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6NPV
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BU of 6npv by Molmil
C-abl Kinase domain with the activator(cmpd51), N-(1-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-4,5-dihydro-1H-pyrazol-3-yl)isonicotinamide
分子名称: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, NONAETHYLENE GLYCOL, ...
著者campobasso, N.
登録日2019-01-18
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
6NPU
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BU of 6npu by Molmil
C-abl Kinase domain with the activator(cmpd29), N-(1-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)acetamide
分子名称: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, NONAETHYLENE GLYCOL, ...
著者Campobasso, N.
登録日2019-01-18
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
4FHA
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BU of 4fha by Molmil
Structure of Dihydrodipicolinate Synthase from Streptococcus pneumoniae,bound to pyruvate and lysine
分子名称: Dihydrodipicolinate synthase, LYSINE, SODIUM ION
著者Perugini, M.A, Dogovski, C, Parker, M.W, Gorman, M.A.
登録日2012-06-06
公開日2013-09-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structure, Function, Stability and Knockout Phenotype of Dihydrodipicolinate Synthase from Streptococcus pneumoniae
To be Published
6RNW
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BU of 6rnw by Molmil
The crystal structure of Thermosynechococcus elongatus protochlorophyllide oxidoreductase (POR) in complex with NADP.
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-protochlorophyllide oxidoreductase
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 (1.92 Å)
主引用文献Structural basis for enzymatic photocatalysis in chlorophyll biosynthesis.
Nature, 574, 2019
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
8K98
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BU of 8k98 by Molmil
Cryo-EM structure of DSR2-TTP
分子名称: a protein
著者Zhang, H, Li, Z, Li, X.Z.
登録日2023-07-31
公開日2024-05-01
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Insights into the modulation of bacterial NADase activity by phage proteins.
Nat Commun, 15, 2024
8K9A
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BU of 8k9a by Molmil
Cryo-EM structure of DSR2-DSAD1 state 2
分子名称: SIR2-like domain-containing protein, SPbeta prophage-derived uncharacterized protein YotI
著者Zhang, H, Li, Z, Li, X.Z.
登録日2023-07-31
公開日2024-05-01
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Insights into the modulation of bacterial NADase activity by phage proteins.
Nat Commun, 15, 2024
8GZJ
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BU of 8gzj by Molmil
Crystal structure of Cd2+-bound DNA aptamer
分子名称: 25-mer DNA, BARIUM ION, CADMIUM ION
著者Gan, J.H, Liu, H.H, Gao, Y.Q.
登録日2022-09-27
公開日2023-08-09
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.093 Å)
主引用文献Crystal structures and identification of novel Cd2+-specific DNA aptamer.
Nucleic Acids Res., 51, 2023
8GZL
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BU of 8gzl by Molmil
Crystal structure of Cd2+-bound DNA aptamer
分子名称: 25-mer DNA, BARIUM ION, CADMIUM ION
著者Gan, J.H, Liu, H.H, Gao, Y.Q.
登録日2022-09-27
公開日2023-08-09
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structures and identification of novel Cd2+-specific DNA aptamer.
Nucleic Acids Res., 51, 2023
8GZK
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BU of 8gzk by Molmil
Crystal structure of Cd2+-bound DNA aptamer T10A mutant
分子名称: 25-mer DNA, BARIUM ION, CADMIUM ION
著者Gan, J.H, Liu, H.H, Gao, Y.Q.
登録日2022-09-27
公開日2023-08-09
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Crystal structures and identification of novel Cd2+-specific DNA aptamer.
Nucleic Acids Res., 51, 2023
8GZM
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BU of 8gzm by Molmil
Crystal structure of Cd2+-bound DNA aptamer T22C mutant
分子名称: 25-mer DNA, BARIUM ION, CADMIUM ION
著者Gan, J.H, Liu, H.H, Gao, Y.Q.
登録日2022-09-27
公開日2023-08-09
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structures and identification of novel Cd2+-specific DNA aptamer.
Nucleic Acids Res., 51, 2023
6TNT
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BU of 6tnt by Molmil
SUMOylated apoAPC/C with repositioned APC2 WHB domain
分子名称: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
著者Barford, D, Yatskevich, S.
登録日2019-12-10
公開日2021-01-13
最終更新日2021-07-28
実験手法ELECTRON MICROSCOPY (3.78 Å)
主引用文献Molecular mechanisms of APC/C release from spindle assembly checkpoint inhibition by APC/C SUMOylation.
Cell Rep, 34, 2021
6TKZ
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BU of 6tkz by Molmil
Crystal structure of the DHR2 domain of DOCK10 in complex with CDC42
分子名称: Cell division control protein 42 homolog, Dedicator of cytokinesis protein 10, GLYCEROL, ...
著者Barford, D.
登録日2019-11-29
公開日2020-01-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structural basis for CDC42 and RAC activation by the dual specificity GEF DOCK10
Biorxiv, 2022
6UKG
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BU of 6ukg by Molmil
HhaI endonuclease in Complex With DNA in space group P21 (pH 4.2)
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*AP*GP*CP*GP*CP*AP*AP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*TP*TP*GP*CP*GP*CP*TP*TP*GP*GP*A)-3'), ...
著者Horton, J.R, Cheng, X.
