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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3U09
 | | Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (FabG)(G92D) from Vibrio cholerae | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] reductase FabG, SULFATE ION, UNKNOWN ATOM OR ION | | Authors: | Hou, J, Chruszcz, M, Zheng, H, Grabowski, M, Fratczak, Z, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-09-28 | | Release date: | 2011-10-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Dissecting the Structural Elements for the Activation of beta-Ketoacyl-(Acyl Carrier Protein) Reductase from Vibrio cholerae.
J.Bacteriol., 198, 2015
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3UA4
 | | Crystal Structure of Protein Arginine Methyltransferase PRMT5 | | Descriptor: | GLYCEROL, Protein arginine N-methyltransferase 5 | | Authors: | Sun, L, Wang, M, Lv, Z, Yang, N, Liu, Y, Bao, S, Gong, W, Xu, R.M. | | Deposit date: | 2011-10-21 | | Release date: | 2011-12-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.005 Å) | | Cite: | Structural insights into protein arginine symmetric dimethylation by PRMT5
Proc.Natl.Acad.Sci.USA, 108, 2011
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2KM6
 | | NMR structure of the NLRP7 Pyrin domain | | Descriptor: | NACHT, LRR and PYD domains-containing protein 7 | | Authors: | Pinheiro, A, Proell, M, Schwarzenbacher, R, Peti, W. | | Deposit date: | 2009-07-21 | | Release date: | 2010-06-09 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional structure of the NLRP7 pyrin domain: insight into pyrin-pyrin-mediated effector domain signaling in innate immunity.
J.Biol.Chem., 285, 2010
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4F3O
 | | DNA Polymerase I Large Fragment Complex 5 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*C*AP*TP*GP*AP*GP*AP*GP*TP*CP*AP*GP*G)-3'), ... | | Authors: | Wang, W, Beese, L.S. | | Deposit date: | 2012-05-09 | | Release date: | 2013-07-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Structures of a High-fidelity DNA Polymerase
to be published
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2KDX
 | | Solution structure of HypA protein | | Descriptor: | Hydrogenase/urease nickel incorporation protein hypA, ZINC ION | | Authors: | Xia, W, Li, H, Sze, K.-H. | | Deposit date: | 2009-01-20 | | Release date: | 2009-10-20 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of a nickel chaperone, HypA, from Helicobacter pylori reveals two distinct metal binding sites
J.Am.Chem.Soc., 131, 2009
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1ICG
 | | STRUCTURE OF THE HYBRID RNA/DNA R-GCUUCGGC-D[F]U IN PRESENCE OF IR(NH3)6+++ | | Descriptor: | 5'-R(*GP*CP*UP*UP*CP*GP*GP*C)-D(P*(UFP))-3', CHLORIDE ION, IRIDIUM HEXAMMINE ION | | Authors: | Cruse, W, Saludjian, P, Neuman, A, Prange, T. | | Deposit date: | 2001-03-31 | | Release date: | 2001-04-09 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Destabilizing effect of a fluorouracil extra base in a hybrid RNA duplex compared with bromo and chloro analogues.
Acta Crystallogr.,Sect.D, 57, 2001
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3TLJ
 | | Crystal structure of Trm14 from Pyrococcus furiosus in complex with S-adenosyl-L-homocysteine | | Descriptor: | ACETATE ION, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine N2-)-methyltransferase Trm14 | | Authors: | Fislage, M, Roovers, M, Tuszynska, I, Bujnicki, J.M, Droogmans, L, Versees, W. | | Deposit date: | 2011-08-30 | | Release date: | 2012-03-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of the tRNA:m2G6 methyltransferase Trm14/TrmN from two domains of life.
Nucleic Acids Res., 40, 2012
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1I1O
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3TM5
 | | Crystal structure of Trm14 from Pyrococcus furiosus in complex with sinefungin | | Descriptor: | Crystal structure of Trm14, SINEFUNGIN | | Authors: | Fislage, M, Roovers, M, Tuszynska, I, Bujnicki, J.M, Droogmans, L, Versees, W. | | Deposit date: | 2011-08-31 | | Release date: | 2012-03-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Crystal structures of the tRNA:m2G6 methyltransferase Trm14/TrmN from two domains of life.
