1EXE
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5CIF
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5DO6
| Crystal structure of Dendroaspis polylepis venom mambalgin-1 T23A mutant | Descriptor: | 1,2-ETHANEDIOL, IODIDE ION, Mambalgin-1, ... | Authors: | Stura, E.A, Tepshi, L, Kessler, P, Gilles, M, Servent, D. | Deposit date: | 2015-09-10 | Release date: | 2015-12-30 | Last modified: | 2017-01-25 | Method: | X-RAY DIFFRACTION (1.697 Å) | Cite: | Mambalgin-1 Pain-relieving Peptide, Stepwise Solid-phase Synthesis, Crystal Structure, and Functional Domain for Acid-sensing Ion Channel 1a Inhibition. J.Biol.Chem., 291, 2016
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3U1O
| THREE DIMENSIONAL STRUCTURE OF DE NOVO DESIGNED CYSTEINE ESTERASE ECH19, Northeast Structural Genomics Consortium Target OR49 | Descriptor: | De Novo design cysteine esterase ECH19, SODIUM ION, SULFATE ION | Authors: | Kuzin, A, Su, M, Lew, S, Forouhar, F, Seetharaman, J, Daya, P, Xiao, R, Ciccosanti, C, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-09-30 | Release date: | 2011-10-26 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.494 Å) | Cite: | Computational design of catalytic dyads and oxyanion holes for ester hydrolysis. J.Am.Chem.Soc., 134, 2012
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3UAK
| Crystal Structure of De Novo designed cysteine esterase ECH14, Northeast Structural Genomics Consortium Target OR54 | Descriptor: | De Novo designed cysteine esterase ECH14 | Authors: | Kuzin, A, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Richter, F, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-10-21 | Release date: | 2011-12-07 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.232 Å) | Cite: | Computational design of catalytic dyads and oxyanion holes for ester hydrolysis. J.Am.Chem.Soc., 134, 2012
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3U1V
| X-ray Structure of De Novo design cysteine esterase FR29, Northeast Structural Genomics Consortium Target OR52 | Descriptor: | De Novo design cysteine esterase FR29 | Authors: | Kuzin, A, Su, M, Vorobiev, S.M, Seetharaman, J, Patel, D, Xiao, R, Ciccosanti, C, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-09-30 | Release date: | 2011-12-07 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.797 Å) | Cite: | Computational design of catalytic dyads and oxyanion holes for ester hydrolysis. J.Am.Chem.Soc., 134, 2012
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3UF1
| Crystal Structure of Vimentin (fragment 144-251) from Homo sapiens, Northeast Structural Genomics Consortium Target HR4796B | Descriptor: | Vimentin | Authors: | Kuzin, A, Abashidze, M, Vorobiev, S.M, Patel, P, Xiao, R, Ciccosanti, C, Shastry, R, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-10-31 | Release date: | 2011-11-30 | Last modified: | 2013-04-24 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | The structure of vimentin linker 1 and rod 1B domains characterized by site-directed spin-labeling electron paramagnetic resonance (SDSL-EPR) and X-ray crystallography. J.Biol.Chem., 287, 2012
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1INN
| CRYSTAL STRUCTURE OF D. RADIODURANS LUXS, P21 | Descriptor: | AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, METHIONINE, ZINC ION | Authors: | Lewis, H.A, Furlong, E.B, Bergseid, M.G, Sanderson, W.E, Buchanan, S.G. | Deposit date: | 2001-05-14 | Release date: | 2001-06-08 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A structural genomics approach to the study of quorum sensing: crystal structures of three LuxS orthologs. Structure, 9, 2001
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3VB8
| Crystal Structure of Engineered Protein, Northeast Structural Genomics Consortium Target OR43 | Descriptor: | Engineered protein, SULFATE ION | Authors: | Seetharaman, J, Su, M, Procko, E, Baker, D, Ciccosanti, C, Sahdev, S, Xiao, R, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-12-31 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Computational design of a protein-based enzyme inhibitor. J.Mol.Biol., 425, 2013
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8P8K
| Acyl-ACP thioesterase from Lemna paucicostata in complex with a thiazolopyridine | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[2,6-bis(fluoranyl)phenyl]-6-chloranyl-[1,3]thiazolo[4,5-b]pyridine, Acyl-ACP thioesterase | Authors: | Freigang, J. | Deposit date: | 2023-06-01 | Release date: | 2023-09-20 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A Study in Scaffold Hopping: Discovery and Optimization of Thiazolopyridines as Potent Herbicides That Inhibit Acyl-ACP Thioesterase. J.Agric.Food Chem., 71, 2023
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3NZP
| Crystal Structure of the Biosynthetic Arginine decarboxylase SpeA from Campylobacter jejuni, Northeast Structural Genomics Consortium Target BR53 | Descriptor: | Arginine decarboxylase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | Authors: | Forouhar, F, Lew, S, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Belote, R.L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-07-16 | Release date: | 2010-09-01 | Last modified: | 2012-02-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of bacterial biosynthetic arginine decarboxylases. Acta Crystallogr.,Sect.F, 66, 2010
