1I2Z
 
 | | E. COLI ENOYL REDUCTASE IN COMPLEX WITH NAD AND BRL-12654 | | Descriptor: | 4-(2-THIENYL)-1-(4-METHYLBENZYL)-1H-IMIDAZOLE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Heerding, D.A, Miller, W.H, Payne, D.J, Janson, C.A, Qiu, X. | | Deposit date: | 2001-02-12 | | Release date: | 2002-02-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 1,4-Disubstituted imidazoles are potential antibacterial agents functioning as inhibitors of enoyl acyl carrier protein
reductase (FabI).
Bioorg.Med.Chem.Lett., 11, 2001
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4C3Y
 | | Crystal structure of 3-ketosteroid delta1-dehydrogenase from Rhodococcus erythropolis SQ1 in complex with 1,4-androstadiene-3,17- dione | | Descriptor: | 3-KETOSTEROID DEHYDROGENASE, ANDROSTA-1,4-DIENE-3,17-DIONE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Rohman, A, van Oosterwijk, N, Thunnissen, A.M.W.H, Dijkstra, B.W. | | Deposit date: | 2013-08-28 | | Release date: | 2013-11-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure and Site-Directed Mutagenesis of 3-Ketosteroid Delta1-Dehydrogenase from Rhodococcus Erythropolis Sq1 Explain its Catalytic Mechanism
J.Biol.Chem., 288, 2013
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6HUF
 | | Coping with strong translational non-crystallographic symmetry and extreme anisotropy in molecular replacement with Phaser: human Rab27a | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Rab-27A | | Authors: | Jamshidiha, M, Perez-Dorado, I, Murray, J.W, Tate, E.W, Cota, E, Read, R.J. | | Deposit date: | 2018-10-08 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Coping with strong translational noncrystallographic symmetry and extreme anisotropy in molecular replacement with Phaser: human Rab27a.
Acta Crystallogr D Struct Biol, 75, 2019
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2M5X
 | | Novel method of protein purification for structural research. Example of ultra high resolution structure of SPI-2 inhibitor by X-ray and NMR spectroscopy. | | Descriptor: | Silk protease inhibitor 2 | | Authors: | Lenarcic Zivkovic, M, Dvornyk, A, Kludkiewicz, B, Kopera, E, Zagorski-Ostoja, W, Grzelak, K, Zhukov, I, Bal, W. | | Deposit date: | 2013-03-12 | | Release date: | 2014-03-12 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Atomic resolution structure of a protein prepared by non-enzymatic His-tag removal. Crystallographic and NMR study of GmSPI-2 inhibitor.
Plos One, 9, 2014
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7C2J
 | | Crystal structure of nsp16-nsp10 heterodimer from SARS-CoV-2 in complex with SAM (without additional SAM during crystallization) | | Descriptor: | 2'-O-methyltransferase, Non-structural protein 10, S-ADENOSYLMETHIONINE, ... | | Authors: | Lin, S, Chen, H, Ye, F, Chen, Z.M, Yang, F.L, Zheng, Y, Cao, Y, Qiao, J.X, Yang, S.Y, Lu, G.W. | | Deposit date: | 2020-05-07 | | Release date: | 2020-05-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.799 Å) | | Cite: | Crystal structure of SARS-CoV-2 nsp10/nsp16 2'-O-methylase and its implication on antiviral drug design.
Signal Transduct Target Ther, 5, 2020
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8PEJ
 | | CjGH35 with a Galactosidase Activity-Based Probe | | Descriptor: | (1~{S},2~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol, ACETATE ION, Beta-galactosidase, ... | | Authors: | Offen, W.A, Davies, G.J. | | Deposit date: | 2023-06-14 | | Release date: | 2023-10-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The development of a broad-spectrum retaining beta-exo-galactosidase activity-based probe.
Org.Biomol.Chem., 21, 2023
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4X9O
 | | Beta-ketoacyl-ACP synthase III -2 (FabH2) (C113A) from Vibrio Cholerae soaked with octanoyl-CoA: conformational changes without clearly bound substrate | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2 | | Authors: | Hou, J, Cooper, D.R, Shabalin, I.G, Grabowski, M, Shumilin, I, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-12-11 | | Release date: | 2015-03-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and enzymatic studies of beta-ketoacyl-(acyl carrier protein) synthase III (FabH) from Vibrio cholerae
to be published
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2M9E
 | | NMR solution structure of Pin1 WW domain mutant 5-1 | | Descriptor: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Enck, S, Chen, W, Price, J.L, Powers, E.T, Wong, C, Dyson, H.J, Kelly, J.W. | | Deposit date: | 2013-06-07 | | Release date: | 2013-06-26 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural and energetic basis of carbohydrate-aromatic packing interactions in proteins.
J.Am.Chem.Soc., 135, 2013
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3R1C
 | | Crystal structure of GCGGCGGC duplex | | Descriptor: | RNA (5'-R(*GP*CP*GP*GP*CP*GP*GP*C)-3'), SULFATE ION | | Authors: | Kiliszek, A, Kierzek, R, Krzyzosiak, W.J, Rypniewski, W. | | Deposit date: | 2011-03-10 | | Release date: | 2011-06-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.0531 Å) | | Cite: | Crystal structures of CGG RNA repeats with implications for fragile X-associated tremor ataxia syndrome.