Nucleic Acids Res., 40, 2012
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1I1S
 | | SOLUTION STRUCTURE OF THE TRANSCRIPTIONAL ACTIVATION DOMAIN OF THE BACTERIOPHAGE T4 PROTEIN MOTA | | Descriptor: | MOTA | | Authors: | Li, N, Zhang, W, White, S.W, Kriwacki, R.W. | | Deposit date: | 2001-02-02 | | Release date: | 2001-02-14 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the transcriptional activation domain of the bacteriophage T4 protein, MotA.
Biochemistry, 40, 2001
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3TJM
 | | Crystal Structure of the Human Fatty Acid Synthase Thioesterase Domain with an Activate Site-Specific Polyunsaturated Fatty Acyl Adduct | | Descriptor: | Fatty acid synthase, methyl (R)-(6Z,9Z,12Z)-octadeca-6,9,12-trien-1-ylphosphonofluoridate | | Authors: | Zhang, W, Zheng, F, Florante, A.Q. | | Deposit date: | 2011-08-24 | | Release date: | 2011-09-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Crystal structure of FAS thioesterase domain with polyunsaturated fatty acyl adduct and inhibition by dihomo-gamma-linolenic acid.
Proc.Natl.Acad.Sci.USA, 108, 2011
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2L9E
 | | Solution Structure of the human Anti-codon Stem and loop(hASL) of transfer RNA Lysine 3 (tRNALys3) | | Descriptor: | RNA (5'-R(*GP*CP*AP*GP*AP*CP*UP*(70U)P*UP*UP*(12A)P*AP*UP*CP*UP*GP*C)-3') | | Authors: | Vendeix, F.A.P, Murphy IV, F.V, Cantara, W, Leszczynska, G, Gustilo, E.M, Sproat, B, Malkiewicz, A.A.P, Agris, P.F. | | Deposit date: | 2011-02-08 | | Release date: | 2011-03-02 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the human Anti-codon Stem and loop(hASL) of transfer RNA Lysine 3 (tRNALys3)
To be Published
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1LWW
 | | Borohydride-trapped hOgg1 Intermediate Structure Co-Crystallized with 8-bromoguanine | | Descriptor: | 5'-D(*GP*CP*GP*TP*CP*CP*AP*(PED)P*GP*TP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', 8-BROMOGUANINE, ... | | Authors: | Fromme, J.C, Bruner, S.D, Yang, W, Karplus, M, Verdine, G.L. | | Deposit date: | 2002-06-03 | | Release date: | 2003-02-25 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Product-Assisted Catalysis in Base Excision DNA Repair
Nat.Struct.Biol., 10, 2003
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2LQN
 | | Solution structure of CRKL | | Descriptor: | Crk-like protein | | Authors: | Jankowski, W, Saleh, T, Kalodimos, C. | | Deposit date: | 2012-03-09 | | Release date: | 2012-05-16 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Domain organization differences explain Bcr-Abl's preference for CrkL over CrkII.
Nat.Chem.Biol., 8, 2012
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1LUJ
 | | Crystal Structure of the Beta-catenin/ICAT Complex | | Descriptor: | Beta-catenin-interacting protein 1, Catenin beta-1 | | Authors: | Graham, T.A, Clements, W.K, Kimelman, D, Xu, W. | | Deposit date: | 2002-05-22 | | Release date: | 2002-10-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of the beta-catenin/ICAT complex reveals the inhibitory mechanism of ICAT.
Mol.Cell, 10, 2002
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4W87
 | | Crystal structure of XEG5A, a GH5 xyloglucan-specific endo-beta-1,4-glucanase from metagenomic library, in complex with a xyloglucan oligosaccharide | | Descriptor: | MAGNESIUM ION, Xyloglucan-specific endo-beta-1,4-glucanase, alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Santos, C.R, Cordeiro, R.L, Wong, D.W.S, Murakami, M.T. | | Deposit date: | 2014-08-22 | | Release date: | 2015-03-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural Basis for Xyloglucan Specificity and alpha-d-Xylp(1 6)-d-Glcp Recognition at the -1 Subsite within the GH5 Family.
