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2X3T
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BU of 2x3t by Molmil
Glutaraldehyde-crosslinked wheat germ agglutinin isolectin 1 crystal soaked with a synthetic glycopeptide
分子名称: 2-acetamido-1-O-carbamoyl-2-deoxy-alpha-D-glucopyranose, AGGLUTININ ISOLECTIN 1, D-ALPHA-AMINOBUTYRIC ACID, ...
著者Schwefel, D, Maierhofer, C, Wittmann, V, Diederichs, K, Welte, W.
登録日2010-01-26
公開日2010-06-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.749 Å)
主引用文献Structural Basis of Multivalent Binding to Wheat Germ Agglutinin.
J.Am.Chem.Soc., 132, 2010
7ZNR
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Inactive D62N mutant of BT1760 Endo-acting levanase from Bacteroides thetaiotaomicron VPI-5482
分子名称: SULFATE ION, Sucrose-6-phosphate hydrolase, beta-D-fructofuranose-(2-6)-beta-D-fructofuranose, ...
著者Basle, A, Bolam, D.
登録日2022-04-21
公開日2023-06-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Outer membrane utilisomes mediate glycan uptake in gut Bacteroidetes.
Nature, 618, 2023
3IIO
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BU of 3iio by Molmil
Evolutionary optimization of computationally designed enzymes: Kemp eliminases of the KE07 series
分子名称: KE07
著者Khersonsky, O, Dym, O, Tawfik, D.S.
登録日2009-08-03
公開日2010-03-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Evolutionary Optimization of Computationally Designed Enzymes: Kemp Eliminases of the KE07 Series.
J.Mol.Biol., 396, 2010
7ZNS
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BU of 7zns by Molmil
Inactive D62N mutant of BT1760 Endo-acting levanase from Bacteroides thetaiotaomicron VPI-5482
分子名称: Glycoside hydrolase family 32, SULFATE ION, beta-D-fructofuranose-(2-6)-beta-D-fructofuranose, ...
著者Basle, A, Bolam, D.
登録日2022-04-21
公開日2023-06-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Outer membrane utilisomes mediate glycan uptake in gut Bacteroidetes.
Nature, 618, 2023
8A85
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Structure of the Reconstructed Ancestor of Phenolic Acid Decarboxylase AncPAD134
分子名称: Phenolic acid decarboxylase N134
著者Mokos, D, Schruefer, A, Gruber, K, Daniel, B.
登録日2022-06-22
公開日2023-07-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Reconstructed ancestral sequences of bacterial phenolic acid decarboxylase show increased thermostability
To Be Published
5YB5
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BU of 5yb5 by Molmil
The complex crystal structure of VrEH2 mutant M263N with SNO
分子名称: (S)-PARA-NITROSTYRENE OXIDE, Epoxide hydrolase
著者Li, F.L, Chen, F.F, Chen, Q, Kong, X.D, Yu, H.L, Xu, J.H.
登録日2017-09-03
公開日2018-09-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Regioselectivity Engineering of Epoxide Hydrolase: Near-Perfect Enantioconvergence through a Single Site Mutation
Acs Catalysis, 8, 2018
6YI8
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BU of 6yi8 by Molmil
HUMAN FGFR4 KINASE DOMAIN (447-753) IN COMPLEX WITH ROBLITINIB
分子名称: Fibroblast growth factor receptor 4, N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-methanoyl-6-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide, SULFATE ION
著者Ostermann, N.
登録日2020-04-01
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Discovery of Roblitinib (FGF401) as a Reversible-Covalent Inhibitor of the Kinase Activity of Fibroblast Growth Factor Receptor 4.
J.Med.Chem., 63, 2020
7W3W
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BU of 7w3w by Molmil
X-ray structure of apo-VmFbpA, a ferric ion-binding protein from Vibrio metschnikovii
分子名称: Iron-utilization periplasmic protein
著者Lu, P, Sui, M, Zhang, M, Nagata, K.
登録日2021-11-26
公開日2021-12-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.858 Å)
主引用文献Rosmarinic Acid and Sodium Citrate Have a Synergistic Bacteriostatic Effect against Vibrio Species by Inhibiting Iron Uptake.
