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2BO8
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DISSECTION OF MANNOSYLGLYCERATE SYNTHASE: AN ARCHETYPAL MANNOSYLTRANSFERASE
分子名称: CHLORIDE ION, GUANOSINE 5'-(TRIHYDROGEN DIPHOSPHATE), P'-D-MANNOPYRANOSYL ESTER, ...
著者Flint, J, Taylor, E, Yang, M, Bolam, D.N, Tailford, L.E, Martinez-Fleites, C, Dodson, E.J, Davis, B.G, Gilbert, H.J, Davies, G.J.
登録日2005-04-08
公開日2005-06-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural dissection and high-throughput screening of mannosylglycerate synthase.
Nat. Struct. Mol. Biol., 12, 2005
3P0N
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BU of 3p0n by Molmil
Human Tankyrase 2 - Catalytic PARP domain in complex with an inhibitor
分子名称: 7-bromopyrrolo[1,2-a]quinoxalin-4(5H)-one, GLYCEROL, SULFATE ION, ...
著者Karlberg, T, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schutz, P, Sehic, A, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
登録日2010-09-29
公開日2010-10-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors
Nat.Biotechnol., 30, 2012
5NGT
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BU of 5ngt by Molmil
Crystal structure of human MTH1 in complex with inhibitor 7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, 7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine, SULFATE ION
著者Gustafsson, R, Rudling, A, Almlof, I, Homan, E, Scobie, M, Warpman Berglund, U, Helleday, T, Carlsson, J, Stenmark, P.
登録日2017-03-20
公開日2017-10-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space.
J. Med. Chem., 60, 2017
5KEF
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BU of 5kef by Molmil
Structure of hypothetical Staphylococcus protein SA0856 with zinc
分子名称: ACETATE ION, PhnB protein, ZINC ION
著者Battaile, K.P, Chirgadze, Y.N, Lam, R, Chan, T, Mihajlovic, V, Romanov, V, Pai, E, Mendez, V, Chirgadze, N.Y.
登録日2016-06-09
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Crystal structure of Staphylococcus aureus Zn-glyoxalase I: new subfamily of glyoxalase I family.
J. Biomol. Struct. Dyn., 36, 2018
6E0E
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BU of 6e0e by Molmil
Crystal structure of Glucokinase in complex with compound 6
分子名称: 2-({2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-yl}oxy)benzonitrile, Glucokinase, alpha-D-glucopyranose
著者Hinklin, R.J, Baer, B.R, Boyd, S.A, Chicarelli, M.D, Condroski, K.R, DeWolf, W.E, Fischer, J, Frank, M, Hingorani, G.P, Lee, P.A, Neitzel, N.A, Pratt, S.A, Singh, A, Sullivan, F.X, Turner, T, Voegtli, W.C, Wallace, E.M, Williams, L, Aicher, T.D.
登録日2018-07-06
公開日2019-07-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery and preclinical development of AR453588 as an anti-diabetic glucokinase activator.
Bioorg.Med.Chem., 28, 2020
3P4B
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BU of 3p4b by Molmil
Alternatingly modified 2'Fluoro RNA octamer f/rA2U2-P3
分子名称: 5'-R(*(CFZ)P*GP*(AF2)P*AP*(UFT)P*UP*(CFZ)P*G)-3', BARIUM ION
著者Pallan, P.S, Greene, E.M, Jicman, P.A, Pandey, R.K, Manoharan, M, Rozners, E, Egli, M.
登録日2010-10-06
公開日2011-01-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Unexpected origins of the enhanced pairing affinity of 2'-fluoro-modified RNA.
Nucleic Acids Res., 39, 2011
5KC5
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BU of 5kc5 by Molmil
Crystal structure of the Cbln1 C1q domain trimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cerebellin-1
著者Elegheert, J, Clay, J.E, Siebold, C, Aricescu, A.R.
登録日2016-06-05
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.351 Å)
主引用文献Structural basis for integration of GluD receptors within synaptic organizer complexes.