Biochemistry, 54, 2015
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1LZZ
 | | Rat neuronal NOS heme domain with N-isopropyl-N'-hydroxyguanidine bound | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-ISOPROPYL-N'-HYDROXYGUANIDINE, ... | | Authors: | Li, H, Shimizu, H, Flinspach, M, Jamal, J, Yang, W, Xian, M, Cai, T, Wen, E.Z, Jia, Q, Wang, P.G, Poulos, T.L. | | Deposit date: | 2002-06-11 | | Release date: | 2002-11-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The Novel Binding Mode of N-Alkyl-N'-Hydroxyguanidine to Neuronal Nitric Oxide
Synthase Provides Mechanistic Insights into NO Biosynthesis
Biochemistry, 41, 2002
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1IBQ
 | | ASPERGILLOPEPSIN FROM ASPERGILLUS PHOENICIS | | Descriptor: | ASPERGILLOPEPSIN, ZINC ION, alpha-D-mannopyranose | | Authors: | Cho, S.W, Shin, W. | | Deposit date: | 2001-03-28 | | Release date: | 2001-07-04 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structure of aspergillopepsin I from Aspergillus phoenicis: variations of the S1'-S2 subsite in aspartic proteinases.
Acta Crystallogr.,Sect.D, 57, 2001
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4F8R
 | | Bacillus DNA Polymerase I Large Fragment complex 7 | | Descriptor: | DNA (5'-D(*CP*AP*TP*TP*CP*GP*AP*GP*TP*CP*AP*GP*G)-3'), DNA (5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*(DDG))-3'), DNA polymerase, ... | | Authors: | Wang, W, Beese, L.S. | | Deposit date: | 2012-05-17 | | Release date: | 2013-08-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Structures of a High-fidelity DNA Polymerase
to be published
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1M0P
 | | Structure of Dialkylglycine Decarboxylase Complexed with 1-Amino-1-phenylethanephosphonate | | Descriptor: | (1R)-1-[((1E)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYLENE)AMINO]-1-PHENYLETHYLPHOSPHONIC ACID, 2,2-Dialkylglycine Decarboxylase, POTASSIUM ION, ... | | Authors: | Liu, W, Rogers, C.J, Fisher, A.J, Toney, M.D. | | Deposit date: | 2002-06-13 | | Release date: | 2002-10-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Aminophosphonate Inhibitors of Dialkylglycine Decarboxylase: Structural Basis for Slow Binding Inhibition
Biochemistry, 41, 2002
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1M0Q
 | | Structure of Dialkylglycine Decarboxylase Complexed with S-1-aminoethanephosphonate | | Descriptor: | (1S)-1-[((1E)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYLENE)AMINO]ETHYLPHOSPHONIC ACID, 2,2-Dialkylglycine Decarboxylase, POTASSIUM ION, ... | | Authors: | Liu, W, Rogers, C.J, Fisher, A.J, Toney, M.D. | | Deposit date: | 2002-06-13 | | Release date: | 2002-10-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Aminophosphonate Inhibitors of Dialkylglycine Decarboxylase: Structural Basis for Slow Binding Inhibition
Biochemistry, 41, 2002
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1M60
 | | Solution Structure of Zinc-substituted cytochrome c | | Descriptor: | ZINC SUBSTITUTED HEME C, Zinc-substituted cytochrome c | | Authors: | Qian, C, Yao, Y, Tong, Y, Wang, J, Tang, W. | | Deposit date: | 2002-07-11 | | Release date: | 2002-08-07 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Structural analysis of zinc-substituted cytochrome c.
J.Biol.Inorg.Chem., 8, 2003
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1M6T
 | | CRYSTAL STRUCTURE OF B562RIL, A REDESIGNED FOUR HELIX BUNDLE | | Descriptor: | SULFATE ION, Soluble cytochrome b562 | | Authors: | Chu, R, Takei, J, Knowlton, J.R, Andrykovitch, M, Pei, W, Kajava, A.V, Steinbach, P.J, Ji, X, Bai, Y. | | Deposit date: | 2002-07-17 | | Release date: | 2002-11-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Redesign of a Four-Helix Bundle Protein by Phage Display Coupled with Proteolysis
and Structural Characterization by NMR and X-ray Crystallography
J.Mol.Biol., 323, 2002
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