EM structure of the cross-exon pre-B+5'ssLNG+ATPyS complex
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, 5'SS oligo, NHP2-like protein 1, ...
著者Zhang, Z, Kumar, V, Dybkov, O, Will, C.L, Zhong, J, Ludwig, S, Urlaub, H, Kastner, B, Stark, H, Luehrmann, R.
登録日2024-01-05
公開日2024-05-22
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (6.9 Å)
主引用文献Structural insights into the cross-exon to cross-intron spliceosome switch.
Nature, 630, 2024
8RND
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Cathepsin S in complex with NNPI-C10 inhibitor
分子名称: 1,2-ETHANEDIOL, Cathepsin S, DI(HYDROXYETHYL)ETHER, ...
著者Petruzzella, A, Lau, K, Pojer, F, Oricchio, E.
登録日2024-01-09
公開日2024-06-05
最終更新日2024-09-11
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Antibody-peptide conjugates deliver covalent inhibitors blocking oncogenic cathepsins.
Nat.Chem.Biol., 20, 2024
8RNO
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Unspecific peroxygenase from Marasmius wettsteinii (MweUPO-1) in complex with isophorone
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,5,5-trimethylcyclohex-2-en-1-one, DI(HYDROXYETHYL)ETHER, ...
著者Fernandez-Garcia, A, Sanz-Aparicio, J.
登録日2024-01-10
公開日2024-10-16
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Insights and Reaction Profile of a New Unspecific Peroxygenase from Marasmius wettsteinii Produced in a Tandem-Yeast Expression System.
Acs Chem.Biol., 19, 2024
8RO0
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Structure of the C. elegans Intron Lariat Spliceosome primed for disassembly (ILS')
分子名称: Cell division cycle 5-like protein, Coiled-coil domain-containing protein 12, GCF C-terminal domain-containing protein, ...
著者Vorlaender, M.K, Rothe, P, Plaschka, C.
登録日2024-01-11
公開日2024-08-07
最終更新日2024-08-21
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Mechanism for the initiation of spliceosome disassembly.
Nature, 632, 2024

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件を2024-11-13に公開中

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