7GJX
 
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-3ccb8ef6-1 (Mpro-P0744) | | Descriptor: | (4S)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ... | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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6C7K
 | | Crystal structure of an ACO/RPE65 chimera | | Descriptor: | Apocarotenoid-15,15'-oxygenase, CHLORIDE ION, FE (II) ION | | Authors: | Kiser, P.D, Shi, W. | | Deposit date: | 2018-01-22 | | Release date: | 2018-04-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Insights into the pathogenesis of dominant retinitis pigmentosa associated with a D477G mutation in RPE65.
Hum.Mol.Genet., 27, 2018
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7GKE
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-dd3ad2b5-3 (Mpro-P0851) | | Descriptor: | (4S)-6-chloro-N~4~-(isoquinolin-4-yl)-3,4-dihydroisoquinoline-2,4(1H)-dicarboxamide, 3C-like proteinase, CHLORIDE ION, ... | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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7GKU
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-4223bc15-40 (Mpro-P1079) | | Descriptor: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-(1-methyl-1H-pyrazole-5-carbonyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ... | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.866 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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6C8M
 | | RNA-activated 2-AIpG monomer, 1.5h soaking | | Descriptor: | 2-amino-1-[(R)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]-3-[(S)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]-1H-imidazol-3-ium, 5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(hydroxy)phosphoryl]guanosine, RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*G)-3'), ... | | Authors: | Zhang, W, Szostak, J.W. | | Deposit date: | 2018-01-25 | | Release date: | 2018-05-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystallographic observation of nonenzymatic RNA primer extension.
Elife, 7, 2018
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1I5R
 | | TYPE 1 17-BETA HYDROXYSTEROID DEHYDROGENASE EM1745 COMPLEX | | Descriptor: | GLYCEROL, O5'-[9-(3,17B-DIHYDROXY-1,3,5(10)-ESTRATRIEN-16B-YL)-NONANOYL]ADENOSINE, TYPE 1 17 BETA-HYDROXYSTEROID DEHYDROGENASE | | Authors: | Qiu, W, Campbell, R.L, Boivin, P, Poirier, D, Lin, S.-X. | | Deposit date: | 2001-02-28 | | Release date: | 2003-03-11 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A concerted, rational design of type 1 17beta-hydroxysteroid dehydrogenase inhibitors:
estradiol-adenosine hybrids with high affinity
FASEB J., 16, 2002
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6C2F
 | | MBD2 in complex with methylated DNA | | Descriptor: | 12-mer DNA, Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION | | Authors: | Liu, K, Xu, C, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-01-08 | | Release date: | 2018-02-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | MBD2 in complex with methylated DNA
to be published
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7GLA
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-86c60949-2 (Mpro-P1812) | | Descriptor: | (4R)-6-chloro-N-[6-(2-hydroxypropan-2-yl)isoquinolin-4-yl]-1,2,3,4-tetrahydroquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ... | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.684 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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7GLQ
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with PET-UNK-8df914d1-2 (Mpro-P2007) | | Descriptor: | 2-(3-chlorophenyl)-N-[(4R)-imidazo[1,2-a]pyridin-3-yl]acetamide, 3C-like proteinase, CHLORIDE ION, ... | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.063 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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7GM5
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-5cd9ea36-2 (Mpro-P2089) | | Descriptor: | (4S)-6-chloro-2-(cyclopropylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ... | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.709 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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7GMK
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with PET-UNK-d899bab6-1 (Mpro-P2201) | | Descriptor: | 2-(3-chlorophenyl)-N-[6-(dimethylamino)isoquinolin-4-yl]acetamide, 3C-like proteinase, CHLORIDE ION, ... | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.845 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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7GMW
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-e119ab4f-1 (Mpro-P2224) | | Descriptor: | (4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ... | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.826 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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7GNJ
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with EDJ-MED-976a33d5-1 (Mpro-P2724) | | Descriptor: | 1-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylcyclopropane-1-carboxamide, 3C-like proteinase, CHLORIDE ION, ... | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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1D7E
 | | CRYSTAL STRUCTURE OF THE P65 CRYSTAL FORM OF PHOTOACTIVE YELLOW PROTEIN | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN | | Authors: | Van Aalten, D.M.F, Crielaard, W, Hellingwerf, K.J, Joshua-Tor, L. | | Deposit date: | 1999-10-17 | | Release date: | 2000-03-31 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Conformational substates in different crystal forms of the photoactive yellow protein--correlation with theoretical and experimental flexibility.
Protein Sci., 9, 2000
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1CHO
 | | CRYSTAL AND MOLECULAR STRUCTURES OF THE COMPLEX OF ALPHA-*CHYMOTRYPSIN WITH ITS INHIBITOR TURKEY OVOMUCOID THIRD DOMAIN AT 1.8 ANGSTROMS RESOLUTION | | Descriptor: | ALPHA-CHYMOTRYPSIN A, TURKEY OVOMUCOID THIRD DOMAIN (OMTKY3) | | Authors: | Fujinaga, M, Sielecki, A.R, Read, R.J, Ardelt, W, Laskowskijunior, M, James, M.N.G. | | Deposit date: | 1988-03-04 | | Release date: | 1988-07-16 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal and molecular structures of the complex of alpha-chymotrypsin with its inhibitor turkey ovomucoid third domain at 1.8 A resolution.
