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6QL1
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Crystal structure of chimeric carbonic anhydrase VI with 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide
分子名称: 1,2-ETHANEDIOL, 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide, BICINE, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2019-01-31
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Engineered Carbonic Anhydrase VI-Mimic Enzyme Switched the Structure and Affinities of Inhibitors.
Sci Rep, 9, 2019
7E6F
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BU of 7e6f by Molmil
Crystal structure of PMP-bound form of cysteine desulfurase SufS R376A from Bacillus subtilis in L-cycloserine-inhibition
分子名称: 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Cysteine desulfurase SufS, ...
著者Nakamura, R, Takahashi, Y, Fujishiro, T.
登録日2021-02-22
公開日2022-03-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms.
Febs J., 289, 2022
7BY5
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Tetanus neurotoxin mutant-(H233A/E234Q/H237A/Y375F)
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Zhang, C.M, Imoto, Y, Fukuda, Y, Yamashita, E, Inoue, T.
登録日2020-04-21
公開日2021-02-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural flexibility of the tetanus neurotoxin revealed by crystallographic and solution scattering analyses.
J Struct Biol X, 5, 2021
7BEC
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BU of 7bec by Molmil
Unusual structural features in the adduct of dirhodium tetraacetate with lysozyme (5)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Lysozyme, ...
著者Loreto, D, Ferraro, G, Merlino, A.
登録日2020-12-23
公開日2021-02-24
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme.
Int J Mol Sci, 22, 2021
7BEB
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BU of 7beb by Molmil
Unusual structural features in the adduct of dirhodium tetraacetate with lysozyme (4)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Lysozyme, ...
著者Loreto, D, Ferraro, G, Merlino, A.
登録日2020-12-23
公開日2021-02-24
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme.
Int J Mol Sci, 22, 2021
5X4M
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BU of 5x4m by Molmil
Crystal structure of the BCL6 BTB domain in complex with Compound 1
分子名称: B-cell lymphoma 6 protein, N-phenyl-1,3,5-triazine-2,4-diamine
著者Sogabe, S, Ida, K, Lane, W, Snell, G.
登録日2017-02-13
公開日2017-05-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
8DQK
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BU of 8dqk by Molmil
Intermediate resolution structure of barley (1,3;1,4)-beta-glucan synthase CslF6.
分子名称: Cellulose synthase-like CslF6
著者Ho, R, Purushotham, P, Zimmer, J.
登録日2022-07-19
公開日2022-11-30
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Mechanism of mixed-linkage glucan biosynthesis by barley cellulose synthase-like CslF6 (1,3;1,4)-beta-glucan synthase.
Sci Adv, 8, 2022
3IUB
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BU of 3iub by Molmil
Crystal structure of pantothenate synthetase from Mycobacterium tuberculosis in complex with 5-Methoxy-N-(5-methylpyridin-2-ylsulfonyl)-1H-indole-2-carboxamide
分子名称: 1,2-ETHANEDIOL, 5-methoxy-N-[(5-methylpyridin-2-yl)sulfonyl]-1H-indole-2-carboxamide, ETHANOL, ...
著者Silvestre, H.L, Hung, A.W, Wen, S, Ciulli, A, Blundell, T.L, Abell, C.
登録日2009-08-31
公開日2009-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase.
Angew.Chem.Int.Ed.Engl., 48, 2009
6B8O
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BU of 6b8o by Molmil
WT Ig-like V Domain with Phosphatidylserine
分子名称: 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Sudom, A, Wang, Z.
登録日2017-10-09
公開日2018-06-27
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular basis for the loss-of-function effects of the Alzheimer's disease-associated R47H variant of the immune receptor TREM2.
J. Biol. Chem., 293, 2018
7BE1
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BU of 7be1 by Molmil
X-ray structure of Hen Egg White Lysozyme with dirhodium tetraacetate (3)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Lysozyme, ...
著者Loreto, D, Merlino, A, Ferraro, G.
登録日2020-12-22
公開日2021-02-24
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme.
Int J Mol Sci, 22, 2021
7BE0
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BU of 7be0 by Molmil
X-ray structure of Hen Egg White Lysozyme with dirhodium tetraacetate (2)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Lysozyme, ...
著者Loreto, D, Merlino, A, Ferraro, G.
登録日2020-12-22
公開日2021-02-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme.
Int J Mol Sci, 22, 2021
6B3V
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BU of 6b3v by Molmil
PANK3 complex with compound PZ-2891
分子名称: 1,2-ETHANEDIOL, 6-(4-{[4-(propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile, MAGNESIUM ION, ...
著者White, S.W, Yun, M.
登録日2017-09-25
公開日2018-08-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献A therapeutic approach to pantothenate kinase associated neurodegeneration.
Nat Commun, 9, 2018
5GN5
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BU of 5gn5 by Molmil
Crystal structure of glycerol kinase from Trypanosoma brucei gambiense complexed with cumarin derivative-17
分子名称: 4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-7,8-bis(oxidanyl)chromen-2-one, GLYCEROL, Glycerol kinase
著者Balogun, E.O, Inaoka, D.K, Shiba, T, Tsuge, T, May, B, Sato, T, Kido, Y, Takeshi, N, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Michels, P.A.M, Watanabe, Y, Moore, A.L, Harada, S, Kita, K.
登録日2016-07-19
公開日2017-07-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Discovery of trypanocidal coumarins with dual inhibition of both the glycerol kinase and alternative oxidase ofTrypanosoma brucei brucei.
