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1Y2Y
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BU of 1y2y by Molmil
Structural Characterization of Nop10p using Nuclear Magnetic Resonance Spectroscopy
分子名称: Ribosome biogenesis protein Nop10
著者Khanna, M, Wu, H, Johansson, C, Caizergues-Ferrer, M, Feigon, J.
登録日2004-11-23
公開日2005-12-06
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural study of the H/ACA snoRNP components Nop10p and the 3' hairpin of U65 snoRNA
RNA, 12, 2006
3SZB
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BU of 3szb by Molmil
Crystal structure of human ALDH3A1 modified with the beta-elimination product of Aldi-1; 1-phenyl- 2-propen-1-one
分子名称: 1-phenylpropan-1-one, ACETATE ION, Aldehyde dehydrogenase, ...
著者Khanna, M, Hurley, T.D.
登録日2011-07-18
公開日2011-11-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Discovery of a novel class of covalent inhibitor for aldehyde dehydrogenases.
J.Biol.Chem., 286, 2011
3SZA
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BU of 3sza by Molmil
Crystal structure of human ALDH3A1 - apo form
分子名称: ACETATE ION, Aldehyde dehydrogenase, dimeric NADP-preferring, ...
著者Khanna, M, Hurley, T.D.
登録日2011-07-18
公開日2011-11-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Discovery of a novel class of covalent inhibitor for aldehyde dehydrogenases.
J.Biol.Chem., 286, 2011
5UQC
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BU of 5uqc by Molmil
Crystal structure of mouse CRMP2
分子名称: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Dihydropyrimidinase-related protein 2
著者Khanna, M, Khanna, R, Perez-Miller, S, Francois-Moutal, L.
登録日2017-02-07
公開日2017-03-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献A single structurally conserved SUMOylation site in CRMP2 controls NaV1.7 function.
Channels (Austin), 11, 2017
2EUY
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BU of 2euy by Molmil
Solution structure of the internal loop of human U65 H/ACA snoRNA 3' hairpin
分子名称: U65 box H/ACA snoRNA
著者Feigon, J, Khanna, M, Wu, H, Johansson, C, Caizergues-Ferrer, M.
登録日2005-10-30
公開日2006-01-03
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural study of the H/ACA snoRNP components Nop10p and the 3' hairpin of U65 snoRNA.
Rna, 12, 2006
8GRT
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BU of 8grt by Molmil
Small Dipeptide Analogues developed by Co-crystal Structure of Stenotrophomonas maltophilia Dipeptidyl Peptidase 7
分子名称: 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID, Dipeptidyl-peptidase, TYROSINE
著者Yasumitsu, S, Koushi, H, Akihiro, N, Yoshiyuki, Y, Wataru, O, Mizuki, S, Saori, R, Nobutada, T, Anna, M, Keiko, H, Tsuda, Y.
登録日2022-09-02
公開日2023-09-06
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Small Dipeptide Analogues Generated by Co-crystal Structure of Bacterial Dipeptidyl Peptidase 7 to Defeat Stenotrophomonas maltophilia
To Be Published
1ORL
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BU of 1orl by Molmil
1H NMR structure determination of Viscotoxin C1
分子名称: Viscotoxin C1
著者Molinari, H, Romagnoli, S, Fogolari, F, Catalano, M, Urech, K, Giannattasio, M, Ragona, L.
登録日2003-03-14
公開日2003-04-01
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献NMR solution structure of viscotoxin C1 from Viscum album species Coloratum ohwi: toward a structure-function analysis of viscotoxins.
Biochemistry, 42, 2003
1ED0
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BU of 1ed0 by Molmil
NMR structural determination of viscotoxin A3 from Viscum album L.
分子名称: VISCOTOXIN A3
著者Romagnoli, S, Ugolini, R, Fogolari, F, Schaller, G, Urech, K, Giannattasio, M, Ragona, L, Molinari, H.
登録日2000-01-26
公開日2000-02-04
最終更新日2022-02-16
実験手法SOLUTION NMR
主引用文献NMR structural determination of viscotoxin A3 from Viscum album L.
