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7PE8
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BU of 7pe8 by Molmil
cryo-EM structure of DEPTOR bound to human mTOR complex 2, focussed on one protomer
分子名称: ACETYL GROUP, DEP domain-containing mTOR-interacting protein, INOSITOL HEXAKISPHOSPHATE, ...
著者Waelchli, M, Maier, T.
登録日2021-08-09
公開日2021-09-08
最終更新日2021-09-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Regulation of human mTOR complexes by DEPTOR.
Elife, 10, 2021
7PE7
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BU of 7pe7 by Molmil
cryo-EM structure of DEPTOR bound to human mTOR complex 2, overall refinement
分子名称: ACETYL GROUP, DEP domain-containing mTOR-interacting protein, INOSITOL HEXAKISPHOSPHATE, ...
著者Waelchli, M, Maier, T.
登録日2021-08-09
公開日2021-09-15
最終更新日2021-09-29
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献Regulation of human mTOR complexes by DEPTOR.
Elife, 10, 2021
7PEA
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BU of 7pea by Molmil
cryo-EM structure of DEPTOR bound to human mTOR complex 1, overall refinement
分子名称: DEP domain-containing mTOR-interacting protein, INOSITOL HEXAKISPHOSPHATE, Regulatory-associated protein of mTOR, ...
著者Waelchli, M, Maier, T.
登録日2021-08-09
公開日2021-09-08
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (4.07 Å)
主引用文献Regulation of human mTOR complexes by DEPTOR.
Elife, 10, 2021
2QNQ
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BU of 2qnq by Molmil
HIV-1 Protease in complex with a chloro decorated pyrrolidine-based inhibitor
分子名称: CHLORIDE ION, Gag-Pol polyprotein (Pr160Gag-Pol), N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(N-benzyl-2-chlorobenzenesulfonamide)
著者Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G.
登録日2007-07-19
公開日2008-04-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold.
J.Med.Chem., 51, 2008
3GEU
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BU of 3geu by Molmil
Crystal Structure of IcaR from Staphylococcus aureus, a member of the tetracycline repressor protein family
分子名称: CHLORIDE ION, FORMIC ACID, Intercellular adhesion protein R, ...
著者Anderson, S.M, Brunzelle, J.S, Wawrzak, Z, Skarina, T, Papazisi, L, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-02-26
公開日2009-03-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of IcaR from Staphylococcus aureus, a member of the tetracycline repressor protein family
To be Published
7PJ1
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BU of 7pj1 by Molmil
Solution structure of isolated Drosophila histone H2A-H2B heterodimer
分子名称: Histone H2A, Histone H2B
著者van Ingen, H, Zhang, H.
登録日2021-08-23
公開日2021-12-08
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Mapping the electrostatic potential of the nucleosome acidic patch.
Sci Rep, 11, 2021
5U8L
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BU of 5u8l by Molmil
Crystal structure of EGFR kinase domain in complex with a sulfonyl fluoride probe XO44
分子名称: 4-[(4-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-6-[(prop-2-yn-1-yl)carbamoyl]pyrimidin-2-yl}piperazin-1-yl)methyl]benzene-1-sulfonyl fluoride, Epidermal growth factor receptor, GLYCEROL, ...
著者Gajiwala, K.S, Ferre, R.
登録日2016-12-14
公開日2017-01-25
最終更新日2017-02-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Broad-Spectrum Kinase Profiling in Live Cells with Lysine-Targeted Sulfonyl Fluoride Probes.
J. Am. Chem. Soc., 139, 2017
6SB2
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BU of 6sb2 by Molmil
cryo-EM structure of mTORC1 bound to active RagA/C GTPases
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Ras-related GTP-binding protein A, ...
著者Anandapadamanaban, M, Berndt, A, Masson, G.R, Perisic, O, Williams, R.L.
登録日2019-07-18
公開日2019-10-16
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (6.2 Å)
主引用文献Architecture of human Rag GTPase heterodimers and their complex with mTORC1.
