4MZ4
 
 | | Discovery of an Irreversible HCV NS5B Polymerase Inhibitor | | Descriptor: | 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid, PHOSPHATE ION, RNA-directed RNA polymerase | | Authors: | Zeng, Q, Anilkumar, G.N, Rosenblum, S.B, Huang, H.-C, Lesburg, C.A, Jiang, Y, Selyutin, O, Chan, T.-Y, Bennett, F, Chen, K.X, Venkatraman, S, Sannigrahi, M, Velazquez, F, Duca, J.S, Gavalas, S, Huang, Y, Pu, H, Wang, L, Pinto, P, Vibulbhan, B, Agrawal, S, Ferrari, E, Jiang, C.-K, Li, C, Hesk, D, Gesell, J, Sorota, S, Shih, N.-Y, Njoroge, F.G, Kozlowski, J.A. | | Deposit date: | 2013-09-29 | | Release date: | 2013-12-11 | | Last modified: | 2013-12-18 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Discovery of an irreversible HCV NS5B polymerase inhibitor.
Bioorg.Med.Chem.Lett., 23, 2013
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4MOI
 | | Pyranose 2-oxidase H450G/V546C double mutant with 3-fluorinated glucose | | Descriptor: | 3-deoxy-3-fluoro-beta-D-glucopyranose, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Pyranose 2-oxidase | | Authors: | Tan, T.C, Spadiut, O, Gandini, R, Haltrich, D, Divne, C. | | Deposit date: | 2013-09-12 | | Release date: | 2014-02-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis for Binding of Fluorinated Glucose and Galactose to Trametes multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion.
Plos One, 9, 2014
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2WB1
 | | The complete structure of the archaeal 13-subunit DNA-directed RNA Polymerase | | Descriptor: | DNA-DIRECTED RNA POLYMERASE RPO10 SUBUNIT, DNA-DIRECTED RNA POLYMERASE RPO11 SUBUNIT, DNA-DIRECTED RNA POLYMERASE RPO12 SUBUNIT, ... | | Authors: | Korkhin, Y, Unligil, U.M, Littlefield, O, Nelson, P.J, Stuart, D.I, Sigler, P.B, Bell, S.D, Abrescia, N.G.A. | | Deposit date: | 2009-02-19 | | Release date: | 2009-05-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.52 Å) | | Cite: | Evolution of Complex RNA Polymerase: The Complete Archaeal RNA Polymerase Structure
Plos Biol., 7, 2009
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2W2T
 | | Rac2 (G12V) in complex with GDP | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAS-RELATED C3 BOTULINUM TOXIN SUBSTRATE 2 | | Authors: | Opaleye, O, Bunney, T.D, Roe, S.M, Pearl, L.H. | | Deposit date: | 2008-11-04 | | Release date: | 2009-05-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural Insights Into Formation of an Active Signaling Complex between Rac and Phospholipase C Gamma 2.
Mol.Cell, 34, 2009
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4N1X
 | | Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with penicillin G | | Descriptor: | OPEN FORM - PENICILLIN G, Peptidoglycan glycosyltransferase | | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Babnigg, G, 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) | | Deposit date: | 2013-10-04 | | Release date: | 2013-10-30 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with penicillin G
To be Published
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5DWI
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Resorcinyl 2-Chloro-substituted Diaryl-imine analog 4-[(E)-[(2-chlorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol | | Descriptor: | 4-[(E)-[(2-chlorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Wright, N.J, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2015-09-22 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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5E4T
 | | Acetylcholinesterase Methylene Blue with PEG | | Descriptor: | 1,2-ETHANEDIOL, 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM, Acetylcholinesterase, ... | | Authors: | Dym, O. | | Deposit date: | 2015-10-07 | | Release date: | 2016-03-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | The impact of crystallization conditions on structure-based drug design: A case study on the methylene blue/acetylcholinesterase complex.