Int J Mol Sci, 22, 2021
1WT6
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BU of 1wt6 by Molmil
Coiled-Coil domain of DMPK
分子名称: Myotonin-protein kinase
著者Garcia, P, Marino, M, Mayans, O.
登録日2004-11-16
公開日2005-11-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular insights into the self-assembly mechanism of dystrophia myotonica kinase
Faseb J., 20, 2006
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
6Y3U
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BU of 6y3u by Molmil
Crystal structure of PPARgamma in complex with compound (R)-16
分子名称: (2~{R})-2-[[6-[(2,4-dichlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]sulfanyl]octanoic acid, Peroxisome proliferator-activated receptor gamma
著者Chaikuad, A, Hanke, T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-02-18
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献A Selective Modulator of Peroxisome Proliferator-Activated Receptor gamma with an Unprecedented Binding Mode.
J.Med.Chem., 63, 2020
5YD6
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BU of 5yd6 by Molmil
Crystal structure of PG-bound Nurr1-LBD
分子名称: (~{Z})-7-[(1~{R},5~{S})-2-oxidanylidene-5-[(~{E},3~{S})-3-oxidanyloct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoic acid, MAGNESIUM ION, Nuclear receptor subfamily 4 group A member 2
著者Sreekanth, R, Yoon, H.S.
登録日2017-09-11
公開日2019-03-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structure of Nurr1 bound to cyclopentenone prostaglandin A2 and its mechanism of action in ameliorating dopaminergic neurodegeneration in Drosophila
To Be Published
3IGV
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BU of 3igv by Molmil
Crystal structure of HCV NS5B polymerase with a novel monocyclic dihydro-pyridinone inhibitor
分子名称: N-{3-[(6S)-6-ethyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-DIRECTED RNA POLYMERASE
著者Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R.
登録日2009-07-28
公開日2009-12-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献5,5'- and 6,6'-dialkyl-5,6-dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
3IJ1
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BU of 3ij1 by Molmil
Crystal structure of Eed in complex with a trimethylated histone H4K20 peptide
分子名称: Histone H4K20 peptide, Polycomb protein EED
著者Justin, N, Sharpe, M.L, Martin, S, Taylor, W.R, De Marco, V, Gamblin, S.J.
登録日2009-08-03
公開日2009-09-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Role of the polycomb protein EED in the propagation of repressive histone marks.
Nature, 461, 2009
1WV1
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BU of 1wv1 by Molmil
Crystallographic studies on acyl ureas, a new class of inhibitors of glycogenphosphorylase. Broad specificity of the allosteric site
分子名称: 5-[3-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-2-METHYLPHENOXY]PENTANOIC ACID, Glycogen phosphorylase, muscle form, ...
著者Oikonomakos, N.G, Kosmopoulou, M.N, Chrysina, E.D, Leonidas, D.D, Klabunde, T, Wendt, K.U, Defossa, E.
登録日2004-12-10
公開日2005-12-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Crystallographic studies on acyl ureas, a new class of glycogen phosphorylase inhibitors, as potential antidiabetic drugs
Protein Sci., 14, 2005
7WUG
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BU of 7wug by Molmil
GID subcomplex: Gid12 bound Substrate Receptor Scaffolding module
分子名称: Glucose-induced degradation protein 8, HLJ1_G0042170.mRNA.1.CDS.1, Vacuolar import and degradation protein 24, ...
著者Qiao, S, Cheng, J.D, Schulman, B.A.
登録日2022-02-08
公開日2022-06-08
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structures of Gid12-bound GID E3 reveal steric blockade as a mechanism inhibiting substrate ubiquitylation.
Nat Commun, 13, 2022
7WAH
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BU of 7wah by Molmil
Structure of Cas7-11 in complex with guide RNA and target RNA
分子名称: CRISPR-associated RAMP family protein, ZINC ION, crRNA (39-MER), ...
著者Kato, K, Okazaki, S, Isayama, Y, Nishizawa, T, Nishimasu, H.
登録日2021-12-14
公開日2022-06-15
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (2.45 Å)
主引用文献Structure and engineering of the type III-E CRISPR-Cas7-11 effector complex.
Cell, 185, 2022
8AE6
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Cryo-EM structure of the SEA complex wing (SEACIT)
分子名称: Maintenance of telomere capping protein 5, Nitrogen permease regulator 2, Nitrogen permease regulator 3, ...
