6GJ7
 
 | | CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 22 | | 分子名称: | (3~{S})-5-oxidanyl-3-[2-[[[1-(phenylmethyl)indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | | 著者 | Kessler, D, Mcconnell, D.M, Mantoulidis, A. | | 登録日 | 2018-05-16 | | 公開日 | 2019-07-31 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5YZD
 | | Crystal structure of the prefusion form of measles virus fusion protein in complex with a fusion inhibitor peptide (FIP) | | 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, glycoprotein F1,measles virus fusion protein, ... | | 著者 | Hashiguchi, T, Fukuda, Y, Matsuoka, R, Kuroda, D, Kubota, M, Shirogane, Y, Watanabe, S, Tsumoto, K, Kohda, D, Plemper, R.K, Yanagi, Y. | | 登録日 | 2017-12-14 | | 公開日 | 2018-02-21 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.636 Å) | | 主引用文献 | Structures of the prefusion form of measles virus fusion protein in complex with inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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9GAX
 | | TEAD1 in complex with a reversible inhibitor N-[(1S)-2-hydroxy-1-(1-methyl-1H-pyrazol-3-yl)ethyl]-2-methyl-8-[4-(trifluoromethyl)phenyl]-2H,8H-pyrazolo[3,4-b]indole-5-carboxamide | | 分子名称: | 2-methyl-~{N}-[(1~{S})-1-(1-methylpyrazol-3-yl)-2-oxidanyl-ethyl]-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide, GLYCEROL, SULFATE ION, ... | | 著者 | Musil, D, Freire, F. | | 登録日 | 2024-07-29 | | 公開日 | 2025-01-22 | | 最終更新日 | 2025-04-09 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | MoA Studies of the TEAD P-Site Binding Ligand MSC-4106 and Its Optimization to TEAD1-Selective Amide M3686.
J.Med.Chem., 68, 2025
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8OFM
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6GUS
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5Z5R
 | | Nukacin ISK-1 in inactive state | | 分子名称: | Lantibiotic nukacin | | 著者 | Kohda, D, Fujinami, D. | | 登録日 | 2018-01-19 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-07-10 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The lantibiotic nukacin ISK-1 exists in an equilibrium between active and inactive lipid-II binding states.
Commun Biol, 1, 2018
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8ORQ
 | | Cryo-EM structure of Pyrococcus furiosus apo form RNA polymerase open clamp conformation | | 分子名称: | DNA-directed RNA polymerase subunit Rpo10, DNA-directed RNA polymerase subunit Rpo11, DNA-directed RNA polymerase subunit Rpo12, ... | | 著者 | Tarau, D.M, Reichelt, R, Heiss, F.B, Pilsl, M, Hausner, W, Engel, C, Grohmann, D. | | 登録日 | 2023-04-17 | | 公開日 | 2024-04-24 | | 最終更新日 | 2025-07-02 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structural basis of archaeal RNA polymerase transcription elongation and Spt4/5 recruitment.
Nucleic Acids Res., 52, 2024
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2YEU
 | | Structural and functional insights of DR2231 protein, the MazG-like nucleoside triphosphate pyrophosphohydrolase from Deinococcus radiodurans, complex with Gd | | 分子名称: | DR2231, GADOLINIUM ATOM, GLYCEROL, ... | | 著者 | Goncalves, A.M.D, de Sanctis, D, McSweeney, S.M. | | 登録日 | 2011-03-30 | | 公開日 | 2011-07-06 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural and Functional Insights Into Dr2231 Protein, the Mazg-Like Nucleoside Triphosphate Pyrophosphohydrolase from Deinococcus Radiodurans.
J.Biol.Chem., 286, 2011
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1VTQ
 | | THREE-DIMENSIONAL STRUCTURE OF YEAST T-RNA-ASP. I. STRUCTURE DETERMINATION | | 分子名称: | T-RNA-ASP | | 著者 | Comarmond, M.B, Giege, R, Thierry, J.C, Moras, D, Fischer, J. | | 登録日 | 1985-06-11 | | 公開日 | 2011-07-13 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Three-Dimensional Structure of Yeast T-RNA-ASP. I. Structure Determination
Acta Crystallogr.,Sect.B, 42, 1986
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5Z3G
 | | Cryo-EM structure of a nucleolar pre-60S ribosome (Rpf1-TAP) | | 分子名称: | 25S rRNA, 5.8S rRNA, 60S ribosomal protein L13-A, ... | | 著者 | Zhu, X, Zhou, D, Ye, K. | | 登録日 | 2018-01-06 | | 公開日 | 2018-04-11 | | 最終更新日 | 2024-11-06 | | 実験手法 | ELECTRON MICROSCOPY (3.65 Å) | | 主引用文献 | Cryo-EM structure of an early precursor of large ribosomal subunit reveals a half-assembled intermediate.
