8SWR
| Structure of K. lactis PNP S42E variant bound to transition state analog DADMe-IMMUCILLIN G and sulfate | Descriptor: | 2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, GUANINE, Purine nucleoside phosphorylase, ... | Authors: | Fedorov, E, Ghosh, A. | Deposit date: | 2023-05-19 | Release date: | 2023-10-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Phosphate Binding in PNP Alters Transition-State Analogue Affinity and Subunit Cooperativity. Biochemistry, 62, 2023
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8SWP
| Structure of K. lactis PNP bound to hypoxanthine | Descriptor: | ACETATE ION, HYPOXANTHINE, Purine nucleoside phosphorylase | Authors: | Fedorov, E, Ghosh, A. | Deposit date: | 2023-05-19 | Release date: | 2023-10-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Phosphate Binding in PNP Alters Transition-State Analogue Affinity and Subunit Cooperativity. Biochemistry, 62, 2023
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8SWQ
| Structure of K. lactis PNP bound to transition state analog DADMe-IMMUCILLIN H and sulfate | Descriptor: | 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, GLYCEROL, Purine nucleoside phosphorylase, ... | Authors: | Fedorov, E, Ghosh, A. | Deposit date: | 2023-05-19 | Release date: | 2023-10-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.979 Å) | Cite: | Phosphate Binding in PNP Alters Transition-State Analogue Affinity and Subunit Cooperativity. Biochemistry, 62, 2023
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8SWT
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8SWU
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7N2W
| The crystal structure of an FMN-dependent NADH-azoreductase, AzoA in complex with Red 40 | Descriptor: | 6-hydroxy-5-[(E)-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid, FLAVIN MONONUCLEOTIDE, FMN dependent NADH:quinone oxidoreductase | Authors: | Arcinas, A.J, Fedorov, E, Kelly, L, Almo, S.C, Ghosh, A. | Deposit date: | 2021-05-30 | Release date: | 2022-06-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Uncovering a novel mechanism of enzyme activation in multimeric azoreductases To Be Published
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7N2X
| The crystal structure of an FMN-dependent NADH:quinone oxidoreductase, AzoR from Escherichia coli | Descriptor: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-AMINO-ACRYLIC ACID, ... | Authors: | Arcinas, A.J, Fedorov, E, Kelly, L, Almo, S.C, Ghosh, A. | Deposit date: | 2021-05-30 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Uncovering a novel mechanism of enzyme activation in multimeric azoreductases To Be Published
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3I7E
| Co-crystal structure of HIV-1 protease bound to a mutant resistant inhibitor UIC-98038 | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE, HIV-1 protease | Authors: | Hong, L, Tang, J, Ghosh, A. | Deposit date: | 2009-07-08 | Release date: | 2009-09-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design, Synthesis, Protein-Ligand X-ray Structure, and Biological Evaluation of a Series of Novel Macrocyclic Human Immunodeficiency Virus-1 Protease Inhibitors to Combat Drug Resistance. J.Med.Chem., 52, 2009
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4ZFQ
| Structure of M. tuberculosis (3,3) L,D-Transpeptidase, LdtMt5. (Meropenen-adduct form) | Descriptor: | (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, DI(HYDROXYETHYL)ETHER, L,D-transpeptidase 5 | Authors: | Basta, L, Ghosh, A, Lamichhane, G, Bianchet, M.A. | Deposit date: | 2015-04-21 | Release date: | 2015-09-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.799 Å) | Cite: | Loss of a Functionally and Structurally Distinct ld-Transpeptidase, LdtMt5, Compromises Cell Wall Integrity in Mycobacterium tuberculosis. J.Biol.Chem., 290, 2015
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4Z7A
| Structural and biochemical characterization of a non-functionally redundant M. tuberculosis (3,3) L,D-Transpeptidase, LdtMt5. | Descriptor: | ACETYL GROUP, DI(HYDROXYETHYL)ETHER, Mycobacterium tuberculosis (3,3)L,D-Transpeptidase type 5, ... | Authors: | Basta, L, Ghosh, A, Pan, Y, Jakoncic, J, Lloyd, E, Townsend, G, Lamichhane, G, Bianchet, M.A. | Deposit date: | 2015-04-06 | Release date: | 2015-09-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Loss of a Functionally and Structurally Distinct ld-Transpeptidase, LdtMt5, Compromises Cell Wall Integrity in Mycobacterium tuberculosis. J.Biol.Chem., 290, 2015
