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4X6M
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BU of 4x6m by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[2-(aminomethyl)-5-chlorobenzyl]urea
分子名称: 1,2-ETHANEDIOL, 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[2-(aminomethyl)-5-chlorobenzyl]urea, Coagulation factor XI, ...
著者Wei, A.
登録日2014-12-08
公開日2015-02-18
最終更新日2015-04-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
4X6N
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BU of 4x6n by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]urea
分子名称: 1,2-ETHANEDIOL, 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]urea, Coagulation factor XI, ...
著者Wei, A.
登録日2014-12-08
公開日2015-02-18
最終更新日2015-04-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
5LA0
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BU of 5la0 by Molmil
The mechanism by which arabinoxylanases can recognise highly decorated xylans
分子名称: CALCIUM ION, Carbohydrate binding family 6, SULFATE ION, ...
著者Basle, A, Labourel, A, Cuskin, F, Jackson, A, Crouch, L, Rogowski, A, Gilbert, A.
登録日2016-06-13
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The Mechanism by Which Arabinoxylanases Can Recognize Highly Decorated Xylans.
J.Biol.Chem., 291, 2016
6ZUC
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BU of 6zuc by Molmil
X-RAY CRYSTAL STRUCTURE OF THE CsPYL1-Lig1-HAB1 TERNARY COMPLEX
分子名称: 1,4-dimethyl-2-oxidanylidene-~{N}-(phenylmethyl)quinoline-6-sulfonamide, CHLORIDE ION, CSPYL1, ...
著者Albert, A, Infantes, L, Benavente, J.L.
登録日2020-07-22
公開日2021-08-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought.
Sci Adv, 9, 2023
5XER
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BU of 5xer by Molmil
TK9 NMR structure in DPC micelle
分子名称: THR-VAL-TYR-VAL-TYR-SER-ARG-VAL-LYS
著者Ghosh, A, Bhunia, A.
登録日2017-04-05
公開日2018-04-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural insights of a self-assembling 9-residue peptide from the C-terminal tail of the SARS corona virus E-protein in DPC and SDS micelles: A combined high and low resolution spectroscopic study.
Biochim Biophys Acta Biomembr, 1860, 2018
5Y8O
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BU of 5y8o by Molmil
Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + NAD + 3-Hydroxy propionate (3-HP)
分子名称: (2~{S})-2-methylpentanedioic acid, 3-HYDROXY-PROPANOIC ACID, ACRYLIC ACID, ...
著者Srikalaivani, R, Singh, A, Surolia, A, Vijayan, M.
登録日2017-08-21
公開日2018-07-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure, interactions and action ofMycobacterium tuberculosis3-hydroxyisobutyric acid dehydrogenase.
Biochem. J., 475, 2018
5Y8I
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BU of 5y8i by Molmil
Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + (S)-3-hydroxyisobutyrate (S-HIBA)
分子名称: (2S)-2-methyl-3-oxidanyl-propanoic acid, (2~{S})-2-methylpentanedioic acid, GLYCEROL, ...
著者Srikalaivani, R, Singh, A, Surolia, A, Vijayan, M.
登録日2017-08-21
公開日2018-07-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structure, interactions and action ofMycobacterium tuberculosis3-hydroxyisobutyric acid dehydrogenase.
Biochem. J., 475, 2018
6AGT
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BU of 6agt by Molmil
Crystal structure of PfKRS complexed with chromone inhibitor
分子名称: COBALT (II) ION, FORMIC ACID, LYSINE, ...
著者Yogavel, M, Sharma, A, Sharma, A, Baragana, B, Walpole, C.
登録日2018-08-14
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.953 Å)
主引用文献Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
4X6O
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BU of 4x6o by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl (4-{4-chloro-2-[(1S)-1-({3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]propanoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, light chain, ...
著者Wei, A.
登録日2014-12-08
公開日2015-02-18
最終更新日2015-04-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
7A6V
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BU of 7a6v by Molmil
Human Carbonic Anhydrase II in complex with 4-(3-(3-phenoxypropyl)thioureido)benzenesulfonamide
分子名称: 4-(3-(3-phenoxypropyl)thioureido)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Angeli, A, Ferraroni, M.
登録日2020-08-26
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Calixarenes Incorporating Sulfonamide Moieties: Versatile Ligands for Carbonic Anhydrases Inhibition.
Chemistry, 28, 2022
5Y8P
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BU of 5y8p by Molmil
Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + 3-Hydroxy propionate (3-HP)
分子名称: (2~{S})-2-methylpentanedioic acid, 3-HYDROXY-PROPANOIC ACID, ACRYLIC ACID, ...
著者Srikalaivani, R, Singh, A, Surolia, A, Vijayan, M.
登録日2017-08-21
公開日2018-07-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure, interactions and action ofMycobacterium tuberculosis3-hydroxyisobutyric acid dehydrogenase.
Biochem. J., 475, 2018
7YYF
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BU of 7yyf by Molmil
Orthorombic crystal structure of YTHDF1 YTH domain (G459N mutant) form II
分子名称: YTH domain-containing family protein 1
著者Dalle Vedove, A, Cazzanelli, G, Lolli, G.
登録日2022-02-17
公開日2023-03-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Pliability in the m 6 A-Binding Region Extends Druggability of YTH Domains.
J.Chem.Inf.Model., 2024
7YYJ
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BU of 7yyj by Molmil
Tetragonal crystal structure of YTHDF1 YTH domain (544AVV546 mutant)
分子名称: 1,2-ETHANEDIOL, THIOCYANATE ION, YTH domain-containing family protein 1
