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4RB0
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BU of 4rb0 by Molmil
Crystal structure of Magnetospirillum gryphiswaldense MSR-1 SeMet-Apo-Fur
分子名称: CITRATE ANION, DNA-binding transcriptional dual regulator of siderophore biosynthesis and transport(Fur family), SULFATE ION
著者Deng, Z, Chen, Z.
登録日2014-09-12
公開日2015-07-15
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mechanistic insights into metal ion activation and operator recognition by the ferric uptake regulator.
Nat Commun, 6
8R7R
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BU of 8r7r by Molmil
human connexin36 gap junction channel in complex with quinidine
分子名称: Gap junction delta-2 protein, Quinidine
著者Ding, X.Y, Blum, T.B, Korkhov, V.M.
登録日2023-11-27
公開日2024-10-30
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Structural basis of connexin-36 gap junction channel inhibition.
Cell Discov, 10, 2024
6SLC
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BU of 6slc by Molmil
Mutations in SsgB correlate to longitudinal cell division during sporulation of Streptomyces coelicolor
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, PHOSPHATE ION, ...
著者Xiao, X.S, Willemse, J.
登録日2019-08-19
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Ectopic positioning of the cell division plane is associated with single amino acid substitutions in the FtsZ-recruiting SsgB in Streptomyces .
Open Biology, 11, 2021
6LPI
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BU of 6lpi by Molmil
Crystal Structure of AHAS holo-enzyme
分子名称: Acetolactate synthase isozyme 1 large subunit, Acetolactate synthase isozyme 1 small subunit, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Zhang, Y, Yang, X, Xi, Z, Shen, Y.
登録日2020-01-10
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.849 Å)
主引用文献Molecular architecture of the acetohydroxyacid synthase holoenzyme.
Biochem.J., 477, 2020
6RNV
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BU of 6rnv by Molmil
The crystal structure of Thermosynechococcus elongatus protochlorophyllide oxidoreductase (POR)
分子名称: CHLORIDE ION, Thermosynechococcus elongatus protochlorophyllide oxidoreductase (POR)
著者Levy, C.W.
登録日2019-05-09
公開日2019-10-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Structural basis for enzymatic photocatalysis in chlorophyll biosynthesis.
Nature, 574, 2019
4RB1
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BU of 4rb1 by Molmil
Crystal structure of Magnetospirillum gryphiswaldense MSR-1 Fur-Mn2+-E. coli Fur box
分子名称: DNA (5'-D(*CP*GP*CP*GP*AP*TP*AP*AP*TP*GP*AP*TP*AP*AP*TP*CP*AP*TP*TP*AP*TP*CP*CP*GP*C)-3'), DNA-binding transcriptional dual regulator of siderophore biosynthesis and transport(Fur family), MANGANESE (II) ION
著者Deng, Z, Chen, Z.
登録日2014-09-12
公開日2015-07-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Mechanistic insights into metal ion activation and operator recognition by the ferric uptake regulator.
Nat Commun, 6
5CZA
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BU of 5cza by Molmil
Yeast 20S proteasome beta5-D166N mutant
分子名称: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
著者Huber, E.M, Groll, M.
登録日2015-07-31
公開日2016-03-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome.
Nat Commun, 7, 2016
5CZ9
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BU of 5cz9 by Molmil
Yeast 20S proteasome beta5-D17N mutant in complex with Carfilzomib; Propeptide expressed in trans
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者Huber, E.M, Groll, M.
登録日2015-07-31
公開日2016-03-23
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome.
Nat Commun, 7, 2016
5CZ4
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BU of 5cz4 by Molmil
Yeast 20S proteasome at 2.3 A resolution
分子名称: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
著者Huber, E.M, Groll, M.
登録日2015-07-31
公開日2016-03-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome.
Nat Commun, 7, 2016
5D0V
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BU of 5d0v by Molmil
Yeast 20S proteasome beta5-T1C mutant in complex with Carfilzomib
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者Huber, E.M, Groll, M.
登録日2015-08-03
公開日2016-03-23
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome.
