8OOJ
| Crystal structure of dCK C4S-S74E mutant in complex with EdC and UDP | 分子名称: | 4-azanyl-1-[(2~{R},4~{S},5~{R})-5-ethynyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | 著者 | Saez-Ayala, M, Rebuffet, E, Betzi, S, Morelli, X. | 登録日 | 2023-04-05 | 公開日 | 2023-12-20 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | 4'-Ethynyl-2'-Deoxycytidine (EdC) Preferentially Targets Lymphoma and Leukemia Subtypes by Inducing Replicative Stress. Mol.Cancer Ther., 23, 2024
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8PBO
| Deep interactome learning for generative drug design | 分子名称: | 3-[2-fluoranyl-4-[3-[2-fluoranyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)phenoxy]propoxy]phenyl]propanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma, ... | 著者 | Hakansson, M, Focht, D, Atz, K, Schneider, G. | 登録日 | 2023-06-09 | 公開日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Prospective de novo drug design with deep interactome learning. Nat Commun, 15, 2024
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8OJ0
| 60S ribosomal subunit bound to the E3-UFM1 complex - state 2 (native) | 分子名称: | 28S rRNA, 5.8S rRNA, 5S rRNA, ... | 著者 | Penchev, I, DaRosa, P.A, Becker, T, Beckmann, R, Kopito, R. | 登録日 | 2023-03-23 | 公開日 | 2024-02-21 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | UFM1 E3 ligase promotes recycling of 60S ribosomal subunits from the ER. Nature, 627, 2024
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8OOV
| human NME-1 in complex with CoA | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase A | 著者 | Gouge, J, Hristov, H.D. | 登録日 | 2023-04-06 | 公開日 | 2023-06-07 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | A Unique Mode of Coenzyme A Binding to the Nucleotide Binding Pocket of Human Metastasis Suppressor NME1. Int J Mol Sci, 24, 2023
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8TXO
| E. coli DNA-directed RNA polymerase transcription elongation complex bound to the unnatural dZ-PTP base pair in the active site | 分子名称: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | 著者 | Aiyer, S, Shan, Z, Oh, J, Wang, D, Tan, Y.Z, Lyumkis, D. | 登録日 | 2023-08-23 | 公開日 | 2024-01-24 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Overcoming resolution attenuation during tilted cryo-EM data collection. Nat Commun, 15, 2024
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8PKW
| Kelch domain of KEAP1 in complex with a ortho-dimethylbenzene linked cyclic peptide 5 (ortho-WRCDPETaEC). | 分子名称: | (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Braun, M.B, Bischof, L, Hartmann, M.D. | 登録日 | 2023-06-27 | 公開日 | 2023-11-15 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders. J.Chem.Inf.Model., 63, 2023
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8PKX
| Kelch domain of KEAP1 in complex with a ortho-dimethylbenzene linked cyclic peptide 11 (ortho-WRCNPETaEC). | 分子名称: | (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Braun, M.B, Bischof, L, Hartmann, M.D. | 登録日 | 2023-06-27 | 公開日 | 2023-11-15 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders. J.Chem.Inf.Model., 63, 2023
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8PKU
| Kelch domain of KEAP1 in complex with ortho-dimethylbenzene linked cyclic peptide 3 (ortho-WRCDEETGEC). | 分子名称: | (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Braun, M.B, Bischof, L, Hartmann, M.D. | 登録日 | 2023-06-27 | 公開日 | 2023-11-15 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders. J.Chem.Inf.Model., 63, 2023
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8PKV
| Kelch domain of KEAP1 in complex with a ortho-dimethylbenzene linked cyclic peptide 4 (ortho-WRCDEETGEC). | 分子名称: | (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Braun, M.B, Bischof, L, Hartmann, M.D. | 登録日 | 2023-06-27 | 公開日 | 2023-11-15 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders. J.Chem.Inf.Model., 63, 2023
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4URW
| The crystal structure of H-Ras and SOS in complex with ligands | 分子名称: | 2-(2,6-DIMETHYLPHENYL)-4-(METHYLSULFANYL)-6-(PIPERAZIN-1-YL)-1,3,5-TRIAZINE, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1 | 著者 | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | 登録日 | 2014-07-02 | 公開日 | 2015-03-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | 主引用文献 | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation. J.Med.Chem., 58, 2015
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4OPR
| Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying G238S mutation | 分子名称: | CALCIUM ION, SULFATE ION, TEM-94 ES-beta-lactamase, ... | 著者 | Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S. | 登録日 | 2014-02-06 | 公開日 | 2015-05-20 | 最終更新日 | 2018-01-17 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder. J. Mol. Biol., 427, 2015
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4OQ0
| Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S/G238S mutation in complex with boron-based inhibitor EC25 | 分子名称: | 1,2-ETHANEDIOL, 3-[(2R)-2-{[(2R)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid, CALCIUM ION, ... | 著者 | Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S. | 登録日 | 2014-02-07 | 公開日 | 2015-05-20 | 最終更新日 | 2018-01-17 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder. J. Mol. Biol., 427, 2015
