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6Y1Q
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BU of 6y1q by Molmil
Cortistatin analog with improved immunoregulatory activity
分子名称: Analog 5, OCTANOIC ACID (CAPRYLIC ACID)
著者Rol, A.
登録日2020-02-13
公開日2021-01-27
最終更新日2024-07-10
実験手法SOLUTION NMR
主引用文献Structure-based design of a Cortistatin analogue with immunomodulatory activity in models of inflammatory bowel disease.
Nat Commun, 12, 2021
6UTN
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BU of 6utn by Molmil
Native E. coli Glyceraldehyde 3-phosphate dehydrogenase
分子名称: ACETATE ION, Glyceraldehyde-3-phosphate dehydrogenase, PHOSPHATE ION, ...
著者Rodriguez-Hernandez, A, Romo-Arevalo, E, Rodriguez-Romero, A.
登録日2019-10-29
公開日2019-12-11
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献A Novel Substrate-Binding Site in the X-Ray Structure of an Oxidized E. coli Glyceraldehyde 3-Phosphate Dehydrogenase Elucidated by Single-Wavelength Anomalous Dispersion
Crystals, 9, 2019
5LUJ
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BU of 5luj by Molmil
Structure of cutinase 2 from Thermobifida cellulosilytica
分子名称: CHLORIDE ION, Cutinase 2
著者Hromic, A, Lyskowski, A, Gruber, K.
登録日2016-09-08
公開日2017-07-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Small cause, large effect: Structural characterization of cutinases from Thermobifida cellulosilytica.
Biotechnol. Bioeng., 114, 2017
5LUK
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BU of 5luk by Molmil
Structure of a double variant of cutinase 2 from Thermobifida cellulosilytica
分子名称: CHLORIDE ION, Cutinase 2, MAGNESIUM ION
著者Hromic, A, Lyskowski, A, Gruber, K.
登録日2016-09-09
公開日2017-07-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Small cause, large effect: Structural characterization of cutinases from Thermobifida cellulosilytica.
Biotechnol. Bioeng., 114, 2017
6OXM
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BU of 6oxm by Molmil
Crystal structure of L,L-diaminopimelate aminotransferase (DapL) from Verrucomicrobium spinosum
分子名称: Diaminopimelate aminotransferase
著者Weatherhead, A, Meng, Y, Dobson, R, Hudson, A.
登録日2019-05-13
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Characterization of Diaminopimelate Aminotransferase from Verrucomicrobium Spinosum
To Be Published
6Y0O
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BU of 6y0o by Molmil
isopenicillin N synthase in complex with ACV and Fe under anaerobic environment using FT-SSX methods
分子名称: Anaerobic Fixed Target Structure of Isopenicillin N synthase in complex with Fe and ACV, FE (III) ION, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
著者Rabe, P, Beale, J.H, Lang, P.A, Dirr, A.S, Leissing, T.M, Butryn, A, Aller, P, Kamps, J.J.A.G, Axford, D, McDonough, M.A, Orville, A.M, Owen, R, Schofield, C.J.
登録日2020-02-10
公開日2020-09-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Anaerobic fixed-target serial crystallography.
Iucrj, 7, 2020
6Y38
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BU of 6y38 by Molmil
Crystal structure of Whirlin PDZ3 in complex with Myosin 15a C-terminal PDZ binding motif peptide
分子名称: Chains: C,D, Whirlin
著者Zhu, Y, Delhommel, F, Haouz, A, Caillet-Saguy, C, Vaney, M, Mechaly, A.E, Wolff, N.
登録日2020-02-17
公開日2020-10-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.697 Å)
主引用文献Deciphering the Unexpected Binding Capacity of the Third PDZ Domain of Whirlin to Various Cochlear Hair Cell Partners.
J.Mol.Biol., 432, 2020
4WX7
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BU of 4wx7 by Molmil
Crystal structure of adenovirus 8 protease with a nitrile inhibitor
分子名称: 3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-N-(2-{[(2Z)-2-iminoethyl]amino}-2-oxoethyl)-4-methoxybenzamide, PVI, Protease
著者Grosche, P, Sirockin, F, Mac Sweeney, A, Ramage, P, Erbel, P, Melkko, S, Bernardi, A, Hughes, N, Ellis, D, Combrink, K, Jarousse, N, Altmann, E.
登録日2014-11-13
公開日2015-01-14
最終更新日2015-01-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based design and optimization of potent inhibitors of the adenoviral protease.