Nat Commun, 7, 2016
8PO3
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BU of 8po3 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 18 bound to EGFR[V948R]
分子名称: 2-methyl-5-[[3-[1-[(3~{S})-1-propanoylpyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, Epidermal growth factor receptor
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PO1
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BU of 8po1 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 22 bound to EGFRinsNPG [V948R]
分子名称: 2-methyl-5-[[3-[1-[(3~{S},5~{R})-5-methyl-1-propanoyl-pyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, Epidermal growth factor receptor, IODIDE ION
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PNZ
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BU of 8pnz by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 16 bound to EGFR
分子名称: 1-[(3~{S})-3-[4-(6,7-dimethoxyquinazolin-4-yl)-3-(3-methoxyphenyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one, Epidermal growth factor receptor
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
5D0S
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BU of 5d0s by Molmil
Yeast 20S proteasome beta5-D166N mutant in complex with Carfilzomib
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者Huber, E.M, Groll, M.
登録日2015-08-03
公開日2016-03-23
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome.
Nat Commun, 7, 2016
5CZ6
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BU of 5cz6 by Molmil
Yeast 20S proteasome beta5-T1A mutant in complex with Syringolin A, propeptide expressed in trans
分子名称: (2S)-2-[[(2S)-1-[[(5S,8S,9E)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododeca-3,9-dien-8-yl]amino]-3-methyl-1-oxo-butan-2-yl]carbamoylamino]-3-methyl-butanoic acid, CHLORIDE ION, MAGNESIUM ION, ...
著者Huber, E.M, Groll, M.
登録日2015-07-31
公開日2016-03-23
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome.
Nat Commun, 7, 2016
5DB0
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BU of 5db0 by Molmil
Menin in complex with MI-352
分子名称: 1-[(2R)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, 1-[(2S)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1 H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ...
著者Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J.
登録日2015-08-20
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL).
J.Med.Chem., 59, 2016
5DB3
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BU of 5db3 by Molmil
Menin in complex with MI-574
分子名称: 6-methoxy-4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Pollock, J, Borkin, D, Cierpicki, T, Grembecka, J.
登録日2015-08-20
公開日2016-03-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL).
J.Med.Chem., 59, 2016
5DDG
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BU of 5ddg by Molmil
The structure of transcriptional factor AraR from Bacteroides thetaiotaomicron VPI in complex with target double strand DNA
分子名称: DNA (27-MER), FORMIC ACID, MALONIC ACID, ...
著者Chang, C, Tesar, C, Rodionov, D, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2015-08-24
公開日2015-09-09
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献A novel transcriptional regulator of L-arabinose utilization in human gut bacteria.
Nucleic Acids Res., 43, 2015
5DD4
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BU of 5dd4 by Molmil
Apo structure of transcriptional factor AraR from Bacteroides thetaiotaomicron VPI
分子名称: 1,2-ETHANEDIOL, ACETATE ION, TRANSCRIPTIONAL REGULATOR AraR
著者Chang, C, Tesar, C, Rodionov, D, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2015-08-24
公開日2015-09-09
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献A novel transcriptional regulator of L-arabinose utilization in human gut bacteria.
Nucleic Acids Res., 43, 2015
5D0T
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BU of 5d0t by Molmil
Yeast 20S proteasome beta5-D166N mutant in complex with MG132
分子名称: CHLORIDE ION, MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide, ...
著者Huber, E.M, Groll, M.
登録日2015-08-03
公開日2016-03-23
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome.
Nat Commun, 7, 2016
5CZ7
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BU of 5cz7 by Molmil
Yeast 20S proteasome beta5-T1A beta5-K81R double mutant in complex with Bortezomib, propeptide expressed in cis
分子名称: CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ...
著者Huber, E.M, Groll, M.
登録日2015-07-31
公開日2016-03-23
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome.
Nat Commun, 7, 2016
5D0X
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BU of 5d0x by Molmil
Yeast 20S proteasome beta5-T1S mutant in complex with Bortezomib
分子名称: CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ...
著者Huber, E.M, Groll, M.
登録日2015-08-03
公開日2016-03-23
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome.
Nat Commun, 7, 2016
6C7R
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BU of 6c7r by Molmil
BRD4 BD1 in complex with compound CF53
分子名称: Bromodomain-containing protein 4, N-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine
著者Meagher, J.L, Stuckey, J.A.
登録日2018-01-23
公開日2018-08-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor.
J. Med. Chem., 61, 2018
8PO2
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Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFRinsNPG [V948R]
分子名称: 1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide, Epidermal growth factor receptor
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PO0
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Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 12 bound to EGFRinsNPG
分子名称: 1-[3-[7-methoxy-4-[3-(3-methoxyphenyl)-1~{H}-pyrazol-4-yl]quinazolin-6-yl]oxyazetidin-1-yl]propan-1-one, Epidermal growth factor receptor
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.523 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024

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