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6IFN
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BU of 6ifn by Molmil
Crystal structure of Type III-A CRISPR Csm complex
分子名称: MANGANESE (II) ION, RNA (32-MER), Type III-A CRISPR-associated RAMP protein Csm3, ...
著者You, L, Wang, J, Wang, Y.
登録日2018-09-20
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference
Cell, 176, 2019
6IFZ
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BU of 6ifz by Molmil
Type III-A Csm complex, Cryo-EM structure of Csm-CTR2-ssDNA complex
分子名称: CTR2, Type III-A CRISPR-associated RAMP protein Csm3, Type III-A CRISPR-associated RAMP protein Csm4, ...
著者You, L, Ma, J, Wang, J, Zhang, X, Wang, Y.
登録日2018-09-21
公開日2018-12-12
最終更新日2019-01-23
実験手法ELECTRON MICROSCOPY (3.58 Å)
主引用文献Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference
Cell, 176, 2019
6IFK
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BU of 6ifk by Molmil
Cryo-EM structure of type III-A Csm-CTR1 complex, AMPPNP bound
分子名称: CTR1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者You, L, Ma, J, Wang, J, Zhang, X, Wang, Y.
登録日2018-09-20
公開日2018-12-12
最終更新日2019-01-23
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference
Cell, 176, 2019
6IFR
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BU of 6ifr by Molmil
Type III-A Csm complex, Cryo-EM structure of Csm-NTR, ATP bound
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Type III-A CRISPR-associated RAMP protein Csm3, ...
著者You, L, Ma, J, Wang, J, Zhang, X, Wang, Y.
登録日2018-09-21
公開日2018-12-12
最終更新日2019-01-23
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference
Cell, 176, 2019
6IFL
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BU of 6ifl by Molmil
Cryo-EM structure of type III-A Csm-NTR complex
分子名称: NTR, Type III-A CRISPR-associated RAMP protein Csm3, Type III-A CRISPR-associated RAMP protein Csm4, ...
著者You, L, Ma, J, Wang, J, Zhang, X, Wang, Y.
登録日2018-09-20
公開日2018-12-12
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference
Cell, 176, 2019
7T4B
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BU of 7t4b by Molmil
Structure of SARS-CoV-2 3CL protease in complex with inhibitor 14c
分子名称: (1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ...
著者Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O.
登録日2021-12-09
公開日2021-12-22
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
7T45
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BU of 7t45 by Molmil
Structure of SARS-CoV-2 3CL protease in complex with inhibitor 7c
分子名称: (1S,2S)-2-{[N-({[7-(tert-butoxycarbonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, TETRAETHYLENE GLYCOL
著者Lovell, S, Kashipathy, M.M, Battaile, K.P, Kankanamalage, A.C.G, Kim, Y, Groutas, W.C, Chang, K.O.
登録日2021-12-09
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
7T41
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BU of 7t41 by Molmil
Structure of MERS 3CL protease in complex with inhibitor 14c
分子名称: (1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, 3C-like proteinase
著者Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O.
登録日2021-12-09
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
6IG0
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BU of 6ig0 by Molmil
Type III-A Csm complex, Cryo-EM structure of Csm-CTR1, ATP bound
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CTR1, MAGNESIUM ION, ...
著者You, L, Ma, J, Wang, J, Zhang, X, Wang, Y.
登録日2018-09-21
公開日2018-12-12
最終更新日2019-01-23
実験手法ELECTRON MICROSCOPY (3.37 Å)
主引用文献Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference
Cell, 176, 2019
6IFY
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BU of 6ify by Molmil
Type III-A Csm complex, Cryo-EM structure of Csm-CTR1
分子名称: CTR1, Type III-A CRISPR-associated RAMP protein Csm3, Type III-A CRISPR-associated RAMP protein Csm4, ...
著者You, L, Ma, J, Wang, J, Zhang, X, Wang, Y.
登録日2018-09-21
公開日2018-12-12
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference
Cell, 176, 2019
7F18
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BU of 7f18 by Molmil
Crystal Structure of a mutant of acid phosphatase from Pseudomonas aeruginosa (Q57H/W58P/D135R)
分子名称: Acid phosphatase
著者Xu, X, Hou, X.D, Song, W, Yin, D.J, Rao, Y.J, Liu, L.M.
登録日2021-06-08
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Local Electric Field Modulated Reactivity of Pseudomonas aeruginosa Acid Phosphatase for Enhancing Phosphorylation of l-Ascorbic Acid
Acs Catalysis, 11, 2021
7F17
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BU of 7f17 by Molmil
Crystal Structure of acid phosphatase
分子名称: Acid phosphatase
著者Xu, X, Hou, X.D, Song, W, Rao, Y.J, Liu, L.M, Wu, J.
登録日2021-06-08
公開日2021-10-27
最終更新日2022-05-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Local Electric Field Modulated Reactivity of Pseudomonas aeruginosa Acid Phosphatase for Enhancing Phosphorylation of l-Ascorbic Acid
Acs Catalysis, 11, 2021
9B21
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BU of 9b21 by Molmil
Crystal structure of ADP-ribose diphosphatase from Klebsiella pneumoniae (ADP Ribose bound, Orthorhombic P form)
分子名称: ADP-ribose pyrophosphatase, MAGNESIUM ION, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2024-03-14
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of ADP-ribose diphosphatase from Klebsiella pneumoniae (ADP Ribose bound, Orthorhombic P form)
To be published
6IFU
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BU of 6ifu by Molmil
Cryo-EM structure of type III-A Csm-CTR2-dsDNA complex
分子名称: CTR2, Type III-A CRISPR-associated RAMP protein Csm3, Type III-A CRISPR-associated RAMP protein Csm4, ...