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2FGL
| An alkali thermostable F/10 xylanase from alkalophilic Bacillus sp. NG-27 | Descriptor: | MAGNESIUM ION, alkaline thermostable endoxylanase, alpha-D-xylopyranose, ... | Authors: | Ramakumar, S, Manikandan, K, Bhardwaj, A, Reddy, V.S, Lokanath, N.K, Ghosh, A. | Deposit date: | 2005-12-22 | Release date: | 2006-09-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of native and xylosaccharide-bound alkali thermostable xylanase from an alkalophilic Bacillus sp. NG-27: structural insights into alkalophilicity and implications for adaptation to polyextreme conditions. Protein Sci., 15, 2006
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2F8Q
| An alkali thermostable F/10 xylanase from alkalophilic Bacillus sp. NG-27 | Descriptor: | MAGNESIUM ION, alkaline thermostable endoxylanase | Authors: | Ramakumar, S, Manikandan, K, Bhardwaj, A, Ghosh, A, Reddy, V.S. | Deposit date: | 2005-12-03 | Release date: | 2006-09-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of native and xylosaccharide-bound alkali thermostable xylanase from an alkalophilic Bacillus sp. NG-27: structural insights into alkalophilicity and implications for adaptation to polyextreme conditions. Protein Sci., 15, 2006
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6WGM
| Crystal structure of a marine metagenome TRAP solute binding protein specific for pyroglutamate (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, scf7180008839099) in complex with co-purified pyroglutamate | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, FORMIC ACID, ... | Authors: | Fedorov, E, Vetting, M.W, Hogle, S.L, Dupont, C.L, Almo, S.C, Ghosh, A. | Deposit date: | 2020-04-05 | Release date: | 2020-04-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of a marine metagenome TRAP solute binding protein specific for aromatic acid ligands (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, GOS_140), in complex with co-purified pyroglutamate To Be Published
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5V0N
| BACE1 in complex with inhibitor 5g | Descriptor: | Beta-secretase 1, GLYCEROL, N-{(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-phenylpropan-2-yl}-7-ethyl-1,3,3-trimethyl-2,2-dioxo-1,2,3,4-tetrahydro-2lambda~6~-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide, ... | Authors: | Mesecar, A, Ghosh, A, Yen, Y.-C. | Deposit date: | 2017-02-28 | Release date: | 2017-05-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.155 Å) | Cite: | Design, synthesis, and X-ray structural studies of BACE-1 inhibitors containing substituted 2-oxopiperazines as P1'-P2' ligands. Bioorg. Med. Chem. Lett., 27, 2017
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7L1A
| Human Methionine Adenosyltransferase 2A bound to Methylthioadenosine and inhibitor, di-imido triphosphate (PNPNP) | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, ALANINE, MAGNESIUM ION, ... | Authors: | Niland, C.N, Fedorov, E, Schramm, V.L, Ghosh, A. | Deposit date: | 2020-12-14 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Mechanism and Inhibition of Human Methionine Adenosyltransferase 2A. Biochemistry, 60, 2021
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7JPJ
| Crystal Structure of the essential dimeric LYSA from Phaeodactylum tricornutum | Descriptor: | D-LYSINE, Diaminopimelate decarboxylase, SULFATE ION | Authors: | Fedorov, E, Belinski, V.A, Brunson, J.K, Almo, S.C, Dupont, C.L, Ghosh, A. | Deposit date: | 2020-08-08 | Release date: | 2021-06-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | The Phaeodactylum tricornutum diaminopimelate decarboxylase was acquired via horizontal gene transfer from bacteria and displays substrate promiscuity Biorxiv, 2020
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2XWX
| Vibrio cholerae colonization factor GbpA crystal structure | Descriptor: | GLCNAC-BINDING PROTEIN A | Authors: | Wong, E, Vaaje-Kolstad, G, Ghosh, A, Guerrero, R.H, Konarev, P.V, Ibrahim, A.F.M, Svergun, D.I, Eijsink, V.G.H, Chatterjee, N.S, van Aalten, D.M.F. | Deposit date: | 2010-11-06 | Release date: | 2011-11-16 | Last modified: | 2015-04-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Vibrio Cholerae Colonization Factor Gbpa Possesses a Modular Structure that Governs Binding to Different Host Surfaces. Plos Pathog., 8, 2012
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2KJ5