Bioorg.Med.Chem.Lett., 25, 2015
4WX6
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BU of 4wx6 by Molmil
Crystal structure of human adenovirus 8 protease with an irreversible vinyl sulfone inhibitor
分子名称: N-[(2S)-2-(3,5-dichlorophenyl)-2-(ethylamino)acetyl]-3-methyl-L-valyl-N-[3-(methylsulfonyl)propyl]glycinamide, PVI, Protease
著者Grosche, P, Sirockin, F, Mac Sweeney, A, Ramage, P, Erbel, P, Melkko, S, Bernardi, A, Hughes, N, Ellis, D, Combrink, K, Jarousse, N, Altmann, E.
登録日2014-11-13
公開日2015-01-14
最終更新日2015-01-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-based design and optimization of potent inhibitors of the adenoviral protease.
Bioorg.Med.Chem.Lett., 25, 2015
5M3U
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BU of 5m3u by Molmil
The X-ray structure of human V216F phosphoglycerate kinase 1 mutant
分子名称: 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Ilari, A, Fiorillo, A, Cipollone, A, Petrosino, M.
登録日2016-10-17
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献The phosphoglycerate kinase 1 variants found in carcinoma cells display different catalytic activity and conformational stability compared to the native enzyme.
PLoS ONE, 13, 2018
6UTM
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BU of 6utm by Molmil
Native E. coli Glyceraldehyde 3-phosphate dehydrogenase
分子名称: GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase, SN-GLYCEROL-3-PHOSPHATE, ...
著者Rodriguez-Hernandez, A, Romo-Arevalo, E, Rodriguez-Romero, A.
登録日2019-10-29
公開日2019-12-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献A Novel Substrate-Binding Site in the X-Ray Structure of an Oxidized E. coli Glyceraldehyde 3-Phosphate Dehydrogenase Elucidated by Single-Wavelength Anomalous Dispersion
Crystals, 9, 2019
6GQE
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BU of 6gqe by Molmil
X-ray structure of KH1-2 domain of IMP3
分子名称: Insulin-like growth factor 2 mRNA-binding protein 3
著者Janowski, R, Schlundt, A, Sattler, M, Niessing, D.
登録日2018-06-07
公開日2019-04-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Combinatorial recognition of clustered RNA elements by the multidomain RNA-binding protein IMP3.
Nat Commun, 10, 2019
6OX6
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BU of 6ox6 by Molmil
Crystal structure of the complex between the Type VI effector Tas1 and its immunity protein
分子名称: ACETATE ION, PA14_01140, Tas1
著者Ahmad, S, Stogios, P.J, Skarina, T, Whitney, J, Savchenko, A, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-05-13
公開日2019-09-18
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献An interbacterial toxin inhibits target cell growth by synthesizing (p)ppApp.
Nature, 575, 2019
4QL1
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BU of 4ql1 by Molmil
Crystal structure of human WDR5 in complex with compound OICR-9429
分子名称: 1,2-ETHANEDIOL, GLYCEROL, N-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide, ...
著者Dong, A, Dombrovski, L, Walker, J.R, Getlik, M, Kuznetsova, E, Smil, D, Barsyte, D, Li, F, Poda, G, Senisterra, G, Marcellus, R, Al-Awar, R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
登録日2014-06-10
公開日2014-12-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Pharmacological targeting of the Wdr5-MLL interaction in C/EBP alpha N-terminal leukemia.
Nat.Chem.Biol., 11, 2015
7AMK
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BU of 7amk by Molmil
Zebrafish RET Cadherin Like Domains 1 to 4.
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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Purkiss, A.G, McDonald, N.Q, Goodman, K.M, Narowtek, A, Knowles, P.P.
登録日2020-10-09
公開日2021-02-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A two-site flexible clamp mechanism for RET-GDNF-GFR alpha 1 assembly reveals both conformational adaptation and strict geometric spacing.
Structure, 29, 2021
5LUL
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BU of 5lul by Molmil
Structure of a triple variant of cutinase 2 from Thermobifida cellulosilytica
分子名称: CALCIUM ION, CHLORIDE ION, Cutinase 2
著者Hromic, A, Lyskowski, A, Gruber, K.
登録日2016-09-09
公開日2017-07-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Small cause, large effect: Structural characterization of cutinases from Thermobifida cellulosilytica.
