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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
8H9O
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BU of 8h9o by Molmil
Crystal structure of voltage-gated sodium channel NavAb N49K mutant in sodium ion condition
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHAPSO, DODECYL-BETA-D-MALTOSIDE, ...
著者Irie, K.
登録日2022-10-25
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献The structural basis of divalent cation block in a tetrameric prokaryotic sodium channel.
Nat Commun, 14, 2023
8H9W
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BU of 8h9w by Molmil
Crystal structure of voltage-gated sodium channel NavAb N49K mutant in calcium ion condition
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, CHAPSO, ...
著者Irie, K.
登録日2022-10-25
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The structural basis of divalent cation block in a tetrameric prokaryotic sodium channel.
Nat Commun, 14, 2023
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
5GUE
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BU of 5gue by Molmil
Crystal structure of CotB2 (GGSPP/Mg2+-Bound Form) from Streptomyces melanosporofaciens
分子名称: Cyclooctat-9-en-7-ol synthase, MAGNESIUM ION, phosphonooxy-[(10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanyl-phosphinic acid
著者Tomita, T, Kim, S.-Y, Ozaki, T, Yoshida, A, Kuzuyama, T, Nishiyama, M.
登録日2016-08-28
公開日2017-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Insights into the CotB2-Catalyzed Cyclization of Geranylgeranyl Diphosphate to the Diterpene Cyclooctat-9-en-7-ol
ACS Chem. Biol., 12, 2017
5GUC
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BU of 5guc by Molmil
Crystal structure of CotB2 (apo form) from Streptomyces melanosporofaciens
分子名称: Cyclooctat-9-en-7-ol synthase, FORMIC ACID
著者Tomita, T, Kim, S.-Y, Ozaki, T, Yoshida, A, Kuzuyama, T, Nishiyama, M.
登録日2016-08-28
公開日2017-06-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Insights into the CotB2-Catalyzed Cyclization of Geranylgeranyl Diphosphate to the Diterpene Cyclooctat-9-en-7-ol
ACS Chem. Biol., 12, 2017
7TVL
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BU of 7tvl by Molmil
Viral AMG chitosanase V-Csn, apo structure
分子名称: GLYCEROL, SULFATE ION, Viral chitosanase V-Csn
著者Smith, C.A, Wu, R, Buchko, G.W, Cort, J.R, Hofmockel, K.S, Jansson, J.K.
登録日2022-02-05
公開日2022-10-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (0.89 Å)
主引用文献Structural characterization of a soil viral auxiliary metabolic gene product - a functional chitosanase.
Nat Commun, 13, 2022
7TVN
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BU of 7tvn by Molmil
Viral AMG chitosanase V-Csn, D148N mutant
分子名称: GLYCEROL, SULFATE ION, Viral chitosanase V-Csn D148N mutant
著者Smith, C.A, Wu, R, Buchko, G.W, Cort, J.R, Hofmockel, K.S, Jansson, J.K.
登録日2022-02-05
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural characterization of a soil viral auxiliary metabolic gene product - a functional chitosanase.
Nat Commun, 13, 2022
7TVO
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BU of 7tvo by Molmil
Viral AMG chitosanase V-Csn, E157Q mutant
分子名称: GLYCEROL, SULFATE ION, Viral chitosanase V-Csn E157Q mutant
著者Smith, C.A, Wu, R, Buchko, G.W, Cort, J.R, Hofmockel, K.S, Jansson, J.K.
登録日2022-02-05
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structural characterization of a soil viral auxiliary metabolic gene product - a functional chitosanase.
Nat Commun, 13, 2022
6JUX
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BU of 6jux by Molmil
Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK-71807
分子名称: 4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{N}-(4-piperazin-1-ylphenyl)pyrimidin-2-amine, Activin receptor type-1, SULFATE ION
著者Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M.
登録日2019-04-15
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Basis of Activin Receptor-Like Kinase 2 (R206H) Inhibition by Bis-heteroaryl Pyrazole-Based Inhibitors for the Treatment of Fibrodysplasia Ossificans Progressiva Identified by the Integration of Ligand-Based and Structure-Based Drug Design Approaches.