Biochem.J., 350, 2000
7ZW7
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BU of 7zw7 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 in complex with a formate molecule in the active site
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
著者Saccoccia, F, Giannaccari, M, Ruberti, G.
登録日2022-05-19
公開日2023-05-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal structure of Schistosoma mansoni HDAC8 in complex with a formate molecule in the active site
To Be Published
3SZ9
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BU of 3sz9 by Molmil
Crystal structure of human ALDH2 modified with the beta-elimination product of Aldi-3; 1-(4-ethylbenzene)prop-2-en-1-one
分子名称: 1,2-ETHANEDIOL, 1-(4-ethylphenyl)propan-1-one, Aldehyde dehydrogenase, ...
著者Perez-Miller, S, Hurley, T.D.
登録日2011-07-18
公開日2011-11-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of a novel class of covalent inhibitor for aldehyde dehydrogenases.
J.Biol.Chem., 286, 2011
4KG9
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BU of 4kg9 by Molmil
Crystal Structure Of USP7-NTD with MCM-BP
分子名称: Mini-chromosome maintenance complex-binding protein, Ubiquitin carboxyl-terminal hydrolase 7
著者Saridakis, V, Luthra, N.
登録日2013-04-29
公開日2013-11-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A role for USP7 in DNA replication.
Mol.Cell.Biol., 34, 2014
6DKD
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BU of 6dkd by Molmil
Yeast Ddi2 Cyanamide Hydratase
分子名称: DNA damage-inducible protein, SULFATE ION, ZINC ION
著者Moore, S.A, Xiao, W, Li, J.
登録日2018-05-29
公開日2019-05-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of Ddi2, a highly inducible detoxifying metalloenzyme fromSaccharomyces cerevisiae.
J.Biol.Chem., 294, 2019
6DKC
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BU of 6dkc by Molmil
Yeast Ddi2 Cyanamide Hydratase, T157V mutant, apo structure
分子名称: DNA damage-inducible protein, SULFATE ION, ZINC ION
著者Moore, S.A, Xiao, W, Li, J.
登録日2018-05-29
公開日2019-05-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of Ddi2, a highly inducible detoxifying metalloenzyme fromSaccharomyces cerevisiae.
J.Biol.Chem., 294, 2019
7AEN
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BU of 7aen by Molmil
Galectin-8 N-terminal carbohydrate recognition domain in complex with methyl 3-O-((7-carboxy)quinolin-2-yl)-methoxy)-beta-D-galactopyranoside
分子名称: CHLORIDE ION, GLYCEROL, Isoform 2 of Galectin-8, ...
著者Hassan, M, Klavern, V.S, Hakansson, M, Anderluh, M, Tomasic, T, Jakopin, Z, Nilsson, J.U, Kovacic, R, Walse, B, Diehl, C.
登録日2020-09-17
公開日2021-07-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Guided Design of d-Galactal Derivatives with High Affinity and Selectivity for the Galectin-8 N-Terminal Domain
Acs Med.Chem.Lett., 12, 2021
6Z4N
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BU of 6z4n by Molmil
CRYSTAL STRUCTURE OF OASS COMPLEXED WITH UPAR INHIBITOR
分子名称: (1~{S},2~{S})-1-[(4-methylphenyl)methyl]-2-phenyl-cyclopropane-1-carboxylic acid, COBALT (II) ION, Cysteine synthase A, ...
著者Demitri, N, Storici, P, Campanini, B.
登録日2020-05-25
公開日2021-04-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Investigational Studies on a Hit Compound Cyclopropane-Carboxylic Acid Derivative Targeting O -Acetylserine Sulfhydrylase as a Colistin Adjuvant.
Acs Infect Dis., 7, 2021
6U63
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BU of 6u63 by Molmil
Mcl-1 bound to compound 17
分子名称: 2-{[(naphthalen-2-yl)sulfonyl]amino}-5-[(2-phenylethyl)sulfanyl]benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Stuckey, J.A.