Nucleic Acids Res., 39, 2011
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2M4N
 | | Solution structure of the putative Ras interaction domain of AFD-1, isoform a from Caenorhabditis elegans | | Descriptor: | Protein AFD-1, isoform a | | Authors: | Harris, R, Hillerich, B, Ahmed, M, Bonanno, J.B, Chamala, S, Evans, B, Lafleur, J, Hammonds, J, Washington, E, Stead, M, Love, J, Attonito, J, Seidel, R.D, Liddington, R.C, Weis, W.I, Nelson, W.J, Girvin, M.E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Assembly, Dynamics and Evolution of Cell-Cell and Cell-Matrix Adhesions (CELLMAT) | | Deposit date: | 2013-02-07 | | Release date: | 2013-03-20 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the putative Ras interaction domain of AFD-1, isoform a from Caenorhabditis elegans
To be Published
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2DHE
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2ZT9
 | | Crystal Structure of the Cytochrome b6f Complex from Nostoc sp. PCC 7120 | | Descriptor: | (7R,17E)-4-HYDROXY-N,N,N,7-TETRAMETHYL-7-[(8E)-OCTADEC-8-ENOYLOXY]-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-17-EN-1-AMINIUM 4-OXIDE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, Apocytochrome f, ... | | Authors: | Craner, W.A, Baniulis, D, Yamashita, E. | | Deposit date: | 2008-09-27 | | Release date: | 2009-02-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure-Function, Stability, and Chemical Modification of the Cyanobacterial Cytochrome b6f Complex from Nostoc sp. PCC 7120
J.Biol.Chem., 284, 2009
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2M2T
 | | ASFV Pol X structure | | Descriptor: | Repair DNA polymerase X | | Authors: | Wu, W, Su, M, Tsai, M. | | Deposit date: | 2013-01-03 | | Release date: | 2014-04-02 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | How a low-fidelity DNA polymerase chooses non-Watson-Crick from Watson-Crick incorporation.
J.Am.Chem.Soc., 136, 2014
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2Z37
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6OVG
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7ZEJ
 | | Crystal structure of the human MGC45594 gene product in complex with celecoxib. | | Descriptor: | 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prostaglandin reductase 3 | | Authors: | Shafqat, N, Yue, W.W, Koekemoer, L, Niesen, F, Ugochukwu, E, Vollmar, M, Weigelt, J, Krojer, T, Pike, A, Chaikaud, A, Von Delft, F, Arrowsmith, C, Bountra, C, Edwards, A, Opperman, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-03-31 | | Release date: | 2022-05-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Human prostaglandin/alkenal reductases: substrate specificities, inhibitor profiles, structural insights and subcellular localization suggest protective roles in inflammatory and oxidative stress conditions.
To Be Published
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2Z38
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5X3G
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3IK9
 | | Human GST A1-1-GIMF with GSDHN | | Descriptor: | (S)-2-amino-5-((R)-1-(carboxymethylamino)-3-((3S,4R)-1,4-dihydroxynonan-3-ylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid, Glutathione S-transferase A1 | | Authors: | Balogh, L.M, Le Trong, I, Atkins, W.M, Stenkamp, R.E. | | Deposit date: | 2009-08-05 | | Release date: | 2010-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Substrate specificity combined with stereopromiscuity in glutathione transferase A4-4-dependent metabolism of 4-hydroxynonenal.
Biochemistry, 49, 2010
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2M9I
 | | NMR solution structure of Pin1 WW domain variant 6-1 | | Descriptor: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Enck, S, Chen, W, Price, J.L, Powers, E.T, Wong, C, Dyson, H.J, Kelly, J.W. | | Deposit date: | 2013-06-10 | | Release date: | 2013-06-26 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural and energetic basis of carbohydrate-aromatic packing interactions in proteins.
J.Am.Chem.Soc., 135, 2013
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2MA1
 | | Solution structure of HRDC1 domain of RecQ helicase from Deinococcus radiodurans | | Descriptor: | DNA helicase RecQ | | Authors: | Liu, S, Zhang, W, Gao, Z, Ming, Q, Hou, H, Lan, W, Wu, H, Cao, C, Dong, Y. | | Deposit date: | 2013-06-24 | | Release date: | 2013-07-10 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR structure of the N-terminal-most HRDC1 domain of RecQ helicase from Deinococcus radiodurans
To be Published
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2DFJ
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4XNW
 | | The human P2Y1 receptor in complex with MRS2500 | | Descriptor: | P2Y purinoceptor 1,Rubredoxin,P2Y purinoceptor 1, ZINC ION, [(1R,2S,4S,5S)-4-[2-iodo-6-(methylamino)-9H-purin-9-yl]-2-(phosphonooxy)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate | | Authors: | Zhang, D, Gao, Z, Jacobson, K, Han, G.W, Stevens, R, Zhao, Q, Wu, B, GPCR Network (GPCR) | | Deposit date: | 2015-01-16 | | Release date: | 2015-04-01 | | Last modified: | 2020-02-05 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Two disparate ligand-binding sites in the human P2Y1 receptor
Nature, 520, 2015
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8HP3
 | | Crystal structure of meso-diaminopimelate dehydrogenase from Prevotella timonensis | | Descriptor: | 1,2-ETHANEDIOL, Meso-diaminopimelate D-dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Tan, Y, Song, W. | | Deposit date: | 2022-12-11 | | Release date: | 2023-12-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.07 Å) | | Cite: | Rational Design of Meso -Diaminopimelate Dehydrogenase with Enhanced Reductive Amination Activity for Efficient Production of d- p -Hydroxyphenylglycine.
Appl.Environ.Microbiol., 89, 2023
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1NL6
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