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3NZQ
| Crystal Structure of Biosynthetic arginine decarboxylase ADC (SpeA) from Escherichia coli, Northeast Structural Genomics Consortium Target ER600 | Descriptor: | Biosynthetic arginine decarboxylase, SULFATE ION | Authors: | Forouhar, F, Lew, S, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Belote, R.L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-07-16 | Release date: | 2010-09-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structures of bacterial biosynthetic arginine decarboxylases. Acta Crystallogr.,Sect.F, 66, 2010
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7MBJ
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7MBO
| FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR Milvexian (BMS-986177), IUPAC NAME:(6R,10S)-10-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6- oxopyrimidin-1(6H)-yl}-1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-15,11- (metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6H)-one | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, Milvexian | Authors: | Sheriff, S. | Deposit date: | 2021-04-01 | Release date: | 2021-09-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (0.924 Å) | Cite: | Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy. J.Med.Chem., 65, 2022
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3UW6
| Crystal Structure of Engineered Protein, Northeast Structural Genomics Consortium Target OR120 | Descriptor: | Alanine racemase | Authors: | Seetharaman, J, Lew, S, Nivon, L, Baker, D, Bjelic, S, Ciccosanti, C, Sahdev, S, Xiao, R, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-11-30 | Release date: | 2012-02-08 | Last modified: | 2022-03-02 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Computational design of enone-binding proteins with catalytic activity for the Morita-Baylis-Hillman reaction. Acs Chem.Biol., 8, 2013
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8QRT
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8QS0
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4DRT
| Three dimensional structure of de novo designed serine hydrolase OSH26, Northeast Structural Genomics Consortium (NESG) target OR89 | Descriptor: | CHLORIDE ION, SODIUM ION, de novo designed serine hydrolase, ... | Authors: | Kuzin, A, Su, M, Rajagopalan, S, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-02-17 | Release date: | 2012-04-18 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy. Nat.Chem.Biol., 10, 2014
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4PGL
| Crystal structure of engineered D-tagatose 3-epimerase PcDTE-ILS6 | Descriptor: | D-tagatose 3-epimerase, L-sorbose, L-tagatose, ... | Authors: | Hee, C.S, Bosshart, A, Schirmer, T. | Deposit date: | 2014-05-02 | Release date: | 2014-10-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Directed Divergent Evolution of a Thermostable D-Tagatose Epimerase towards Improved Activity for Two Hexose Substrates. Chembiochem, 16, 2015
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1QYE
| Crystal Structure of the N-domain of the ER Hsp90 chaperone GRP94 in complex with 2-chlorodideoxyadenosine | Descriptor: | 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, 2-CHLORODIDEOXYADENOSINE, Endoplasmin | Authors: | Soldano, K.L, Jivan, A, Nicchitta, C.V, Gewirth, D.T. | Deposit date: | 2003-09-10 | Release date: | 2003-11-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of the N-terminal Domain of GRP94. Basis for Ligand Specificity and Regulation J.Biol.Chem., 278, 2003
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1Q8F
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1NMC
| COMPLEX BETWEEN NC10 ANTI-INFLUENZA VIRUS NEURAMINIDASE SINGLE CHAIN ANTIBODY WITH A 15 RESIDUE LINKER AND INFLUENZA VIRUS NEURAMINIDASE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE, ... | Authors: | Malby, R.L, Mccoy, A.J, Kortt, A.A, Hudson, P.J, Colman, P.M. | Deposit date: | 1997-12-21 | Release date: | 1998-09-23 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Three-dimensional structures of single-chain Fv-neuraminidase complexes. J.Mol.Biol., 279, 1998
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4PFH
| Crystal structure of engineered D-tagatose 3-epimerase PcDTE-IDF8 | Descriptor: | D-fructose, D-psicose, D-tagatose 3-epimerase, ... | Authors: | Hee, C.S, Bosshart, A, Schirmer, T. | Deposit date: | 2014-04-29 | Release date: | 2014-10-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Directed Divergent Evolution of a Thermostable D-Tagatose Epimerase towards Improved Activity for Two Hexose Substrates. Chembiochem, 16, 2015
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3E48
| Crystal structure of a nucleoside-diphosphate-sugar epimerase (SAV0421) from Staphylococcus aureus, Northeast Structural Genomics Consortium Target ZR319 | Descriptor: | MAGNESIUM ION, Putative nucleoside-diphosphate-sugar epimerase | Authors: | Forouhar, F, Abashidze, M, Seetharaman, J, Mao, L, Janjua, H, Xiao, R, Ciccosanti, C, Foote, E.L, Wang, D, Tong, S, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-08-11 | Release date: | 2008-08-19 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: |
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2X83
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