J.Mol.Biol., 195, 1987
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6BSQ
 | | Enterococcus faecalis Penicillin Binding Protein 4 (PBP4) | | Descriptor: | CHLORIDE ION, GLYCEROL, PBP4 protein | | Authors: | Moon, T.M, D'Andrea, E.D, Peti, W, Page, R. | | Deposit date: | 2017-12-04 | | Release date: | 2018-10-31 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance.
J. Biol. Chem., 293, 2018
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6C4G
 | | Plasmepsin V from Plasmodium vivax bound to a transition state mimetic (WEHI-601) | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Czabotar, P.E, Hodder, A.N, Nguyen, W, Sleebs, B.E, Boddey, J.A, Cowman, A.F. | | Deposit date: | 2018-01-11 | | Release date: | 2018-06-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Enhanced antimalarial activity of plasmepsin V inhibitors by modification of the P2position of PEXEL peptidomimetics.
Eur J Med Chem, 154, 2018
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1I31
 | | MU2 ADAPTIN SUBUNIT (AP50) OF AP2 CLATHRIN ADAPTOR, COMPLEXED WITH EGFR INTERNALIZATION PEPTIDE FYRALM AT 2.5 A RESOLUTION | | Descriptor: | CLATHRIN COAT ASSEMBLY PROTEIN AP50, EPIDERMAL GROWTH FACTOR RECEPTOR | | Authors: | Modis, Y, Boll, W, Rapoport, I, Kirchhausen, T. | | Deposit date: | 2001-02-12 | | Release date: | 2001-02-21 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | MU2 ADAPTIN SUBUNIT (AP50) OF AP2 CLATHRIN ADAPTOR, COMPLEXED WITH EGFR INTERNALIZATION PEPTIDE FYRALM AT 2.5 A RESOLUTION
To be Published
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6C5Y
 | | Crystal structure of thaumatin from microcrystals | | Descriptor: | Thaumatin-1 | | Authors: | Guo, G, Fuchs, M, Shi, W, Skinner, J, Berman, E, Ogata, C.M, Hendrickson, W.A, McSweeney, S, Liu, Q. | | Deposit date: | 2018-01-17 | | Release date: | 2018-05-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Sample manipulation and data assembly for robust microcrystal synchrotron crystallography.
IUCrJ, 5, 2018
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1JI7
 | | Crystal Structure of TEL SAM Polymer | | Descriptor: | ETS-RELATED PROTEIN TEL1, SULFATE ION | | Authors: | Kim, C.A, Phillips, M.L, Kim, W, Gingery, M, Tran, H.H, Robinson, M.A, Faham, S, Bowie, J.U. | | Deposit date: | 2001-06-29 | | Release date: | 2002-07-03 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Polymerization of the SAM domain of TEL in leukemogenesis and transcriptional repression.
EMBO J., 20, 2001
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1K34
 | | Crystal structure analysis of gp41 core mutant | | Descriptor: | Transmembrane glycoprotein GP41 | | Authors: | Shu, W, Lu, M. | | Deposit date: | 2001-10-01 | | Release date: | 2001-10-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Interhelical interactions in the gp41 core: implications for activation of HIV-1 membrane fusion.
Biochemistry, 41, 2002
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1JFN
 | | SOLUTION STRUCTURE OF HUMAN APOLIPOPROTEIN(A) KRINGLE IV TYPE 6 | | Descriptor: | APOLIPOPROTEIN A, KIV-T6 | | Authors: | Maderegger, B, Bermel, W, Hrzenjak, A, Kostner, G.M, Sterk, H. | | Deposit date: | 2001-06-21 | | Release date: | 2002-06-28 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Solution structure of human apolipoprotein(a) kringle IV type 6.
Biochemistry, 41, 2002
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6C7P
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6CA0
 | | Cryo-EM structure of E. coli RNAP sigma70 open complex | | Descriptor: | DNA (35-MER), DNA (45-MER), DNA (5'-D(P*GP*CP*CP*GP*CP*GP*TP*CP*AP*GP*A)-3'), ... | | Authors: | Narayanan, A, Vago, F, Li, K, Qayyum, M.Z, Yernool, D, Jiang, W, Murakami, K.S. | | Deposit date: | 2018-01-29 | | Release date: | 2018-02-28 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (5.75 Å) | | Cite: | Cryo-EM structure ofEscherichia colisigma70RNA polymerase and promoter DNA complex revealed a role of sigma non-conserved region during the open complex formation.
J. Biol. Chem., 293, 2018
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1FP3
 | | CRYSTAL STRUCTURE OF N-ACYL-D-GLUCOSAMINE 2-EPIMERASE FROM PORCINE KIDNEY | | Descriptor: | N-ACYL-D-GLUCOSAMINE 2-EPIMERASE | | Authors: | Itoh, T, Mikami, B, Maru, I, Ohta, Y, Hashimoto, W, Murata, K. | | Deposit date: | 2000-08-30 | | Release date: | 2000-11-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of N-acyl-D-glucosamine 2-epimerase from porcine kidney at 2.0 A resolution.
J.Mol.Biol., 303, 2000
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