| Solution NMR structure of a domain from a putative phage integrase protein Nmul_A0064 from Nitrosospira multiformis, Northeast Structural Genomics Consortium Target NmR46C | Descriptor: | Phage integrase | Authors: | Mills, J.L, Eletsky, A, Ghosh, A, Wang, D, Lee, H, Ciccosanti, C, Jiang, M, Nair, R, Rost, B, Swapna, G.V.T, Acton, T.B, Xiao, R, Everett, J.K, Prestegard, J.H, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-05-21 | Release date: | 2009-06-02 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of a domain from a putative phage integrase protein Nmul_A0064 from Nitrosospira multiformis, Northeast Structural Genomics Consortium Target NmR46C. To be Published
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2KPJ
| Solution Structure Of Protein SOS-response transcriptional repressor, LexA From Eubacterium rectale. Northeast Structural Genomics Consortium Target ErR9A | Descriptor: | SOS-response transcriptional repressor, LexA | Authors: | Wu, Y, Eletsky, A, Lee, D, Ghosh, A, Buchwald, W, Zhang, Q, Janjua, H, Garcia, E, Nair, R, Sukumaran, D, Rost, B, Acton, T, Xiao, R, Everett, J, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-10-16 | Release date: | 2009-11-17 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Solution Structure Of Protein SOS-response transcriptional repressor, LexA From Eubacterium rectale. Northeast Structural Genomics Consortium Target ErR9A To be Published
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4JB3
| Crystal structure of BT_0970, a had family phosphatase from bacteroides thetaiotaomicron VPI-5482, TARGET EFI-501083, with bound sodium and glycerol, closed lid, ordered loop | Descriptor: | GLYCEROL, Haloacid dehalogenase-like hydrolase, SODIUM ION | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Kumar, P.R, Ghosh, A, Al Obaidi, N.F, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Dunaway-Mariano, D, Allen, K.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-02-19 | Release date: | 2013-03-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of bt_0970, a had family phosphatase from bacteroides thetaiotaomicron VPI-5482, TARGET EFI-501083, with bound sodium and glycerol, closed lid, ordered loop To be Published
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7RBW
| Structure of Biliverdin-binding Serpin of Boana punctata (polka-dot tree frog) | Descriptor: | BILIVERDINE IX ALPHA, Biliverdin bindin serpin | Authors: | Fedorov, E, Manoilov, K.Y, Verkhusha, V, Almo, S.C, Ghosh, A. | Deposit date: | 2021-07-06 | Release date: | 2021-11-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural and Functional Characterization of a Biliverdin-Binding Near-Infrared Fluorescent Protein From the Serpin Superfamily. J.Mol.Biol., 434, 2021
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7RJR
| Crystal structure of human Bromodomain containing protein 4 (BRD4) in complex with BCLTF1 | Descriptor: | 1,2-ETHANEDIOL, Bcl-2-associated transcription factor 1, Bromodomain-containing protein 4, ... | Authors: | Fedorov, E, Islam, K, Ghosh, A. | Deposit date: | 2021-07-21 | Release date: | 2022-08-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization To Be Published
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7RJO
| Crystal structure of human Bromodomain containing protein 4 (BRD4) in complex with hnRNPK | Descriptor: | ACETATE ION, Bromodomain-containing protein 4, GLYCEROL, ... | Authors: | Fedorov, E, Islam, K, Ghosh, A. | Deposit date: | 2021-07-21 | Release date: | 2022-08-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization Biorxiv, 2021
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7RJQ
| Crystal structure of human Bromodomain containing protein 4 (BRD4) in complex with ILF3 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, CHLORIDE ION, ... | Authors: | Fedorov, E, Islam, K, Ghosh, A. | Deposit date: | 2021-07-21 | Release date: | 2022-08-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization To Be Published
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7RJM
| Crystal structure of human Bromodomain containing protein 3 (BRD3) in complex with ILF3 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 3, Interleukin enhancer-binding factor 3 | Authors: | Fedorov, E, Islam, K, Ghosh, A. | Deposit date: | 2021-07-21 | Release date: | 2022-08-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization Biorxiv, 2021
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