Protein Sci., 25, 2016
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5DXP
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol | | Descriptor: | 4-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2015-09-23 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.201 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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5DZ0
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-[(4-methylcyclohexylidene)methanediyl]diphenol | | Descriptor: | 4,4'-[(4-methylcyclohexylidene)methanediyl]diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2015-09-25 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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4N1B
 | | STRUCTURE OF KEAP1 KELCH DOMAIN WITH(1S,2R)-2-[(1S)-1-[(1-oxo-2,3-dihydro-1H-isoindol-2-Yl)methyl]-1,2,3,4-tetrahydroisoquinoline-2-Carbonyl]cyclohexane-1-carboxylic acid | | Descriptor: | (1S,2R)-2-{[(1S)-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1 | | Authors: | Smith, M.A, Duclos, S, Beaumont, E, Kwong, J, Brooks, M, Barker, J, Jnoff, E, Brookfield, F, Courade, J.P, Barker, O, Fryatt, T, Albrecht, C, Bromidge, S. | | Deposit date: | 2013-10-03 | | Release date: | 2014-02-19 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex.
Chemmedchem, 9, 2014
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3AQO
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2W2V
 | | Rac2 (G12V) in complex with GTPgS | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, RAS-RELATED C3 BOTULINUM TOXIN SUBSTRATE 2 | | Authors: | Opaleye, O, Bunney, T.D, Roe, S.M, Pearl, L.H. | | Deposit date: | 2008-11-04 | | Release date: | 2009-05-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Insights Into Formation of an Active Signaling Complex between Rac and Phospholipase C Gamma 2.
Mol.Cell, 34, 2009
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2VOD
 | | Crystal structure of N-terminal domains of Human La protein complexed with RNA oligomer AUAUUUU | | Descriptor: | 5'-R(*AP*UP*AP*UP*UP*UP*UP)-3', LUPUS LA PROTEIN | | Authors: | Kotik-Kogan, O, Valentine, E.R, Sanfelice, D, Conte, M.R, Curry, S. | | Deposit date: | 2008-02-15 | | Release date: | 2008-05-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Analysis Reveals Conformational Plasticity in the Recognition of RNA 3' Ends by the Human La Protein.
Structure, 16, 2008
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5F1C
 | | Crystal structure of an invertebrate P2X receptor from the Gulf Coast tick in the presence of ATP and Zn2+ ion at 2.9 Angstroms | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Putative uncharacterized protein, ... | | Authors: | Kasuya, G, Hattori, M, Ishitani, R, Nureki, O. | | Deposit date: | 2015-11-30 | | Release date: | 2016-03-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural Insights into Divalent Cation Modulations of ATP-Gated P2X Receptor Channels
Cell Rep, 14, 2016
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4QKH
 | | Dimeric form of human LLT1, a ligand for NKR-P1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C-type lectin domain family 2 member D | | Authors: | Skalova, T, Blaha, J, Harlos, K, Duskova, J, Koval, T, Stransky, J, Hasek, J, Vanek, O, Dohnalek, J. | | Deposit date: | 2014-06-06 | | Release date: | 2015-03-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Four crystal structures of human LLT1, a ligand of human NKR-P1, in varied glycosylation and oligomerization states
Acta Crystallogr.,Sect.D, 71, 2015
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4QL5
 | | Crystal structure of translation initiation factor IF-1 from Streptococcus pneumoniae TIGR4 | | Descriptor: | ACETATE ION, GLYCEROL, Translation initiation factor IF-1, ... | | Authors: | Stogios, P.J, Wawrzak, Z, Onopriyenko, O, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-06-10 | | Release date: | 2014-07-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.025 Å) | | Cite: | Crystal structure of translation initiation factor IF-1 from Streptococcus pneumoniae TIGR4
TO BE PUBLISHED
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2WIM
 | | Crystal structure of NCAM2 IG1-3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAL CELL ADHESION MOLECULE 2 | | Authors: | Kulahin, N, Kristensen, O, Rasmussen, K, Kastrup, J, Berezin, V, Bock, E, Walmod, P, Gajhede, M. | | Deposit date: | 2009-05-13 | | Release date: | 2010-08-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural model and trans-interaction of the entire ectodomain of the olfactory cell adhesion molecule.