Science, 353, 2016
2POR
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BU of 2por by Molmil
STRUCTURE OF PORIN REFINED AT 1.8 ANGSTROMS RESOLUTION
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CALCIUM ION, PORIN
著者Weiss, M.S, Schulz, G.E.
登録日1992-04-24
公開日1993-07-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of porin refined at 1.8 A resolution.
J.Mol.Biol., 227, 1992
6H0B
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BU of 6h0b by Molmil
Crystal structure of the human GalNAc-T4 in complex with UDP, manganese and the diglycopeptide 6.
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, ALA-THR-GLY-ALA-GLY-ALA-GLY-ALA-GLY-THR-THR-PRO-GLY-PRO-GLY, ...
著者de las Rivas, M, Daniel, E.J.P, Coelho, H, Lira-Navarrete, E, Raich, L, Companon, I, Diniz, A, Lagartera, L, Jimenez-Barbero, J, Clausen, H, Rovira, C, Marcelo, F, Corzana, F, Gerken, T.A, Hurtado-Guerrero, R.
登録日2018-07-08
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Mechanistic Insights into the Catalytic-Domain-Mediated Short-Range Glycosylation Preferences of GalNAc-T4.
ACS Cent Sci, 4, 2018
5CRF
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BU of 5crf by Molmil
Structure of the penicillin-binding protein PonA1 from Mycobacterium Tuberculosis
分子名称: PHOSPHATE ION, Penicillin-binding protein 1A
著者Filippova, E.V, Wawrzak, Z, Kiryukhina, O, Kieser, K, Endres, M, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
登録日2015-07-22
公開日2016-05-04
最終更新日2016-07-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of the transpeptidase domain of the Mycobacterium tuberculosis penicillin-binding protein PonA1 reveal potential mechanisms of antibiotic resistance.
Febs J., 283, 2016
6E4L
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BU of 6e4l by Molmil
The structure of the N-terminal domain of human clathrin heavy chain 1 (nTD) in complex with ES9
分子名称: 1,2-ETHANEDIOL, 5-bromo-N-(4-nitrophenyl)thiophene-2-sulfonamide, ACETATE ION, ...
著者Dejonghe, W, Sharma, I, Denoo, B, Munck, S.D, Bulut, H, Mylle, E, Vasileva, M, Lu, Q, Savatin, D.V, Mishev, K, Nerinckx, W, Staes, A, Drozdzecki, A, Audenaert, D, Madder, A, Friml, J, Damme, D.V, Gevaert, K, Haucke, V, Savvides, S, Winne, J, Russinova, E.
登録日2018-07-17
公開日2019-04-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Disruption of endocytosis through chemical inhibition of clathrin heavy chain function.
Nat.Chem.Biol., 15, 2019
6S04
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BU of 6s04 by Molmil
Crystal structure of an inverting family GH156 exosialidase from uncultured bacterium pG7 in complex with N-glycolylneuraminic acid
分子名称: ACETATE ION, GLYCEROL, N-glycolyl-beta-neuraminic acid, ...
著者Bule, P, Blagova, E, Chuzel, L, Taron, C.H, Davies, G.J.
登録日2019-06-13
公開日2019-11-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inverting family GH156 sialidases define an unusual catalytic motif for glycosidase action.
Nat Commun, 10, 2019
7NWW
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BU of 7nww by Molmil
CspA-27 cotranslational folding intermediate 1
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Agirrezabala, X, Samatova, E, Macher, M, Liutkute, M, Gil-Carton, D, Novacek, J, Valle, M, Rodnina, M.V.
登録日2021-03-17
公開日2022-01-19
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献A switch from alpha-helical to beta-strand conformation during co-translational protein folding.
Embo J., 41, 2022
7OIF
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BU of 7oif by Molmil
CspA-27 cotranslational folding intermediate 2
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Agirrezabala, X, Samatova, E, Macher, M, Liutkute, M, Gil-Carton, D, Novacek, J, Valle, M, Rodnina, M.V.