Acs Omega, 5, 2020
3OGL
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BU of 3ogl by Molmil
Structure of COI1-ASK1 in complex with JA-isoleucine and the JAZ1 degron
分子名称: Coronatine-insensitive protein 1, JAZ1 incomplete degron peptide, N-({(1R,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetyl)-L-isoleucine, ...
著者Sheard, L.B, Tan, X, Mao, H, Withers, J, Ben-Nissan, G, Hinds, T.R, Hsu, F, Sharon, M, Browse, J, He, S.Y, Rizo, J, Howe, G.A, Zheng, N.
登録日2010-08-17
公開日2010-10-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Jasmonate perception by inositol-phosphate-potentiated COI1-JAZ co-receptor.
Nature, 468, 2010
3OGK
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BU of 3ogk by Molmil
Structure of COI1-ASK1 in complex with coronatine and an incomplete JAZ1 degron
分子名称: (1S,2S)-2-ethyl-1-({[(3aS,4S,6R,7aS)-6-ethyl-1-oxooctahydro-1H-inden-4-yl]carbonyl}amino)cyclopropanecarboxylic acid, Coronatine-insensitive protein 1, JAZ1 incomplete degron peptide, ...
著者Sheard, L.B, Tan, X, Mao, H, Withers, J, Ben-Nissan, G, Hinds, T.R, Hsu, F, Sharon, M, Browse, J, He, S.Y, Rizo, J, Howe, G.A, Zheng, N.
登録日2010-08-16
公開日2010-10-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Jasmonate perception by inositol-phosphate-potentiated COI1-JAZ co-receptor.
Nature, 468, 2010
3PYY
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BU of 3pyy by Molmil
Discovery and Characterization of a Cell-Permeable, Small-molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site
分子名称: (5R)-5-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]imidazolidine-2,4-dione, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, ...
著者Yang, J, Campobasso, N, Biju, M.P, Fisher, K, Pan, X.Q, Cottom, J, Galbraith, S, Ho, T, Zhang, H, Hong, X, Ward, P, Hofmann, G, Siegfried, B.
登録日2010-12-13
公開日2011-03-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery and Characterization of a Cell-Permeable, Small-Molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site.
Chem.Biol., 18, 2011
7EA6
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BU of 7ea6 by Molmil
Crystal structure of TCR-017 ectodomain
分子名称: T cell receptor 017 alpha chain, T cell receptor 017 beta chain
著者Nagae, M, Yamasaki, S.
登録日2021-03-06
公開日2021-10-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.18000245 Å)
主引用文献Identification of conserved SARS-CoV-2 spike epitopes that expand public cTfh clonotypes in mild COVID-19 patients.
J.Exp.Med., 218, 2021
6IO0
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BU of 6io0 by Molmil
Human IDH1 R132C mutant complexed with compound A.
分子名称: (2E)-3-{3-[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carbonyl]-1-methyl-1H-indol-7-yl}prop-2-enoic acid, CITRIC ACID, GLYCEROL, ...
著者Suzuki, M, Baba, D, Hanzawa, H.
登録日2018-10-29
公開日2019-10-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A Potent Blood-Brain Barrier-Permeable Mutant IDH1 Inhibitor Suppresses the Growth of Glioblastoma with IDH1 Mutation in a Patient-Derived Orthotopic Xenograft Model.
Mol.Cancer Ther., 19, 2020
3WEX
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BU of 3wex by Molmil
Crystal structure of HLA-DP5 in complex with Cry j 1-derived peptide (residues 214-222)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II antigen
著者Kusano, S, Kukimoto-Niino, M, Shirouzu, M, Yokoyama, S.
登録日2013-07-16
公開日2014-07-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for the specific recognition of the major antigenic peptide from the Japanese cedar pollen allergen Cry j 1 by HLA-DP5
J. Mol. Biol., 426, 2014
3WHA
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BU of 3wha by Molmil
Hsp90 alpha N-terminal domain in complex with a tricyclic inhibitor
分子名称: 4-{[4-amino-6-(5-chloro-1H,3H-benzo[de]isochromen-6-yl)-1,3,5-triazin-2-yl]sulfanyl}butanamide, GLYCEROL, Heat shock protein HSP 90-alpha, ...
著者Fukami, T.A, Ono, N.
