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4XS3
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BU of 4xs3 by Molmil
Crystal structure of a metabolic reductase with (E)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one
分子名称: (E)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zheng, B, Wu, F, Jiang, H, Kogiso, M, Yao, Y, Zhou, C, Li, X, Song, Y.
登録日2015-01-21
公開日2016-07-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.291 Å)
主引用文献Inhibition of Cancer-Associated Mutant Isocitrate Dehydrogenases by 2-Thiohydantoin Compounds.
J.Med.Chem., 58, 2015
4XRX
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BU of 4xrx by Molmil
Crystal structure of a metabolic reductase with (E)-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one
分子名称: 5-[(E)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]pyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zheng, B, Wu, F, Jiang, H, Kogiso, M, Yao, Y, Zhou, C, Li, X, Song, Y.
登録日2015-01-21
公開日2015-12-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Inhibition of Cancer-Associated Mutant Isocitrate Dehydrogenases by 2-Thiohydantoin Compounds.
J.Med.Chem., 58, 2015
8WB4
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BU of 8wb4 by Molmil
Structure of PSII-ACPII supercomplex from cryptophyte algae
分子名称: (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, ...
著者Li, X.Y, Mao, Z.Y, Shen, J.R, Han, G.Y.
登録日2023-09-08
公開日2024-06-05
実験手法ELECTRON MICROSCOPY (2.47 Å)
主引用文献Structure and distinct supramolecular organization of a PSII-ACPII dimer from a cryptophyte alga Chroomonas placoidea.
Nat Commun, 15, 2024
5UXZ
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BU of 5uxz by Molmil
X-ray crystal structure of Halotag bound to the P9 benzothiadiazole fluorogenic ligand
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Haloalkane dehalogenase, ...
著者Dunham, N.P, Boal, A.K.
登録日2017-02-23
公開日2017-03-08
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献The Cation-pi Interaction Enables a Halo-Tag Fluorogenic Probe for Fast No-Wash Live Cell Imaging and Gel-Free Protein Quantification.
Biochemistry, 56, 2017
8T6B
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BU of 8t6b by Molmil
Human VMAT2 in complex with serotonin
分子名称: SEROTONIN, Synaptic vesicular amine transporter
著者Pidathala, S, Dai, Y, Lee, C.H.
登録日2023-06-15
公開日2023-11-01
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献Mechanisms of neurotransmitter transport and drug inhibition in human VMAT2.
Nature, 623, 2023
8T69
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BU of 8t69 by Molmil
Human VMAT2 in complex with tetrabenazine
分子名称: Synaptic vesicular amine transporter, tetrabenazine
著者Pidathala, S, Dai, Y, Lee, C.H.
登録日2023-06-15
公開日2023-11-01
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Mechanisms of neurotransmitter transport and drug inhibition in human VMAT2.
Nature, 623, 2023
8T6A
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BU of 8t6a by Molmil
Human VMAT2 in complex with reserpine
分子名称: Synaptic vesicular amine transporter, reserpine
著者Pidathala, S, Dai, Y, Lee, C.H.
登録日2023-06-15
公開日2023-11-01
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Mechanisms of neurotransmitter transport and drug inhibition in human VMAT2.
Nature, 623, 2023
7MU0
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BU of 7mu0 by Molmil
MtbEttA in the ADP bound state
分子名称: ADENOSINE-5'-DIPHOSPHATE, Energy-dependent translational throttle protein EttA, MAGNESIUM ION
著者Cui, Z, Zhang, J.
登録日2021-05-14
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Interplay between an ATP-binding cassette F protein and the ribosome from Mycobacterium tuberculosis.
Nat Commun, 13, 2022
2AFV
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BU of 2afv by Molmil
The Crystal Structure of Putative Precorrin Isomerase CbiC in Cobalamin Biosynthesis
分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, HEXAETHYLENE GLYCOL, ...
著者Xue, Y, Wei, Z.
登録日2005-07-26
公開日2006-04-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The crystal structure of putative precorrin isomerase CbiC in cobalamin biosynthesis
J.Struct.Biol., 153, 2006
8T5F
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BU of 8t5f by Molmil
De novo design of high-affinity protein binders to bioactive helical peptides
分子名称: Parathyroid hormone
著者Torres, S.V, Leung, P.J.Y, Bera, A.K, Baker, D, Kang, A.
登録日2023-06-13
公開日2024-01-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献De novo design of high-affinity binders of bioactive helical peptides.
Nature, 626, 2024
8I87
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BU of 8i87 by Molmil
Cryo-EM structure of TIR-APAZ/Ago-gRNA-DNA complex
分子名称: DNA (5'-D(P*TP*AP*TP*AP*CP*AP*AP*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*CP*A)-3'), MAGNESIUM ION, Piwi domain-containing protein, ...
著者Zhang, H, Deng, Z.Q, Yu, G.M, Li, X.Z, Wang, X.S.
登録日2023-02-03
公開日2023-07-19
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into mechanisms of Argonaute protein-associated NADase activation in bacterial immunity.
Cell Res., 33, 2023
8QRN
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BU of 8qrn by Molmil
mt-SSU in GTPBP8 knock-out cells, state 4
分子名称: 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ...
著者Valentin Gese, G, Cipullo, M, Rorbach, J, Hallberg, B.M.
登録日2023-10-09
公開日2024-06-26
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献GTPBP8 plays a role in mitoribosome formation in human mitochondria.