Biotechnol. Bioeng., 114, 2017
6Y12
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BU of 6y12 by Molmil
Arginine hydroxylase VioC in complex with (3S)-OH-Arg, succinate and Fe after oxygen exposure using FT-SSX methods
分子名称: (2S,3S)-3-HYDROXYARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, FE (III) ION, ...
著者Rabe, P, Beale, J.H, Lang, P.A, Dirr, A.S, Leissing, T.M, Butryn, A, Aller, P, Kamps, J.J.A.G, Axford, D, McDonough, M.A, Orville, A.M, Owen, R, Schofield, C.J.
登録日2020-02-11
公開日2020-09-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Anaerobic fixed-target serial crystallography.
Iucrj, 7, 2020
6AQE
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BU of 6aqe by Molmil
Crystal structure of PPK2 in complex with Mg ATP
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
著者Nocek, B, Joachimiak, A, Yakunin, A.
登録日2017-08-19
公開日2019-01-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.805 Å)
主引用文献Structural Insights into Substrate Selectivity and Activity of Bacterial Polyphosphate Kinases
Acs Catalysis, 8, 2018
6OBI
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BU of 6obi by Molmil
Remarkable rigidity of the single alpha-helical domain of myosin-VI revealed by NMR spectroscopy
分子名称: Myosin-VI
著者Barnes, A, Shen, Y, Ying, J, Takagi, Y, Torchia, D.A, Sellers, J, Bax, A.
登録日2019-03-20
公開日2019-06-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Remarkable Rigidity of the Single alpha-Helical Domain of Myosin-VI As Revealed by NMR Spectroscopy.
J.Am.Chem.Soc., 141, 2019
6YNF
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BU of 6ynf by Molmil
GAPDH purified from the supernatant of HEK293F cells: crystal form 3 of 4.
分子名称: 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Glyceraldehyde-3-phosphate dehydrogenase
著者Roversi, P, Lia, A.
登録日2020-04-13
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.394 Å)
主引用文献Partial catalytic Cys oxidation of human GAPDH to Cys-sulfonic acid.
Wellcome Open Res, 5, 2020
5WDU
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BU of 5wdu by Molmil
HIV-1 Env BG505 SOSIP.664 H72C-H564C trimer in complex with bNAbs PGT122 Fab, 35O22 Fab and NIH45-46 scFv
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, Envelope glycoprotein gp160, ...
著者Julien, J.-P, Torrents de la Pena, A, Sanders, R.W, Wilson, I.A.
登録日2017-07-06
公開日2018-04-04
最終更新日2022-11-30
実験手法X-RAY DIFFRACTION (7 Å)
主引用文献Improving the Immunogenicity of Native-like HIV-1 Envelope Trimers by Hyperstabilization.
Cell Rep, 20, 2017
6Y7U
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BU of 6y7u by Molmil
Structure of Chloroflexus aggregans Cagg_3753 LOV domain C85A A95P variant (CagFbFP)
分子名称: FLAVIN MONONUCLEOTIDE, Multi-sensor hybrid histidine kinase
著者Remeeva, A, Nazarenko, V, Kovalev, K, Gordeliy, V, Gushchin, I.
登録日2020-03-02
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Effects of Proline Substitutions on the Thermostable LOV Domain from Chloroflexus aggregans
Crystals, 2020
5M1R
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BU of 5m1r by Molmil
X-ray structure of human G166D PGK-1 mutant
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphoglycerate kinase 1
著者Ilari, A, Cipollone, A, Fiorillo, A, Petrosino, M.
登録日2016-10-10
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献The phosphoglycerate kinase 1 variants found in carcinoma cells display different catalytic activity and conformational stability compared to the native enzyme.
PLoS ONE, 13, 2018
5FPV
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BU of 5fpv by Molmil
Crystal structure of human JMJD2A in complex with compound KDOAM20A
分子名称: 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, LYSINE-SPECIFIC DEMETHYLASE 4A, MANGANESE (II) ION, ...
著者Srikannathasan, V, Gileadi, C, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
登録日2015-12-03
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5YG2
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BU of 5yg2 by Molmil
Plasmodium vivax SHMT bound with PLP-glycine and GS705
分子名称: 3-[1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidin-4-yl]propanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F.
登録日2017-09-22
公開日2018-06-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Potent Inhibitors of Plasmodial Serine Hydroxymethyltransferase (SHMT) Featuring a Spirocyclic Scaffold
ChemMedChem, 13, 2018

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