Science, 366, 2019
2M9W
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BU of 2m9w by Molmil
Solution NMR Structure of Transcription Factor GATA-4 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR4783B
分子名称: Transcription factor GATA-4, ZINC ION
著者Xu, X, Eletsky, A, Lee, D, Kohn, E, Janjua, H, Xiao, R, Acton, T.B, Everett, J.K, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2013-06-20
公開日2013-07-10
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of a Transcription Factor GATA-4 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR4783B
To be Published
5UG9
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BU of 5ug9 by Molmil
Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide
分子名称: 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ...
著者Gajiwala, K.S, Ferre, R.A.
登録日2017-01-07
公開日2017-03-22
最終更新日2018-10-10
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
4NCG
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BU of 4ncg by Molmil
Discovery of Doravirine, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses
分子名称: 3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT
著者Yan, Y.
登録日2013-10-24
公開日2014-02-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Discovery of MK-1439, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses.
Bioorg.Med.Chem.Lett., 24, 2014
5F8K
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BU of 5f8k by Molmil
Crystal structure of the Bac7(1-16) antimicrobial peptide bound to the Thermus thermophilus 70S ribosome
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Seefeldt, A.C, Graf, M, Perebaskine, N, Nguyen, F, Arenz, S, Mardirossian, M, Scocchi, M, Wilson, D.N, Innis, C.A.
登録日2015-12-09
公開日2016-02-03
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the mammalian antimicrobial peptide Bac7(1-16) bound within the exit tunnel of a bacterial ribosome.
Nucleic Acids Res., 44, 2016
2ID3
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BU of 2id3 by Molmil
Crystal structure of transcriptional regulator SCO5951 from Streptomyces coelicolor A3(2)
分子名称: CALCIUM ION, CHLORIDE ION, Putative transcriptional regulator
著者Grabowski, M, Chruszcz, M, Koclega, K.D, Cymborowski, M, Gu, J, Xu, X, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
登録日2006-09-14
公開日2006-10-17
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献

5FDU
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BU of 5fdu by Molmil
Crystal structure of the Metalnikowin I antimicrobial peptide bound to the Thermus thermophilus 70S ribosome
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Seefeldt, A.C, Graf, M, Perebaskine, N, Nguyen, F, Arenz, S, Mardirossian, M, Scocchi, M, Wilson, D.N, Innis, C.A.
登録日2015-12-16
公開日2016-01-27
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of the mammalian antimicrobial peptide Bac7(1-16) bound within the exit tunnel of a bacterial ribosome.
Nucleic Acids Res., 44, 2016
2PRG
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BU of 2prg by Molmil
LIGAND-BINDING DOMAIN OF THE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA
分子名称: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), NUCLEAR RECEPTOR COACTIVATOR SRC-1, ...
著者Nolte, R.T, Wisely, G.B, Milburn, M.V.
登録日1998-08-14
公開日1999-07-19
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Ligand binding and co-activator assembly of the peroxisome proliferator-activated receptor-gamma.
Nature, 395, 1998
2J4A
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BU of 2j4a by Molmil
Human Thyroid hormone receptor beta ligand binding domain in complex with KB131084
分子名称: 3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACID, THYROID HORMONE RECEPTOR BETA-1
著者Farnegardh, M.
登録日2006-08-28
公開日2007-09-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Thyroid Receptor Ligands. 6. A High Affinity "Direct Antagonist" Selective for the Thyroid Hormone Receptor.
J.Med.Chem., 49, 2006
7XBE
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BU of 7xbe by Molmil
co-crystal structure of CcpE-RD with citrate
分子名称: CITRATE ANION, LysR family transcriptional regulator, SODIUM ION
著者Lan, L.F, Chen, F.F, Gan, J.H.
