6YLS
 
 | | mEos4b - Directionality of Optical Properties of Fluorescent Proteins | | Descriptor: | CHLORIDE ION, Green to red photoconvertible GFP-like protein EosFP, SODIUM ION | | Authors: | Myskova, J, Rybakova, O, Brynda, J, Lazar, J. | | Deposit date: | 2020-04-07 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Directionality of light absorption and emission in representative fluorescent proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5WPL
 | | KRas G12V, bound to GppNHp and miniprotein 225-11 | | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Lee, S.-J, Shim, S.Y, McGee, J.H, Verdine, G.L. | | Deposit date: | 2017-08-05 | | Release date: | 2018-01-03 | | Last modified: | 2018-03-14 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Exceptionally high-affinity Ras binders that remodel its effector domain.
J. Biol. Chem., 293, 2018
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3WFA
 | | Catalytic role of the calcium ion in GH97 inverting glycoside hydrolase | | Descriptor: | Alpha-glucosidase, SODIUM ION, {[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID | | Authors: | Okuyama, M, Yoshida, T, Hondoh, H, Mori, H, Yao, M, Kimura, A. | | Deposit date: | 2013-07-18 | | Release date: | 2014-07-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Catalytic role of the calcium ion in GH97 inverting glycoside hydrolase
To be Published
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6YBY
 | | Crystal structure of the D116N mutant of the light-driven sodium pump KR2 in the monomeric form, pH 4.6 | | Descriptor: | EICOSANE, RETINAL, SODIUM ION, ... | | Authors: | Kovalev, K, Gushchin, I, Gordeliy, V. | | Deposit date: | 2020-03-18 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular mechanism of light-driven sodium pumping.
Nat Commun, 11, 2020
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5WHE
 | | KRas G12V/D38P, bound to GppNHp and miniprotein 225-11 | | Descriptor: | CALCIUM ION, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Shim, S.Y, McGee, J.H, Lee, S.-J, Verdine, G.L. | | Deposit date: | 2017-07-16 | | Release date: | 2018-01-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Exceptionally high-affinity Ras binders that remodel its effector domain.
J. Biol. Chem., 293, 2018
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3WH6
 | | Crystal structure of GH1 beta-glucosidase Td2F2 glucose complex | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, SODIUM ION, alpha-D-glucopyranose, ... | | Authors: | Jo, T, Fushinobu, S, Uchiyama, T, Yaoi, K. | | Deposit date: | 2013-08-21 | | Release date: | 2014-09-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure and identification of a key amino acid for glucose tolerance, substrate specificity, and transglycosylation activity of metagenomic beta-glucosidase Td2F2.
Febs J., 283, 2016
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6YOB
 | | Structure of Lysozyme from COC IMISX setup collected by rotation serial crystallography on crystals prelocated by 2D X-ray phase-contrast imaging | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, ACETIC ACID, BROMIDE ION, ... | | Authors: | Huang, C.-Y, Martiel, I, Villanueva-Perez, P, Panepucci, E, Caffrey, M, Wang, M. | | Deposit date: | 2020-04-14 | | Release date: | 2020-11-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Low-dose in situ prelocation of protein microcrystals by 2D X-ray phase-contrast imaging for serial crystallography.
Iucrj, 7, 2020
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5T0S
 | | Synaptotagmin 1 C2B domain, cadmium-bound | | Descriptor: | CADMIUM ION, SODIUM ION, Synaptotagmin-1 | | Authors: | Taylor, A.B, Hart, P.J, Igumenova, T.I. | | Deposit date: | 2016-08-16 | | Release date: | 2017-06-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Non-Native Metal Ion Reveals the Role of Electrostatics in Synaptotagmin 1-Membrane Interactions.
Biochemistry, 56, 2017
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3WRN
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3WV1
 | | Crystal structure of the catalytic domain of MMP-13 complexed with 4-(2-((6-fluoro-2-((3-methoxybenzyl)carbamoyl)-4-oxo-3,4-dihydroquinazolin-5-yl)oxy)ethyl)benzoic acid | | Descriptor: | 4-[2-({6-fluoro-2-[(3-methoxybenzyl)carbamoyl]-4-oxo-3,4-dihydroquinazolin-5-yl}oxy)ethyl]benzoic acid, CALCIUM ION, Collagenase 3, ... | | Authors: | Oki, H, Tanaka, Y. | | Deposit date: | 2014-05-12 | | Release date: | 2015-05-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Discovery of novel, highly potent, and selective quinazoline-2-carboxamide-based matrix metalloproteinase (MMP)-13 inhibitors without a zinc binding group using a structure-based design approach
J.Med.Chem., 57, 2014
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5WN5
 | | APE1 exonuclease substrate complex with a C/T mismatch and Mn2+ | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DV3))-3'), DNA (5'-D(*GP*GP*AP*TP*CP*CP*GP*TP*CP*GP*AP*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | Authors: | Freudenthal, B.D, Whitaker, A.M. | | Deposit date: | 2017-07-31 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Molecular snapshots of APE1 proofreading mismatches and removing DNA damage.