Faseb J., 33, 2019
7EBA
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BU of 7eba by Molmil
Co-crystal of kurarinone with sEH
分子名称: (2S)-2-[2,4-bis(oxidanyl)phenyl]-5-methoxy-8-[(2R)-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]-7-oxidanyl-2,3-dihydrochromen-4-one, Bifunctional epoxide hydrolase 2
著者Sun, C.P, Ma, X.C.
登録日2021-03-09
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Kurarinone alleviated Parkinson's disease via stabilization of epoxyeicosatrienoic acids in animal model.
Proc.Natl.Acad.Sci.USA, 119, 2022
8TSM
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BU of 8tsm by Molmil
Crystal structure of chicken Netrin-1 LN LE1-2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Netrin-1
著者Heide, F, Rafiei, F, Stetefeld, J.
登録日2023-08-11
公開日2024-08-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Investigation of the dynamic nature of Netrin-1 on dependence receptor signaling
To Be Published
8D10
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BU of 8d10 by Molmil
Crystal Structure of EcDsbA in a complex with (1-methyl-1H-pyrazol-5-yl)methanamine
分子名称: 1-(1-methyl-1H-pyrazol-5-yl)methanamine, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
著者Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
登録日2022-05-26
公開日2022-12-07
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
8OQY
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BU of 8oqy by Molmil
Structure of apo form of human gamma-secretase PSEN1 APH-1B isoform reconstituted into lipid nanodisc
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Odorcic, I, Chavez Gutierrez, L, Efremov, R.G.
登録日2023-04-12
公開日2024-04-24
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Apo and A beta 46-bound gamma-secretase structures provide insights into amyloid-beta processing by the APH-1B isoform.
Nat Commun, 15, 2024
7V9M
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BU of 7v9m by Molmil
Cryo-EM structure of the GHRH-bound human GHRHR splice variant 1 complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Cong, Z.T, Zhou, F.L, Zhang, C, Zou, X.Y, Zhang, H.B, Wang, Y.Z, Zhou, Q.T, Cai, X.Q, Liu, Q.F, Li, J, Shao, L.J, Mao, C.Y, Wang, X, Wu, J.H, Xia, T, Zhao, L.H, Jiang, H.L, Zhang, Y, Xu, H.E, Chen, X, Yang, D.H, Wang, M.W.
登録日2021-08-26
公開日2021-10-20
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献Constitutive signal bias mediated by the human GHRHR splice variant 1.
Proc.Natl.Acad.Sci.USA, 118, 2021
4TPL
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BU of 4tpl by Molmil
West Nile Virus Non-structural protein 1 (NS1) Form 1 crystal
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, OXTOXYNOL-10, ...
著者Akey, D.L, Smith, J.L.
登録日2014-06-08
公開日2014-10-15
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Use of massively multiple merged data for low-resolution S-SAD phasing and refinement of flavivirus NS1.
Acta Crystallogr.,Sect.D, 70, 2014
9AY7
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BU of 9ay7 by Molmil
Crystal structure of CRAF/MEK1 complex with NST-628 and inactive RAF
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Quade, B, Huang, X.
登録日2024-03-07
公開日2024-04-17
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献The Pan-RAF-MEK Nondegrading Molecular Glue NST-628 Is a Potent and Brain-Penetrant Inhibitor of the RAS-MAPK Pathway with Activity across Diverse RAS- and RAF-Driven Cancers.
Cancer Discov, 14, 2024
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
5A66
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BU of 5a66 by Molmil
Crystal structure of AtTTM3 in complex with tripolyphosphate and manganese ion (form A)
分子名称: 1,2-ETHANEDIOL, MANGANESE (II) ION, TRIPHOSPHATE, ...
著者Martinez, J, Truffault, V, Hothorn, M.
登録日2015-06-24
公開日2015-08-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Determinants for Substrate Binding and Catalysis in Triphosphate Tunnel Metalloenzymes.
J.Biol.Chem., 290, 2015
9AXX
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BU of 9axx by Molmil
Crystal structure of BRAF/MEK1 complex with NST-628 and an active RAF dimer
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Quade, B, Huang, X.
登録日2024-03-06
公開日2024-04-17
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献The Pan-RAF-MEK Nondegrading Molecular Glue NST-628 Is a Potent and Brain-Penetrant Inhibitor of the RAS-MAPK Pathway with Activity across Diverse RAS- and RAF-Driven Cancers.
Cancer Discov, 14, 2024
6EWB
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BU of 6ewb by Molmil
Crystal structure of GII.4 UNSW 2012 P domain in complex with Fab 10E9
分子名称: 1,2-ETHANEDIOL, Fab heavy chain, Fab light chain, ...
著者Koromyslova, A.D, Hansman, G.S.
登録日2017-11-03
公開日2018-11-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Human Norovirus Neutralized by a Monoclonal Antibody Targeting the Histo-Blood Group Antigen Pocket.
J.Virol., 93, 2019
7REN
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BU of 7ren by Molmil
Room temperature serial crystal structure of Glutaminase C in complex with inhibitor UPGL-00004
分子名称: 2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial
著者Milano, S.K, Finke, A, Cerione, R.A.
登録日2021-07-13
公開日2022-05-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献New insights into the molecular mechanisms of glutaminase C inhibitors in cancer cells using serial room temperature crystallography.
J.Biol.Chem., 298, 2022

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件を2025-10-08に公開中

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