Protein Cell, 10, 2019
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4WSB
 | | Bat Influenza A polymerase with bound vRNA promoter | | 分子名称: | Influenza A polymerase vRNA promoter 3' end, Influenza A polymerase vRNA promoter 5' end, PHOSPHATE ION, ... | | 著者 | Cusack, S, Pflug, A, Guilligay, D, Reich, S. | | 登録日 | 2014-10-26 | | 公開日 | 2014-11-19 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Structural insight into cap-snatching and RNA synthesis by influenza polymerase.
Nature, 516, 2014
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6X3R
 | | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors | | 分子名称: | Peptidyl-prolyl cis-trans isomerase A, methyl (3~{S})-1-[(2~{S})-2-[[(2~{S})-2-acetamido-3-methyl-butanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-1,2-diazinane-3-carboxylate | | 著者 | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | | 登録日 | 2020-05-21 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
J.Chem.Inf.Model., 60, 2020
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6X4P
 | | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (compound 28) | | 分子名称: | (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | | 著者 | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | | 登録日 | 2020-05-22 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
J.Chem.Inf.Model., 60, 2020
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8GLT
 | | Backbone model of de novo-designed chlorophyll-binding nanocage O32-15 | | 分子名称: | C2-chlorophyll-comp_O32-15_ctermHis, polyalanine model, C3-comp_O32-15 | | 著者 | Redler, R.L, Ennist, N.M, Wang, S, Baker, D, Ekiert, D.C, Bhabha, G. | | 登録日 | 2023-03-23 | | 公開日 | 2024-03-27 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (6.5 Å) | | 主引用文献 | De novo design of proteins housing excitonically coupled chlorophyll special pairs.
Nat.Chem.Biol., 20, 2024
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6GJ8
 | | CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH BI 2852 | | 分子名称: | (3~{S})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | | 著者 | Kessler, D, Mcconnell, D.M, Mantoulidis, A. | | 登録日 | 2018-05-16 | | 公開日 | 2019-07-31 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6AU3
 | | Crystal structure of SETDB1 Tudor domain with aryl triazole fragments | | 分子名称: | 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, N-{[2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)phenyl]methyl}acetamide, ... | | 著者 | MADER, P, Mendoza-Sanchez, R, IQBAL, A, DONG, A, DOBROVETSKY, E, CORLESS, V.B, LIEW, S.K, TEMPEL, W, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D, HOLOWNIA, A, VEDADI, M, BROWN, P.J, SANTHAKUMAR, V, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | 登録日 | 2017-08-30 | | 公開日 | 2017-09-27 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of SETDB1 Tudor domain with aryl triazole fragments
to be published
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8GK7
 | | MsbA bound to cerastecin C | | 分子名称: | 2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid, Lipid A export ATP-binding/permease protein MsbA, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | 著者 | Chen, Y, Klein, D. | | 登録日 | 2023-03-17 | | 公開日 | 2024-04-24 | | 最終更新日 | 2025-05-21 | | 実験手法 | ELECTRON MICROSCOPY (3.32 Å) | | 主引用文献 | Cerastecins inhibit membrane lipooligosaccharide transport in drug-resistant Acinetobacter baumannii.
Nat Microbiol, 9, 2024
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8OKI
 | | Cryo-EM structure of Pyrococcus furiosus transcription elongation complex bound to Spt4/5 | | 分子名称: | DNA Non-Template Strand, DNA Template Strand, DNA-directed RNA polymerase subunit Rpo10, ... | | 著者 | Tarau, D.M, Reichelt, R, Heiss, F.B, Pilsl, M, Hausner, W, Engel, C, Grohmann, D. | | 登録日 | 2023-03-28 | | 公開日 | 2024-04-24 | | 最終更新日 | 2025-07-02 | | 実験手法 | ELECTRON MICROSCOPY (3.45 Å) | | 主引用文献 | Structural basis of archaeal RNA polymerase transcription elongation and Spt4/5 recruitment.