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4OQG
| Crystal structure of TEM-1 beta-lactamase in complex with boron-based inhibitor EC25 | 分子名称: | 3-[(2R)-2-{[(2R)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid, Ampicillin resistance protein, ZINC ION | 著者 | Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S. | 登録日 | 2014-02-09 | 公開日 | 2015-05-20 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder. J. Mol. Biol., 427, 2015
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4V2T
| Membrane embedded pleurotolysin pore with 13 fold symmetry | 分子名称: | PLEUROTOLYSIN A, PLEUROTOLYSIN B | 著者 | Lukoyanova, N, Kondos, S.C, Farabella, I, Law, R.H.P, Reboul, C.F, Caradoc-Davies, T.T, Spicer, B.A, Kleifeld, O, Perugini, M, Ekkel, S, Hatfaludi, T, Oliver, K, Hotze, E.M, Tweten, R.K, Whisstock, J.C, Topf, M, Dunstone, M.A, Saibil, H.R. | 登録日 | 2014-10-15 | 公開日 | 2015-02-18 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (11 Å) | 主引用文献 | Conformational Changes During Pore Formation by the Perforin-Related Protein Pleurotolysin. Plos Biol., 13, 2015
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4W1V
| Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a thiazole inhibitor | 分子名称: | 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, CHLORIDE ION, ... | 著者 | Finzel, B.C, Dai, R. | 登録日 | 2014-08-13 | 公開日 | 2015-02-04 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis. Chem.Biol., 22, 2015
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4UXZ
| Structure of delta7-DgkA-syn in 7.9 MAG to 2.18 angstrom resolution | 分子名称: | (2R)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, (2S)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, ACETATE ION, ... | 著者 | Li, D, Howe, N, Caffrey, M. | 登録日 | 2014-08-27 | 公開日 | 2015-09-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Ternary Structure Reveals Mechanism of a Membrane Diacylglycerol Kinase. Nat.Commun., 6, 2015
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4P0W
| Human farnesyl diphosphate synthase in complex with Arenarone and zoledronate | 分子名称: | 2-{[(1S,2R,4aS,8aR)-1,2,4a-trimethyl-5-methylidenedecahydronaphthalen-1-yl]methyl}cyclohexa-2,5-diene-1,4-dione, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | 著者 | Liu, Y.L, Oldfield, E. | 登録日 | 2014-02-23 | 公開日 | 2014-07-02 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.406 Å) | 主引用文献 | Taxodione and arenarone inhibit farnesyl diphosphate synthase by binding to the isopentenyl diphosphate site. Proc.Natl.Acad.Sci.USA, 111, 2014
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4PAN
| A conserved phenylalanine as relay between the 5 helix and the GDP binding region of heterotrimeric G protein | 分子名称: | CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | 著者 | Kaya, A.I, Lokits, A.D, Gilbert, J, Iverson, T.M, Meiler, J, Hamm, H.E. | 登録日 | 2014-04-09 | 公開日 | 2014-07-30 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | A Conserved Phenylalanine as a Relay between the alpha 5 Helix and the GDP Binding Region of Heterotrimeric Gi Protein alpha Subunit. J.Biol.Chem., 289, 2014
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4W8F
| Crystal structure of the dynein motor domain in the AMPPNP-bound state | 分子名称: | Dynein heavy chain lysozyme chimera, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | 著者 | Cheng, H.-C, Bhabha, G, Zhang, N, Vale, R.D. | 登録日 | 2014-08-24 | 公開日 | 2014-11-12 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (3.541 Å) | 主引用文献 | Allosteric communication in the Dynein motor domain. Cell, 159, 2014
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4URY
| The crystal structure of H-Ras and SOS in complex with ligands | 分子名称: | GTPASE HRAS, N-[(4-aminophenyl)sulfonyl]cyclopropanecarboxamide, SON OF SEVENLESS HOMOLOG 1 | 著者 | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | 登録日 | 2014-07-02 | 公開日 | 2015-03-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation. J.Med.Chem., 58, 2015
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4PDC
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4PAQ
| A conserved phenylalanine as relay between the 5 helix and the GDP binding region of heterotrimeric G protein | 分子名称: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, MAGNESIUM ION | 著者 | Kaya, A.I, Lokits, A.D, Gilbert, J, Iverson, T.M, Meiler, J, Hamm, H.E. | 登録日 | 2014-04-09 | 公開日 | 2014-07-30 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A Conserved Phenylalanine as a Relay between the alpha 5 Helix and the GDP Binding Region of Heterotrimeric Gi Protein alpha Subunit. J.Biol.Chem., 289, 2014
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4PHX
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4PJH
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4P0V
| Crystal structure of human farnesyl diphosphoate synthase in complex with zoledronate and taxodione | 分子名称: | (5beta)-11-hydroxyabieta-7,9(11),13-triene-6,12-dione, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | 著者 | Liu, Y.L, Oldfield, E. | 登録日 | 2014-02-23 | 公開日 | 2014-07-02 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Taxodione and arenarone inhibit farnesyl diphosphate synthase by binding to the isopentenyl diphosphate site. Proc.Natl.Acad.Sci.USA, 111, 2014
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