6H8S
 
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8TBG
 | | Tricomplex of RMC-7977, HRAS WT, and CypA | | 分子名称: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GLYCEROL, GTPase HRas, ... | | 著者 | Chen, A, Tomlinson, A.C.A, Knox, J.E, Yano, J.K. | | 登録日 | 2023-06-28 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.
Nature, 629, 2024
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6R7S
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5WKL
 | | 1.85 A resolution structure of MERS 3CL protease in complex with piperidine-based peptidomimetic inhibitor 17 | | 分子名称: | (1R,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, Orf1a protein | | 著者 | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Chang, K.O, Groutas, W.C. | | 登録日 | 2017-07-25 | | 公開日 | 2018-04-04 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element.
Eur J Med Chem, 150, 2018
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8BJD
 | | Full length structure of LpMIP with bound inhibitor JK095 | | 分子名称: | (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ... | | 著者 | Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A. | | 登録日 | 2022-11-04 | | 公開日 | 2023-09-06 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Legionella pneumophila macrophage infectivity potentiator protein appendage domains modulate protein dynamics and inhibitor binding.
Int.J.Biol.Macromol., 252, 2023
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6H83
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6H85
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8TBJ
 | | Tricomplex of RMC-7977, KRAS G12A, and CypA | | 分子名称: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, 1,2-ETHANEDIOL, GLYCEROL, ... | | 著者 | Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K. | | 登録日 | 2023-06-28 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.
Nature, 629, 2024
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7R5Y
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8BK4
 | | Full length structure of the apo-state LpMIP. | | 分子名称: | (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-[(1~{S})-1-pyridin-2-ylethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, GLYCEROL, Macrophage infectivity potentiator, ... | | 著者 | Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A. | | 登録日 | 2022-11-08 | | 公開日 | 2023-09-06 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | | 主引用文献 | Legionella pneumophila macrophage infectivity potentiator protein appendage domains modulate protein dynamics and inhibitor binding.
Int.J.Biol.Macromol., 252, 2023
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8T9W
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6H89
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6H0F
 | | Structure of DDB1-CRBN-pomalidomide complex bound to IKZF1(ZF2) | | 分子名称: | DNA damage-binding protein 1,DNA damage-binding protein 1,DNA damage-binding protein 1,DNA damage-binding protein 1, DNA-binding protein Ikaros, Protein cereblon, ... | | 著者 | Petzold, G, Bunker, R.D, Thoma, N.H. | | 登録日 | 2018-07-09 | | 公開日 | 2018-11-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | | 主引用文献 | Defining the human C2H2 zinc finger degrome targeted by thalidomide analogs through CRBN.
Science, 362, 2018
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8BK5
 | | A structure of the truncated LpMIP with bound inhibitor JK095. | | 分子名称: | (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase, SODIUM ION | | 著者 | Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A. | | 登録日 | 2022-11-08 | | 公開日 | 2023-09-06 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Legionella pneumophila macrophage infectivity potentiator protein appendage domains modulate protein dynamics and inhibitor binding.
Int.J.Biol.Macromol., 252, 2023
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6H2T
 | | GlnH bound to Glu, Mycobacterium tuberculosis | | 分子名称: | GLUTAMIC ACID, Probable glutamine-binding lipoprotein GlnH (GLNBP) | | 著者 | O'Hare, H.M, Wallis, R, Lin, L.Y, Newland-Smith, Z. | | 登録日 | 2018-07-16 | | 公開日 | 2018-07-25 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | An Aspartate-Specific Solute-Binding Protein Regulates Protein Kinase G Activity To Control Glutamate Metabolism in Mycobacteria.
MBio, 9, 2018
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7LDG
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8BN0
 | | Bacteroides thetaiotaomicron surface protein BT1954 bound to | | 分子名称: | CHLORIDE ION, COB(II)INAMIDE, CYANIDE ION, ... | | 著者 | Abellon-Ruiz, J, Jana, K, Silale, A, Basle, A, Kleinekathofer, U, van den Berg, B. | | 登録日 | 2022-11-11 | | 公開日 | 2023-08-16 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | BtuB TonB-dependent transporters and BtuG surface lipoproteins form stable complexes for vitamin B 12 uptake in gut Bacteroides.
Nat Commun, 14, 2023
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6ZQP
 | | Structure of the Pmt2-MIR domain with bound ligands | | 分子名称: | GLYCEROL, PMT2 isoform 1, SULFATE ION, ... | | 著者 | Wild, K, Chiapparino, A, Hackmann, Y, Mortensen, S, Sinning, I. | | 登録日 | 2020-07-10 | | 公開日 | 2020-12-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Functional implications of MIR domains in protein O -mannosylation.
Elife, 9, 2020
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8TOQ
 | | ACE2-peptide 1 complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ... | | 著者 | Christie, M, Payne, R.J. | | 登録日 | 2023-08-03 | | 公開日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity.
Acs Chem.Biol., 19, 2024
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6DQT
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6ZQS
 | | Crystal structure of double-phosphorylated p38alpha with ATF2(83-102) | | 分子名称: | 2-[(2,4-difluorophenyl)amino]-7-{[(2R)-2,3-dihydroxypropyl]oxy}-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one, Cyclic AMP-dependent transcription factor ATF-2, Mitogen-activated protein kinase 14 | | 著者 | Kirsch, K, Sok, P, Poti, A.L, Remenyi, A. | | 登録日 | 2020-07-10 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Co-regulation of the transcription controlling ATF2 phosphoswitch by JNK and p38.
Nat Commun, 11, 2020
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8TBH
 | | Tricomplex of RMC-7977, KRAS G12R, and CypA | | 分子名称: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GTPase KRas, MAGNESIUM ION, ... | | 著者 | Bar Ziv, T, Zhang, D, Tomlinson, A.C.A, Knox, J.E, Yano, J.K. | | 登録日 | 2023-06-28 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.
Nature, 629, 2024
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7R1K
 | | Phosphorylated Bacillus pumilus Lipase A | | 分子名称: | DIETHYL PHOSPHONATE, Lipase, OXALOACETATE ION | | 著者 | Lund, B.A. | | 登録日 | 2022-02-03 | | 公開日 | 2022-05-25 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure and Mechanism of a Cold-Adapted Bacterial Lipase
Biochemistry, 61, 2022
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5FF8
 | | TDG enzyme-product complex | | 分子名称: | DNA, G/T mismatch-specific thymine DNA glycosylase | | 著者 | Pozharski, E, Malik, S.S, Drohat, A.C. | | 登録日 | 2015-12-18 | | 公開日 | 2016-09-28 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural basis of damage recognition by thymine DNA glycosylase: Key roles for N-terminal residues.
Nucleic Acids Res., 44, 2016
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8TOS
 | | ACE2-peptide 6 complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ... | | 著者 | Christie, M, Payne, R. | | 登録日 | 2023-08-03 | | 公開日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity.
Acs Chem.Biol., 19, 2024
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