Nucleic Acids Res., 52, 2024
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7ZU0
 | | HOPS tethering complex from yeast | | 分子名称: | E3 ubiquitin-protein ligase PEP5, Vacuolar membrane protein PEP3, Vacuolar morphogenesis protein 6, ... | | 著者 | Shvarev, D, Schoppe, J, Koenig, C, Perz, A, Fuellbrunn, N, Kiontke, S, Langemeyer, L, Januliene, D, Schnelle, K, Kuemmel, D, Froehlich, F, Moeller, A, Ungermann, C. | | 登録日 | 2022-05-11 | | 公開日 | 2022-09-28 | | 最終更新日 | 2025-04-16 | | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | | 主引用文献 | Structure of the HOPS tethering complex, a lysosomal membrane fusion machinery.
Elife, 11, 2022
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8VVE
 | | Kappa opioid receptor:Galphai protein in complex with inverse agonist norBNI | | 分子名称: | (4bS,8R,8aS,10aS,11R,14aS,19aR,20bR)-7,12-bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,20,20b-dodecahydro-19aH-4,8:11,15-dimethanobis[1]benzofuro[2,3-a:3',2'-i]dipyrido[4,3-b:3',4'-h]carbazole-1,8a,10a,18-tetrol, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Gati, C, Motiwala, Z, Tyson, A.S, Styrpejko, D, Han, G.W, Khan, S, Ramos-Gonzalez, N, Shenvi, R, Majumdar, S. | | 登録日 | 2024-01-31 | | 公開日 | 2025-01-15 | | 最終更新日 | 2025-07-09 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Molecular mechanisms of inverse agonism via kappa-opioid receptor-G protein complexes.
Nat.Chem.Biol., 21, 2025
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9GDX
 | | SARS-CoV-2 Spike protein Beta Variant at 4C structural flexibility / heterogeneity analyses | | 分子名称: | Spike glycoprotein,Fibritin | | 著者 | Herreros, D, Mata, C.P, Noddings, C, Irene, D, Agard, D.A, Tsai, M.-D, Sorzano, C.O.S, Carazo, J.M. | | 登録日 | 2024-08-06 | | 公開日 | 2024-10-30 | | 最終更新日 | 2025-05-07 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Real-space heterogeneous reconstruction, refinement, and disentanglement of CryoEM conformational states with HetSIREN.
Nat Commun, 16, 2025
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2Y3L
 | | Structure of segment MVGGVVIA from the amyloid-beta peptide (Ab, residues 35-42), alternate polymorph 2 | | 分子名称: | AMYLOID BETA A4 PROTEIN | | 著者 | Colletier, J.P, Laganowsky, A, Sawaya, M.R, Eisenberg, D. | | 登録日 | 2010-12-21 | | 公開日 | 2011-11-02 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Molecular Basis for Amyloid-{Beta} Polymorphism.
Proc.Natl.Acad.Sci.USA, 108, 2011
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2Y3J
 | | Structure of segment AIIGLM from the amyloid-beta peptide (Ab, residues 30-35) | | 分子名称: | AMYLOID BETA A4 PROTEIN | | 著者 | Colletier, J.P, Laganowsky, A, Sawaya, M.R, Eisenberg, D. | | 登録日 | 2010-12-21 | | 公開日 | 2011-11-02 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Molecular Basis for Amyloid-{Beta} Polymorphism.
Proc.Natl.Acad.Sci.USA, 108, 2011
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8VVG
 | | Kappa opioid receptor in complex with heterotrimerig Gi protein, bound to inverse agonist GB18 | | 分子名称: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | 著者 | Gati, C, Motiwala, Z, Tyson, A.S, Styrpejko, D, Han, G.W, Khan, S, Ramos-Gonzalez, N, Shenvi, R, Majumdar, S. | | 登録日 | 2024-01-31 | | 公開日 | 2025-01-15 | | 最終更新日 | 2025-01-22 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Molecular mechanisms of inverse agonism via kappa-opioid receptor-G protein complexes.
Nat.Chem.Biol., 2025
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2Y3K
 | | Structure of segment MVGGVVIA from the amyloid-beta peptide (Ab, residues 35-42), alternate polymorph 1 | | 分子名称: | AMYLOID BETA A4 PROTEIN | | 著者 | Colletier, J.P, Laganowsky, A, Sawaya, M.R, Eisenberg, D. | | 登録日 | 2010-12-21 | | 公開日 | 2011-11-02 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Molecular Basis for Amyloid-{Beta} Polymorphism.
Proc.Natl.Acad.Sci.USA, 108, 2011
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