登録日2022-03-21
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献co-crystal structure of CcpE-RD with citrate
To Be Published
5FDV
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BU of 5fdv by Molmil
Crystal structure of the Pyrrhocoricin antimicrobial peptide bound to the Thermus thermophilus 70S ribosome
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Seefeldt, A.C, Graf, M, Perebaskine, N, Nguyen, F, Arenz, S, Mardirossian, M, Scocchi, M, Wilson, D.N, Innis, C.A.
登録日2015-12-16
公開日2016-01-27
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the mammalian antimicrobial peptide Bac7(1-16) bound within the exit tunnel of a bacterial ribosome.
Nucleic Acids Res., 44, 2016
2Z3K
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BU of 2z3k by Molmil
complex structure of LF-transferase and rAF
分子名称: 2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, D(-)-TARTARIC ACID, Leucyl/phenylalanyl-tRNA-protein transferase, ...
著者Watanabe, K, Toh, Y, Tomita, K.
登録日2007-06-04
公開日2007-10-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Protein-based peptide-bond formation by aminoacyl-tRNA protein transferase
Nature, 449, 2007
5HCR
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BU of 5hcr by Molmil
Crystal structure of antimicrobial peptide Oncocin 10wt bound to the Thermus thermophilus 70S ribosome
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Gagnon, M.G, Roy, R.N, Lomakin, I.B, Florin, T, Mankin, A.S, Steitz, T.A.
登録日2016-01-04
公開日2016-04-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structures of proline-rich peptides bound to the ribosome reveal a common mechanism of protein synthesis inhibition.
Nucleic Acids Res., 44, 2016
1GOL
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BU of 1gol by Molmil
COORDINATES OF RAT MAP KINASE ERK2 WITH AN ARGININE MUTATION AT POSITION 52
分子名称: ADENOSINE-5'-TRIPHOSPHATE, EXTRACELLULAR REGULATED KINASE 2, MAGNESIUM ION
著者Harkins, P.C, Zhang, F, Goldsmith, E.J.
登録日1996-01-23
公開日1997-03-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mutation of position 52 in ERK2 creates a nonproductive binding mode for adenosine 5'-triphosphate.
Biochemistry, 35, 1996
2Z3M
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BU of 2z3m by Molmil
complex structure of LF-transferase and dAF
分子名称: (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, D(-)-TARTARIC ACID, Leucyl/phenylalanyl-tRNA-protein transferase, ...
著者Watanabe, K, Toh, Y, Tomita, K.
登録日2007-06-04
公開日2007-10-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Protein-based peptide-bond formation by aminoacyl-tRNA protein transferase
Nature, 449, 2007
5HG8
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BU of 5hg8 by Molmil
EGFR (L858R, T790M, V948R) in complex with N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]prop-2-enamide
分子名称: Epidermal growth factor receptor, GLYCEROL, N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]propanamide, ...
著者Gajiwala, K.S.
登録日2016-01-08
公開日2016-02-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants.
J.Med.Chem., 59, 2016
5HG9
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BU of 5hg9 by Molmil
EGFR (L858R, T790M, V948R) in complex with 1-[(3R,4R)-3-[({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrrolidin-1-yl]prop-2-en-1-one
分子名称: 1-[(3R,4R)-3-[({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one, Epidermal growth factor receptor, GLYCEROL, ...
著者Gajiwala, K.S.
登録日2016-01-08
公開日2016-02-03
最終更新日2016-03-23
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants.
J.Med.Chem., 59, 2016
1ZUG
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BU of 1zug by Molmil
STRUCTURE OF PHAGE 434 CRO PROTEIN, NMR, 20 STRUCTURES
分子名称: PHAGE 434 CRO PROTEIN
著者Padmanabhan, S, Jimenez, M.A, Gonzalez, C, Sanz, J.M, Gimenez-Gallego, G, Rico, M.
登録日1997-03-14
公開日1997-07-07
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Three-dimensional solution structure and stability of phage 434 Cro protein.
Biochemistry, 36, 1997

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