Nat Commun, 9, 2018
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6XEP
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5WHB
 | | KRas G12V, bound to GDP and miniprotein 225-11(A30R) | | Descriptor: | CALCIUM ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Shim, S.Y, McGee, J.H, Lee, S.-J, Verdine, G.L. | | Deposit date: | 2017-07-16 | | Release date: | 2018-01-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Exceptionally high-affinity Ras binders that remodel its effector domain.
J. Biol. Chem., 293, 2018
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3WNK
 | | Crystal Structure of Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase | | Descriptor: | ACETATE ION, CADMIUM ION, CALCIUM ION, ... | | Authors: | Suzuki, N, Fujimoto, Z, Kim, Y.M, Momma, M, Kishine, N, Suzuki, R, Kobayashi, M, Kimura, A, Funane, K. | | Deposit date: | 2013-12-10 | | Release date: | 2014-02-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural elucidation of the cyclization mechanism of alpha-1,6-glucan by Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase.
J.Biol.Chem., 289, 2014
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3W5A
 | | Crystal structure of the calcium pump and sarcolipin from rabbit fast twitch skeletal muscle in the E1.Mg2+ state | | Descriptor: | 2',3'-O-[(1r)-2,4,6-trinitrocyclohexa-2,5-diene-1,1-diyl]adenosine 5'-(dihydrogen phosphate), MAGNESIUM ION, PHOSPHATIDYLETHANOLAMINE, ... | | Authors: | Toyoshima, C, Iwasawa, S, Ogawa, H, Hirata, A, Tsueda, J, Inesi, G. | | Deposit date: | 2013-01-27 | | Release date: | 2013-03-06 | | Last modified: | 2013-03-27 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Crystal structures of the calcium pump and sarcolipin in the Mg2+-bound E1 state.
Nature, 495, 2013
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5TDW
 | | Set3 PHD finger in complex with histone H3K4me3 | | Descriptor: | SET domain-containing protein 3, SODIUM ION, ZINC ION, ... | | Authors: | Andrews, F.H, Ali, M, Kutateladze, T.G. | | Deposit date: | 2016-09-19 | | Release date: | 2016-10-19 | | Last modified: | 2017-06-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Insight into Recognition of Methylated Histone H3K4 by Set3.
J. Mol. Biol., 429, 2017
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7N27
 | | Crystal Structure of chromodomain of CDYL in complex with inhibitor UNC6261 | | Descriptor: | Isoform 2 of Chromodomain Y-like protein, SODIUM ION, UNKNOWN ATOM OR ION, ... | | Authors: | Beldar, S, Dong, A, Loppnau, P, Min, J, Arrowsmith, C.H, Edwards, A.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-05-28 | | Release date: | 2021-07-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure of chromodomain of CDYL in complex with inhibitor UNC6261
To Be Published
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6XTG
 | | Ab 1116NS19.9 bound to CA19-9 | | Descriptor: | Heavy chain, Light chain, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Diskin, R, Borenstein-Katz, A. | | Deposit date: | 2020-01-16 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Biomolecular Recognition of the Glycan Neoantigen CA19-9 by Distinct Antibodies.
J.Mol.Biol., 433, 2021
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6WQA
 | | 2.0A angstrom A2a adenosine receptor structure using XFEL data collected in helium atmosphere. | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | | Authors: | Lee, M.-Y, Geiger, J, Ishchenko, A, Han, G.W, Barty, A, White, T.A, Gati, C, Batyuk, A, Hunter, M.S, Aquila, A, Boutet, S, Weierstall, U, Cherezov, V, Liu, W. | | Deposit date: | 2020-04-28 | | Release date: | 2020-11-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Harnessing the power of an X-ray laser for serial crystallography of membrane proteins crystallized in lipidic cubic phase
Iucrj, 7, 2020
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5YOI
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5T9B
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6X4I
 | | Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with 3'-uridinemonophosphate | | Descriptor: | 1,2-ETHANEDIOL, 3'-URIDINEMONOPHOSPHATE, SODIUM ION, ... | | Authors: | Chang, C, Kim, Y, Maltseva, N, Jedrzejczak, R, Endres, M, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-05-22 | | Release date: | 2020-06-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Tipiracil binds to uridine site and inhibits Nsp15 endoribonuclease NendoU from SARS-CoV-2.
Commun Biol, 4, 2021
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5TNZ
 | | HtrA2 S142D mutant | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SODIUM ION, Serine protease HTRA2, ... | | Authors: | Macedo-Ribeiro, S, Merski, M, Pereira, P.J.B. | | Deposit date: | 2016-10-15 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Molecular motion regulates the activity of the Mitochondrial Serine Protease HtrA2.
Cell Death Dis, 8, 2017
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3WH7
 | | Crystal structure of GH1 beta-glucosidase Td2F2 L-fucose complex | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, SODIUM ION, beta-D-fucopyranose, ... | | Authors: | Jo, T, Fushinobu, S, Uchiyama, T, Yaoi, K. | | Deposit date: | 2013-08-21 | | Release date: | 2014-09-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Crystal structure and identification of a key amino acid for glucose tolerance, substrate specificity, and transglycosylation activity of metagenomic beta-glucosidase Td2F2.
Febs J., 283, 2016
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6YBF
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