登録日2019-10-04
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Structure of HhaI endonuclease with cognate DNA at an atomic resolution of 1.0 angstrom.
Nucleic Acids Res., 48, 2020
6UKF
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BU of 6ukf by Molmil
HhaI endonuclease in Complex with DNA at 1 Angstrom Resolution
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Horton, J.R, Cheng, X.
登録日2019-10-04
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Structure of HhaI endonuclease with cognate DNA at an atomic resolution of 1.0 angstrom.
Nucleic Acids Res., 48, 2020
6UKI
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BU of 6uki by Molmil
HhaI endonuclease in Complex with DNA in space group P212121 (pH 6.0)
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DNA (5'-D(*CP*TP*GP*TP*TP*GP*CP*GP*CP*TP*TP*GP*GP*A)-3'), ...
著者Horton, J.R, Cheng, X.
登録日2019-10-04
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of HhaI endonuclease with cognate DNA at an atomic resolution of 1.0 angstrom.
Nucleic Acids Res., 48, 2020
6UKE
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BU of 6uke by Molmil
HhaI endonuclease in Complex with Iodine-Labelled DNA
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Horton, J.R, Cheng, X.
登録日2019-10-04
公開日2019-12-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structure of HhaI endonuclease with cognate DNA at an atomic resolution of 1.0 angstrom.
Nucleic Acids Res., 48, 2020
6UKA
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BU of 6uka by Molmil
Crystal structure of RHOG and ELMO complex
分子名称: Engulfment and cell motility protein 2, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Jo, C.H, Killoran, R.C, Smith, M.J.
登録日2019-10-04
公開日2020-08-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the DOCK2-ELMO1 complex provides insights into regulation of the auto-inhibited state.
Nat Commun, 11, 2020
6UKH
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BU of 6ukh by Molmil
HhaI endonuclease in Complex with DNA in space group P41212 (pH 6.0)
分子名称: CALCIUM ION, DNA (5'-D(*CP*CP*AP*AP*GP*CP*GP*CP*AP*AP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*TP*TP*GP*CP*GP*CP*TP*TP*GP*G)-3'), ...
著者Horton, J.R, Cheng, X.
登録日2019-10-04
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Structure of HhaI endonuclease with cognate DNA at an atomic resolution of 1.0 angstrom.
Nucleic Acids Res., 48, 2020
7YTV
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BU of 7ytv by Molmil
Crystal structure of Aspergillus fumigatus Thioredoxin reductase in complex with auranofin
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioredoxin reductase
著者Lin, W.
登録日2022-08-16
公開日2023-06-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.866 Å)
主引用文献In vitro antifungal and antibiofilm activities of auranofin against itraconazole-resistant Aspergillus fumigatus.
J Mycol Med, 33, 2023
8FTI
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BU of 8fti by Molmil
Cryo-EM structure of the Cas13bt3-crRNA-target RNA ternary complex in activated state
分子名称: Integrase, crRNA-linker-target hairpin RNA
著者Gao, Y, Deng, X.
登録日2023-01-12
公開日2023-09-27
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural basis for the activation of a compact CRISPR-Cas13 nuclease.
Nat Commun, 14, 2023
8H59
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BU of 8h59 by Molmil
A fungal MAP kinase in complex with an inhibitor
分子名称: Mitogen-activated protein kinase MPS1, ~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-8-[2-methoxy-5-(trifluoromethyloxy)phenyl]-1,6-naphthyridine-2-carboxamide
著者Kong, Z, Zhang, X, Wang, D, Liu, J.
登録日2022-10-12
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-Aided Identification of an Inhibitor Targets Mps1 for the Management of Plant-Pathogenic Fungi.
Mbio, 14, 2023
7F7W
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BU of 7f7w by Molmil
JAK2-JH2
分子名称: 2-((1-(2-fluoro-4-((4-(1-isopropyl-1H-pyrazol-4-yl)-5-methylpyrimidin-2-yl)amino)phenyl)piperidin-4-yl)(methyl)amino)ethan-1-ol, Tyrosine-protein kinase JAK2
著者Niu, L.
登録日2021-06-30
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Preclinical studies of Flonoltinib Maleate, a novel JAK2/FLT3 inhibitor, in treatment of JAK2 V617F -induced myeloproliferative neoplasms.
Blood Cancer J, 12, 2022
2MY1
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BU of 2my1 by Molmil
Solution structure of Bud31p
分子名称: Pre-mRNA-splicing factor BUD31, ZINC ION
著者van Roon, A.M, Yang, J, Mathieu, D, Bermel, W, Nagai, K, Neuhaus, D.
登録日2015-01-19
公開日2015-03-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献(113) Cd NMR Experiments Reveal an Unusual Metal Cluster in the Solution Structure of the Yeast Splicing Protein Bud31p.
Angew.Chem.Int.Ed.Engl., 54, 2015
6VIE
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BU of 6vie by Molmil
Structure of caspase-1 in complex with gasdermin D
分子名称: Caspase-1 subunit p10, Caspase-1 subunit p20, Gasdermin-D
著者Liu, Z, Xiao, T.S.
登録日2020-01-13
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Caspase-1 Engages Full-Length Gasdermin D through Two Distinct Interfaces That Mediate Caspase Recruitment and Substrate Cleavage.
Immunity, 53, 2020

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