登録日2021-05-11
公開日2022-01-19
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献A switch from alpha-helical to beta-strand conformation during co-translational protein folding.
Embo J., 41, 2022
7O8K
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BU of 7o8k by Molmil
NmHR light state structure at 300 us after photoexcitation determined by serial femtosecond crystallography (with extrapolated, dark and light dataset)
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chloride pumping rhodopsin, OLEIC ACID, ...
著者Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P.
登録日2021-04-15
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Dynamics and mechanism of a light-driven chloride pump.
Science, 375, 2022
6E27
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BU of 6e27 by Molmil
The CARD9 CARD domain-swapped dimer with a zinc ion bound to one of the two zinc binding sites
分子名称: Caspase recruitment domain-containing protein 9, ZINC ION
著者Holliday, M.J, Ferrao, R, Boenig, G, Deuber, E.C, Fairbrother, W.J.
登録日2018-07-10
公開日2018-09-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.811 Å)
主引用文献Picomolar zinc binding modulates formation of Bcl10-nucleating assemblies of the caspase recruitment domain (CARD) of CARD9.
J. Biol. Chem., 293, 2018
7O8M
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BU of 7o8m by Molmil
NmHR light state structure at 2.5 ms (0 - 5 ms) after photoexcitation determined by serial millisecond crystallography
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chloride pumping rhodopsin, OLEIC ACID, ...
著者Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P.
登録日2021-04-15
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Dynamics and mechanism of a light-driven chloride pump.
Science, 375, 2022
7O8Q
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NmHR light state structure at 22.5 ms (20 - 25 ms) after photoexcitation determined by serial millisecond crystallography
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Chloride pumping rhodopsin, ...
著者Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P.
登録日2021-04-15
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Dynamics and mechanism of a light-driven chloride pump.
Science, 375, 2022
7O8Z
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Anomalous bromide substructure of NmHR under continuous illumination determined at 13.7 keV with serial crystallography
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BROMIDE ION, Chloride pumping rhodopsin, ...
著者Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P.
登録日2021-04-15
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Dynamics and mechanism of a light-driven chloride pump.
Science, 375, 2022
7OGC
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BU of 7ogc by Molmil
GTPase HRAS under 650 MPa pressure
分子名称: GTPase HRas, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
著者Colloc'h, N.C, Girard, E, Prange, T, Kalbitzer, H.R.
登録日2021-05-06
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography.
Chem Sci, 13, 2022
7O8P
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NmHR light state structure at 17.5 ms (15 - 20 ms) after photoexcitation determined by serial millisecond crystallography
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chloride pumping rhodopsin, OLEIC ACID, ...
著者Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P.
登録日2021-04-15
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Dynamics and mechanism of a light-driven chloride pump.
Science, 375, 2022
7OGA
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BU of 7oga by Molmil
GTPase HRAS under 200 MPa pressure
分子名称: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Colloc'h, N.C, Kalbitzer, H.R, Girard, E, Prange, T.
登録日2021-05-06
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography.
Chem Sci, 13, 2022
7OGD
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BU of 7ogd by Molmil
GTPase HRAS mutant D33K under ambient pressure
分子名称: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Colloc'h, N.C, Girard, E, Prange, T, Kalbitzer, H.R.
登録日2021-05-06
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography.
Chem Sci, 13, 2022
7O8F
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NmHR dark state structure determined by serial femtosecond crystallography
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Chloride pumping rhodopsin, ...
著者Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P.
登録日2021-04-15
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Dynamics and mechanism of a light-driven chloride pump.
Science, 375, 2022
7OIG
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BU of 7oig by Molmil
CspA-27 cotranslational folding intermediate 3
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Agirrezabala, X, Samatova, E, Macher, M, Liutkute, M, Gil-Carton, D, Novacek, J, Valle, M, Rodnina, M.V.
登録日2021-05-11
公開日2022-01-19
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献A switch from alpha-helical to beta-strand conformation during co-translational protein folding.
Embo J., 41, 2022

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