著者Tafur, L, Loewith, R.
登録日2022-07-12
公開日2022-11-02
最終更新日2023-05-10
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Cryo-EM structure of the SEA complex.
Nature, 611, 2022
2WLN
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BU of 2wln by Molmil
POTASSIUM CHANNEL FROM MAGNETOSPIRILLUM MAGNETOTACTICUM
分子名称: POTASSIUM CHANNEL, POTASSIUM ION
著者Clarke, O.B, Caputo, A.T, Smith, B.J, Gulbis, J.M.
登録日2009-06-24
公開日2010-06-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.44 Å)
主引用文献Domain Reorientation and Rotation of an Intracellular Assembly Regulate Conduction in Kir Potassium Channels.
Cell(Cambridge,Mass.), 141, 2010
6Y69
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BU of 6y69 by Molmil
Cryo-EM structure of an Escherichia coli 70S ribosome in complex with antibiotic TetracenomycinX
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Wieland, M, Wilson, D.N.
登録日2020-02-26
公開日2020-07-01
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (2.86 Å)
主引用文献Tetracenomycin X inhibits translation by binding within the ribosomal exit tunnel.
Nat.Chem.Biol., 16, 2020
2WLI
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BU of 2wli by Molmil
POTASSIUM CHANNEL FROM MAGNETOSPIRILLUM MAGNETOTACTICUM
分子名称: KIRBAC3.1 POTASSIUM CHANNEL, POTASSIUM CHANNEL, POTASSIUM ION
著者Clarke, O.B, Caputo, A.T, Smith, B.J, Gulbis, J.M.
登録日2009-06-24
公開日2010-06-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Domain Reorientation and Rotation of an Intracellular Assembly Regulate Conduction in Kir Potassium Channels.
Cell(Cambridge,Mass.), 141, 2010
2WLK
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STRUCTURE OF THE ATP-SENSITIVE INWARD RECTIFIER POTASSIUM CHANNEL FROM MAGNETOSPIRILLUM MAGNETOTACTICUM
分子名称: ATP-SENSITIVE INWARD RECTIFIER POTASSIUM CHANNEL 10, CHLORIDE ION, POTASSIUM ION, ...
著者Clarke, O.B, Caputo, A.T, Smith, B.J, Gulbis, J.M.
登録日2009-06-24
公開日2010-06-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Domain Reorientation and Rotation of an Intracellular Assembly Regulate Conduction in Kir Potassium Channels.
Cell(Cambridge,Mass.), 141, 2010
2WHO
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BU of 2who by Molmil
CRYSTAL STRUCTURE OF HEPATITIS C VIRUS NS5B POLYMERASE FROM 1B GENOTYPE IN COMPLEX WITH A NON-NUCLEOSIDE INHIBITOR
分子名称: 2-(3-bromophenyl)-6-[(2-hydroxyethyl)amino]-1h-benzo[de]isoquinoline-1,3(2h)-dione, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
著者Di Marco, S.
登録日2009-05-05
公開日2009-08-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification and biological evaluation of a series of 1H-benzo[de]isoquinoline-1,3(2H)-diones as hepatitis C virus NS5B polymerase inhibitors.
J. Med. Chem., 52, 2009
8AAU
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BU of 8aau by Molmil
LIM Domain Kinase 1 (LIMK1) bound to LIMKi3
分子名称: 1,2-ETHANEDIOL, LIM domain kinase 1, MAGNESIUM ION, ...
著者Mathea, S, Salah, E, Hanke, T, Knapp, S.
登録日2022-07-03
公開日2022-08-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Development and Characterization of Type I, Type II, and Type III LIM-Kinase Chemical Probes.
J.Med.Chem., 65, 2022
8ADL
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BU of 8adl by Molmil
Cryo-EM structure of the SEA complex
分子名称: Maintenance of telomere capping protein 5, Nitrogen permease regulator 2, Nitrogen permease regulator 3, ...
著者Tafur, L, Loewith, R.
登録日2022-07-08
公開日2022-11-02
最終更新日2023-05-10
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Cryo-EM structure of the SEA complex.
Nature, 611, 2022

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