登録日2019-08-29
公開日2020-03-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
6U6F
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BU of 6u6f by Molmil
The crystal structure of anti-apoptotic Mcl-1 protein in complex with 2, 5-substituted benzoic acid inhibitor 21
分子名称: 2-[({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Yang, Y, Stuckey, J.A, Nikolovska-Coleska, Z.
登録日2019-08-29
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
6U65
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BU of 6u65 by Molmil
Mcl-1 bound to compound 19
分子名称: 1,2-ETHANEDIOL, 2-[({4-[(4-fluorophenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid, ACETATE ION, ...
著者Stuckey, J.A.
登録日2019-08-29
公開日2020-03-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
6U64
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BU of 6u64 by Molmil
Mcl-1 bound to compound 17
分子名称: 5-[(2-phenylethyl)sulfanyl]-2-{[(4-phenylpiperazin-1-yl)sulfonyl]amino}benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Stuckey, J.A.
登録日2019-08-29
公開日2020-03-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
6U67
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BU of 6u67 by Molmil
Mcl-1 bound to compound 24
分子名称: 2-({[4-(4-tert-butylphenyl)piperazin-1-yl]sulfonyl}amino)-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}benzoic acid, BIPHENYL, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Stuckey, J.A.
登録日2019-08-29
公開日2020-03-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
7P2V
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BU of 7p2v by Molmil
Crystal structure of Schistosoma mansoni HDAC8 in complex with a 4-chlorophenyl-spiroindoline capped hydroxamate-based inhibitor, bound to a novel site
分子名称: 5-[[(2S)-2-(4-chlorophenyl)-1'-methyl-spiro[2H-indole-3,4'-piperidine]-1-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide, DI(HYDROXYETHYL)ETHER, Histone deacetylase 8, ...
著者Saccoccia, F, Gemma, S, Campiani, G, Ruberti, G.
登録日2021-07-06
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors.
J.Biol.Chem., 298, 2022
7P2T
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BU of 7p2t by Molmil
Tetartohedrally twinned crystal structure of Schistosoma mansoni HDAC8 in complex with a tricyclic thieno[3,2-b]indole capped hydroxamate-based inhibitor, bromine derivative
分子名称: 5-[[(2R)-7-bromanyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide, CHLORIDE ION, Histone deacetylase 8, ...
著者Saccoccia, F, Gemma, S, Campiani, G, Ruberti, G.
登録日2021-07-06
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors.
J.Biol.Chem., 298, 2022
7P2U
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BU of 7p2u by Molmil
Crystal structure of Schistosoma mansoni HDAC8 in complex with a 3-chlorophenyl-spiroindoline capped hydroxamate-based inhibitor, bound to a novel site
分子名称: 5-[[(2R)-2-(3-chlorophenyl)-1'-methyl-spiro[2H-indole-3,4'-piperidine]-1-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide, CHLORIDE ION, Histone deacetylase 8, ...
著者Saccoccia, F, Gemma, S, Campiani, G, Ruberti, G.
登録日2021-07-06
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors.
J.Biol.Chem., 298, 2022
7P2S
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BU of 7p2s by Molmil
Crystal structure of Schistosoma mansoni HDAC8 in complex with a tricyclic thieno[3,2-b]indole capped hydroxamate-based inhibitor, chlorine derivative
分子名称: 5-[[(2R)-7-fluoranyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide, Histone deacetylase 8, POTASSIUM ION, ...
著者Saccoccia, F, Gemma, S, Campiani, G, Ruberti, G.
登録日2021-07-06
公開日2022-07-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors.
J.Biol.Chem., 298, 2022
4LQM
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BU of 4lqm by Molmil
EGFR L858R in complex with PD168393
分子名称: CHLORIDE ION, Epidermal growth factor receptor, N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE
著者Yun, C.H, Eck, M.J.
登録日2013-07-19
公開日2014-01-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural, Biochemical, and Clinical Characterization of Epidermal Growth Factor Receptor (EGFR) Exon 20 Insertion Mutations in Lung Cancer.
Sci Transl Med, 5, 2013

 

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