登録日2013-08-23
公開日2014-01-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Design and synthesis of 2-amino-6-(1H,3H-benzo[de]isochromen-6-yl)-1,3,5-triazines as novel Hsp90 inhibitors
Bioorg.Med.Chem., 22, 2014
8KAD
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BU of 8kad by Molmil
Crystal structure of an antibody light chain tetramer with 3D domain swapping
分子名称: Antibody light chain
著者Sakai, T, Mashima, T, Kobayashi, N, Ogata, H, Uda, T, Hifumi, E, Hirota, S.
登録日2023-08-02
公開日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and thermodynamic insights into antibody light chain tetramer formation through 3D domain swapping.
Nat Commun, 14, 2023
5H18
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BU of 5h18 by Molmil
Crystal structure of catalytic domain of UGGT (UDP-glucose-bound form) from Thermomyces dupontii
分子名称: CALCIUM ION, GLYCEROL, UGGT, ...
著者Satoh, T, Zhu, T, Toshimori, T, Kamikubo, H, Uchihashi, T, Kato, K.
登録日2016-10-08
公開日2017-09-27
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Visualisation of a flexible modular structure of the ER folding-sensor enzyme UGGT.
Sci Rep, 7, 2017
4YDQ
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BU of 4ydq by Molmil
Crystal Structure of Prolyl-tRNA Synthetase (PRS) from Plasmodium falciparum in complex with Halofuginone and AMPPNP
分子名称: 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Jain, V, Yogavel, M, Sharma, A.
登録日2015-02-23
公開日2015-05-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of Prolyl-tRNA Synthetase-Halofuginone Complex Provides Basis for Development of Drugs against Malaria and Toxoplasmosis
Structure, 23, 2015
7CUF
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BU of 7cuf by Molmil
Crystal Structure of Urate Oxidase from Bacillus sp. TB-90 in the absence from Chloride Anion at 1.44 A resolution
分子名称: 2-METHOXYETHANOL, 8-AZAXANTHINE, OXYGEN MOLECULE, ...
著者Hibi, T, Itoh, T.
登録日2020-08-22
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Identification of quasi-stable water molecules near the Thr73-Lys13 catalytic diad of Bacillus sp. TB-90 urate oxidase by X-ray crystallography with controlled humidity.
J.Biochem., 169, 2021
7CUG
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BU of 7cug by Molmil
Crystal Structure of Urate Oxidase from Bacillus sp. TB-90 in the absence from Chloride Anion at 1.62 A resolution
分子名称: 2-METHOXYETHANOL, 8-AZAXANTHINE, OXYGEN MOLECULE, ...
著者Hibi, T, Itoh, T.
登録日2020-08-23
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Identification of quasi-stable water molecules near the Thr73-Lys13 catalytic diad of Bacillus sp. TB-90 urate oxidase by X-ray crystallography with controlled humidity.
J.Biochem., 169, 2021
7C3G
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BU of 7c3g by Molmil
Crystal structure of human ALK2 kinase domain with R206H mutation in complex with a bicyclic pyrazole inhibitor RK-73134
分子名称: 1,2-ETHANEDIOL, Activin receptor type-1, SULFATE ION, ...
著者Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M.
登録日2020-05-12
公開日2021-03-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Novel bicyclic pyrazoles as potent ALK2 (R206H) inhibitors for the treatment of fibrodysplasia ossificans progressiva.
Bioorg.Med.Chem.Lett., 38, 2021
4HA6
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BU of 4ha6 by Molmil
Crystal structure of pyridoxine 4-oxidase - pyridoxamine complex
分子名称: 4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-2-METHYLPYRIDIN-3-OL, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Mugo, A.N, Kobayashi, J, Mikami, B, Yagi, T.
登録日2012-09-25
公開日2013-06-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.095 Å)
主引用文献Crystal structure of pyridoxine 4-oxidase from Mesorhizobium loti.
Biochim.Biophys.Acta, 1834, 2013
7DZW
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BU of 7dzw by Molmil
Apo spike protein from SARS-CoV2
分子名称: Spike glycoprotein
著者Liu, Y, Soh, W.T, Li, S, Kishikawa, J, Hirose, M, Kato, T, Standley, D, Okada, M, Arase, H.
登録日2021-01-26
公開日2021-06-02
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献An infectivity-enhancing site on the SARS-CoV-2 spike protein targeted by antibodies.
Cell, 184, 2021

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