Nat Commun, 15, 2024
8T5E
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BU of 8t5e by Molmil
De novo design of high-affinity protein binders to bioactive helical peptides
分子名称: Bcl-2-like protein 11, Bim_fulldiff
著者Torres, S.V, Leung, P.J.Y, Bera, A.K, Baker, D, Kang, A.
登録日2023-06-13
公開日2024-01-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献De novo design of high-affinity binders of bioactive helical peptides.
Nature, 626, 2024
7F3B
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BU of 7f3b by Molmil
cocrystallization of Escherichia coli dihydrofolate reductase (DHFR) and its pyrrolo[3,2-f]quinazoline inhibitor.
分子名称: 7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine, Dihydrofolate reductase, GLYCEROL
著者Wang, H, You, X.F, Yang, X.Y, Li, Y, Hong, W.
登録日2021-06-16
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献The discovery of 1, 3-diamino-7H-pyrrol[3, 2-f]quinazoline compounds as potent antimicrobial antifolates.
Eur.J.Med.Chem., 228, 2022
4ZSE
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BU of 4zse by Molmil
Crystal structure of EGFR 696-1022 T790M/V948R, crystal form II
分子名称: 1,2-ETHANEDIOL, Epidermal growth factor receptor, MAGNESIUM ION, ...
著者Yan, X.E, Yun, C.H.
登録日2015-05-13
公開日2016-06-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Ibrutinib Selectively and Irreversibly Targets EGFR-mutant non-Small Cell Lung Cancer Cells
To Be Published
5UY1
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BU of 5uy1 by Molmil
X-ray crystal structure of apo Halotag
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Haloalkane dehalogenase
著者Dunham, N.P, Boal, A.K.
登録日2017-02-23
公開日2017-03-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献The Cation-pi Interaction Enables a Halo-Tag Fluorogenic Probe for Fast No-Wash Live Cell Imaging and Gel-Free Protein Quantification.
Biochemistry, 56, 2017
4YHF
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BU of 4yhf by Molmil
Bruton's tyrosine kinase in complex with a t-butyl cyanoacrylamide inhibitor
分子名称: (2S)-2-({(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}carbonyl)-4,4-dimethylpentanenitrile, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Paavilainen, V.O, McFarland, J.M, Taunton, J.
登録日2015-02-27
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Prolonged and tunable residence time using reversible covalent kinase inhibitors.
Nat.Chem.Biol., 11, 2015
5TJ7
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BU of 5tj7 by Molmil
Structure of WWP2 WW2-2,3-linker-HECT aa 334-398 linked to 485-865
分子名称: CHLORIDE ION, NEDD4-like E3 ubiquitin-protein ligase WWP2, SODIUM ION, ...
著者Chen, Z, Gabelli, S.B.
登録日2016-10-03
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A Tunable Brake for HECT Ubiquitin Ligases.
Mol. Cell, 66, 2017
5TJQ
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BU of 5tjq by Molmil
Structure of WWP2 2,3-linker-HECT
分子名称: NEDD4-like E3 ubiquitin-protein ligase WWP2,NEDD4-like E3 ubiquitin-protein ligase WWP2
著者Chen, Z, Gabelli, S.B.
登録日2016-10-04
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献A Tunable Brake for HECT Ubiquitin Ligases.
Mol. Cell, 66, 2017
7SFR
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BU of 7sfr by Molmil
Unmethylated Mtb Ribosome 50S with SEQ-9
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Xing, Z, Cui, Z, Zhang, J, TB Structural Genomics Consortium (TBSGC)
登録日2021-10-04
公開日2022-10-12
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Discovery of natural-product-derived sequanamycins as potent oral anti-tuberculosis agents.
Cell, 186, 2023
7XTU
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BU of 7xtu by Molmil
The structure of TfCut S130A
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2022-05-18
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
7XTR
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BU of 7xtr by Molmil
The apo structure of the engineered TfCut
分子名称: GLYCEROL, LITHIUM ION, SULFATE ION, ...
著者Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2022-05-18
公開日2023-03-29
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
2F2O
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BU of 2f2o by Molmil
Structure of calmodulin bound to a calcineurin peptide: a new way of making an old binding mode
分子名称: CALCIUM ION, Calmodulin fused with calmodulin-binding domain of calcineurin
著者Ye, Q, Wong, A, Jia, Z.
登録日2005-11-17
公開日2006-02-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structure of calmodulin bound to a calcineurin Peptide: a new way of making an old binding mode.
Biochemistry, 45, 2006
8JFU
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BU of 8jfu by Molmil
AcrIIA15 in complex with palindromic DNA substrate
分子名称: AcrIIA15, DNA (5'-D(*AP*TP*TP*AP*TP*GP*AP*CP*AP*AP*AP*TP*GP*TP*CP*AP*TP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*AP*TP*GP*AP*CP*AP*TP*TP*TP*GP*TP*CP*AP*TP*AP*A)-3')
著者Deng, X, Wang, Y.
登録日2023-05-18
公開日2024-02-28
最終更新日2024-09-11
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献An anti-CRISPR that represses its own transcription while blocking Cas9-target DNA binding.
Nat Commun, 15, 2024
8JFT
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BU of 8jft by Molmil
Cryo-EM structure of SaCas9-AcrIIA15 CTD-sgRNA complex
分子名称: AcrIIA15, CRISPR-associated endonuclease Cas9, sgRNA of SaCas9
著者Deng, X, Wang, Y.
登録日2023-05-18
公開日2024-02-28
最終更新日2024-09-11
実験手法ELECTRON MICROSCOPY (3.31 Å)
主引用文献An anti-CRISPR that represses its own transcription while blocking Cas9-target DNA binding.
Nat Commun, 15, 2024

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