著者Dalle Vedove, A, Cazzanelli, G, Lolli, G.
登録日2022-02-18
公開日2023-03-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pliability in the m 6 A-Binding Region Extends Druggability of YTH Domains.
J.Chem.Inf.Model., 2024
7YZ8
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BU of 7yz8 by Molmil
Triclinic crystal structure of YTHDF1 YTH domain (544AVV546 mutant)
分子名称: THIOCYANATE ION, YTH domain-containing family protein 1
著者Dalle Vedove, A, Cazzanelli, G, Lolli, G.
登録日2022-02-19
公開日2023-03-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Pliability in the m 6 A-Binding Region Extends Druggability of YTH Domains.
J.Chem.Inf.Model., 2024
6IEM
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BU of 6iem by Molmil
Argininosuccinate lyase from Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15-PENTAOXAHEPTADECANE, Argininosuccinate lyase, ...
著者Paul, A, Mishra, A, Surolia, A, Vijayan, M.
登録日2018-09-14
公開日2019-02-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural studies on M. tuberculosis argininosuccinate lyase and its liganded complex: Insights into catalytic mechanism.
IUBMB Life, 71, 2019
7YYE
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BU of 7yye by Molmil
Orthorombic crystal structure of YTHDF1 YTH domain (G459N mutant) form I
分子名称: 1,2-ETHANEDIOL, MALONIC ACID, YTH domain-containing family protein 1
著者Dalle Vedove, A, Cazzanelli, G, Lolli, G.
登録日2022-02-17
公開日2023-03-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Pliability in the m 6 A-Binding Region Extends Druggability of YTH Domains.
J.Chem.Inf.Model., 2024
5Y8K
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BU of 5y8k by Molmil
Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + L-serine
分子名称: (2~{S})-2-methylpentanedioic acid, ACRYLIC ACID, GLYCEROL, ...
著者Srikalaivani, R, Singh, A, Surolia, A, Vijayan, M.
登録日2017-08-21
公開日2018-07-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structure, interactions and action ofMycobacterium tuberculosis3-hydroxyisobutyric acid dehydrogenase.
Biochem. J., 475, 2018
5F13
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BU of 5f13 by Molmil
Structure of Mn bound DUF89 from Saccharomyces cerevisiae
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, MANGANESE (II) ION, ...
著者Nocek, B, Skarina, T, Joachimiak, A, Savchenko, A, Yakunin, A.
登録日2015-11-30
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.393 Å)
主引用文献A family of metal-dependent phosphatases implicated in metabolite damage-control.
Nat.Chem.Biol., 12, 2016
3IHI
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BU of 3ihi by Molmil
Crystal structure of mouse thymidylate synthase
分子名称: SULFATE ION, Thymidylate synthase
著者Dowiercial, A, Jarmula, A, Rypniewski, W.R, Sokolowska, M, Fraczyk, T, Ciesla, J, Rode, W.
登録日2009-07-30
公開日2010-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Mouse thymidylate synthase does not show the inactive conformation, observed for the human enzyme
Struct Chem, 2016
7Z58
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BU of 7z58 by Molmil
Crystal structure of human Cathepsin L in complex with covalently bound Calpeptin
分子名称: 1,2-ETHANEDIOL, Calpeptin, Cathepsin L, ...
著者Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
登録日2022-03-08
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
7Z3T
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BU of 7z3t by Molmil
Crystal structure of apo human Cathepsin L
分子名称: 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
著者Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
登録日2022-03-02
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
5Y8M
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BU of 5y8m by Molmil
Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + NAD + (R)-3-hydroxyisobutyrate (R-HIBA)
分子名称: (2R)-3-HYDROXY-2-METHYLPROPANOIC ACID, (2~{S})-2-methylpentanedioic acid, ACRYLIC ACID, ...
著者Srikalaivani, R, Singh, A, Surolia, A, Vijayan, M.
登録日2017-08-21
公開日2018-07-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structure, interactions and action ofMycobacterium tuberculosis3-hydroxyisobutyric acid dehydrogenase.
Biochem. J., 475, 2018
5IKC
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BU of 5ikc by Molmil
X-RAY STRUCTURE OF THE N-TERMINAL DOMAIN OF HUMAN DOUBLECORTIN in complex with FAB
分子名称: CHLORIDE ION, Ighg protein, MAb 6H10 light chain, ...
著者Ruf, A, Stihle, M, Benz, J, Thoma, R, Rudolph, M.G.
登録日2016-03-03
公開日2016-05-18
最終更新日2020-03-11
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Crystal Structures of the Human Doublecortin C- and N-terminal Domains in Complex with Specific Antibodies.
J.Biol.Chem., 291, 2016
5Y8G
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BU of 5y8g by Molmil
Mycobacterium tuberculosis 3-Hydroxyisobutyrate Dehydrogenase (MtHIBADH)
分子名称: (2~{S})-2-methylpentanedioic acid, ACRYLIC ACID, GLYCEROL, ...
著者Srikalaivani, R, Singh, A, Surolia, A, Vijayan, M.
登録日2017-08-21
公開日2018-07-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structure, interactions and action ofMycobacterium tuberculosis3-hydroxyisobutyric acid dehydrogenase.
Biochem. J., 475, 2018
5YFM
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BU of 5yfm by Molmil
Human isocitrate dehydrogenase 1 bound with NADP
分子名称: Isocitrate dehydrogenase [NADP] cytoplasmic, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Nordlund, P, Chen, D, Jansson, A, Larsson, A.
登録日2017-09-21
公開日2017-10-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Human isocitrate dehydrogenase 1 bound with NADP
To Be Published

222415

件を2024-07-10に公開中

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