Structure, 19, 2011
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2R37
 | | Crystal structure of human glutathione peroxidase 3 (selenocysteine to glycine mutant) | | Descriptor: | CHLORIDE ION, Glutathione peroxidase 3, SODIUM ION | | Authors: | Pilka, E.S, Guo, K, Gileadi, O, Rojkowa, A, von Delft, F, Pike, A.C.W, Kavanagh, K.L, Johannson, C, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-08-29 | | Release date: | 2007-09-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of human glutathione peroxidase 3 (selenocysteine to glycine mutant).
TO BE PUBLISHED
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5F2H
 | | 2.75 Angstrom resolution crystal structure of uncharacterized protein from Bacillus cereus ATCC 10987 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Uncharacterized protein | | Authors: | Halavaty, A.S, Filippova, E.V, Wawrzak, Z, Minasov, G, Kiryukhina, O, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2015-12-01 | | Release date: | 2015-12-16 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | 2.75 Angstrom resolution crystal structure of uncharacterized protein from Bacillus cereus ATCC 10987
To Be Published
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4P79
 | | Crystal structure of mouse claudin-15 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Claudin-15 | | Authors: | Suzuki, H, Nishizawa, T, Tani, K, Yamazaki, Y, Tamura, A, Ishitani, R, Dohmae, N, Tsukita, S, Nureki, O, Fujiyoshi, Y. | | Deposit date: | 2014-03-26 | | Release date: | 2014-04-30 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of a claudin provides insight into the architecture of tight junctions.
Science, 344, 2014
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5F7A
 | | Nitrite complex structure of copper nitrite reductase from Alcaligenes faecalis determined at 293 K | | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION | | Authors: | Fukuda, Y, Tse, K.M, Nakane, T, Nakatsu, T, Suzuki, M, Sugahara, M, Inoue, S, Masuda, T, Yumoto, F, Matsugaki, N, Nango, E, Tono, K, Joti, Y, Kameshima, T, Song, C, Hatsui, T, Yabashi, M, Nureki, O, Murphy, M.E.P, Inoue, T, Iwata, S, Mizohata, E. | | Deposit date: | 2015-12-07 | | Release date: | 2016-03-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Redox-coupled proton transfer mechanism in nitrite reductase revealed by femtosecond crystallography
Proc.Natl.Acad.Sci.USA, 113, 2016
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2QIS
 | | Crystal structure of human farnesyl pyrophosphate synthase T210S mutant bound to risedronate | | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthetase, MAGNESIUM ION | | Authors: | Kavanagh, K.L, Dunford, J.E, Hozjan, V, Evdokimov, A, Gileadi, O, von Delft, F, Weigelt, J, Arrowsmith, C.H, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-07-05 | | Release date: | 2007-07-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of human farnesyl pyrophosphate synthase T210S mutant bound to risedronate.
To be Published
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4P1A
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4P19
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4P2E
 | | Acoustic transfer of protein crystals from agar pedestals to micromeshes for high throughput screening of heavy atom derivatives | | Descriptor: | CHLORIDE ION, COPPER (II) ION, Lysozyme C, ... | | Authors: | Cuttitta, C.M, Roessler, C.G, Ericson, D.L, Scalia, A, Teplitsky, E, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Sweet, R.M, Soares, A.S. | | Deposit date: | 2014-03-03 | | Release date: | 2014-04-09 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Acoustic transfer of protein crystals from agarose pedestals to micromeshes for high-throughput screening.
Acta Crystallogr.,Sect.D, 71, 2015
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