著者You, L, Ma, J, Wang, J, Zhang, X, Wang, Y.
登録日2018-09-21
公開日2018-12-12
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference
Cell, 176, 2019
7KHL
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BU of 7khl by Molmil
BRD4-BD1 Compound6 (methyl 4-(3,5-difluoropyridin-2-yl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxylate)
分子名称: Bromodomain-containing protein 4, GLYCEROL, methyl 7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxylate
著者Murray, J.M.
登録日2020-10-21
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.286 Å)
主引用文献Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy.
J.Med.Chem., 64, 2021
7KHH
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BU of 7khh by Molmil
Ternary complex of VHL/BRD4-BD1/Compound9 (4-(3,5-difluoropyridin-2-yl)-N-(11-(((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-11-oxoundecyl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxamide)
分子名称: Bromodomain-containing protein 4, Elongin-B, Elongin-C, ...
著者Murray, J.M.
登録日2020-10-21
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.281 Å)
主引用文献Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy.
J.Med.Chem., 64, 2021
7ZGM
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BU of 7zgm by Molmil
Plant N-glycan specific alpha-1,3-mannosidase
分子名称: CALCIUM ION, Glycoside hydrolase family 92 protein, POTASSIUM ION, ...
著者Basle, A, Crouch, L, Bolam, D.
登録日2022-04-04
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Plant N -glycan breakdown by human gut Bacteroides.
Proc.Natl.Acad.Sci.USA, 119, 2022
7ZGN
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BU of 7zgn by Molmil
Plant/insect N-glycan active PNGase
分子名称: Glpgli family protein
著者Basle, A, Crouch, L, Bolam, D.
登録日2022-04-04
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Plant N -glycan breakdown by human gut Bacteroides.
Proc.Natl.Acad.Sci.USA, 119, 2022
7KGY
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BU of 7kgy by Molmil
Beta-glucuronidase from Faecalibacterium prausnitzii bound to the inhibitor UNC10201652-glucuronide
分子名称: 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3 -c]isoquinoline, Beta-glucuronidase, GLYCEROL
著者Simpson, J.B, Redinbo, M.R.
登録日2020-10-19
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Microbial enzymes induce colitis by reactivating triclosan in the mouse gastrointestinal tract.
Nat Commun, 13, 2022
7KGZ
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BU of 7kgz by Molmil
FMN-binding beta-glucuronidase from Roseburia hominis
分子名称: Beta-glucuronidase, CALCIUM ION, FLAVIN MONONUCLEOTIDE, ...
著者Walker, M.E, Redinbo, M.R.
登録日2020-10-19
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Microbial enzymes induce colitis by reactivating triclosan in the mouse gastrointestinal tract.
Nat Commun, 13, 2022
4I80
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BU of 4i80 by Molmil
Crystal structure of human menin in complex with a high-affinity macrocyclic peptidomimetics
分子名称: Menin, macrocyclic peptidomimetic
著者Huang, J, Lei, M.
登録日2012-12-01
公開日2013-03-06
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure-Based Design of High-Affinity Macrocyclic Peptidomimetics to Block the Menin-Mixed Lineage Leukemia 1 (MLL1) Protein-Protein Interaction.
J.Med.Chem., 56, 2013
4L6Q
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BU of 4l6q by Molmil
ROCK2 in complex with benzoxaborole
分子名称: 6-[4-(aminomethyl)-2-fluorophenoxy]-2,1-benzoxaborol-1(3H)-ol, Rho-associated protein kinase 2
著者Rock, F, Jarnagin, K.
登録日2013-06-12
公開日2013-10-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Linking phenotype to kinase: identification of a novel benzoxaborole hinge-binding motif for kinase inhibition and development of high-potency rho kinase inhibitors.
J.Pharmacol.Exp.Ther., 347, 2013
7M0I
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BU of 7m0i by Molmil
Crystal structure of a human metapneumovirus subtype B2 trimeric fusion protein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F1, Fusion glycoprotein F2
著者Huang, J, Mousa, J.J.
登録日2021-03-11
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Structure, Immunogenicity, and Conformation-Dependent Receptor Binding of the Postfusion Human Metapneumovirus F Protein.
J.Virol., 95, 2021
7LBQ
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Crystal structure of human Survivin bound to histone H3 T3phK4me2 peptide
分子名称: Baculoviral IAP repeat-containing protein 5, ZINC ION, histone H3 T3phK4me2 peptide
著者Niedzialkowska, E, Minor, W, Stukenberg, P.T.
登録日2021-01-08
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Tip60 acetylation of histone H3K4 temporally controls chromosome passenger complex localization.
Mol.Biol.Cell, 33, 2022
7LBK
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Crystal structure of human Survivin bound to histone H3 T3phK4me3 peptide
分子名称: Baculoviral IAP repeat-containing protein 5, ZINC ION, histone H3 T3phK4me3 peptide
著者Niedzialkowska, E, Minor, W, Stukenberg, P.T.
登録日2021-01-08
公開日2022-01-12
最終更新日2022-08-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Tip60 acetylation of histone H3K4 temporally controls chromosome passenger complex localization.
Mol.Biol.Cell, 33, 2022

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件を2024-10-09に公開中

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