6DTC
 
 | | Dihydrofolate Reductase (DHFR) of Aspergillus flavus in complex with a small molecule inhibitor | | Descriptor: | (3R)-3-methyl-4-[3-(1H-tetrazol-5-yl)phenoxy]-2,3-dihydrofuro[2,3-f]quinazoline-7,9-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Bensen, D.C, Fortier, J.M, Akers-Rodriguez, S, Tari, L.W. | | Deposit date: | 2018-06-15 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Prospecting for broad-spectrum inhibitors of fungal dihydrofolate reductase using a structure guided approach.
To be published
|
|
2CNS
 | | RimI - Ribosomal S18 N-alpha-protein acetyltransferase in complex with acetylCoA. | | Descriptor: | ACETYL COENZYME *A, MODIFICATION OF 30S RIBOSOMAL SUBUNIT PROTEIN S18, PHOSPHATE ION | | Authors: | Vetting, M.W, Bareich, D.C, Yu, M, Blanchard, J.S. | | Deposit date: | 2006-05-23 | | Release date: | 2007-06-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of Rimi from Salmonella Typhimurium Lt2, the Gnat Responsible for N{Alpha}- Acetylation of Ribosomal Protein S18.
Protein Sci., 17, 2008
|
|
6DRS
 | | Dihydrofolate Reductase (DHFR) of Aspergillus flavus in complex with a small molecule inhibitor | | Descriptor: | 3-{[(3R)-7,9-diamino-3-methyl-2,3-dihydrofuro[2,3-f]quinazolin-4-yl]oxy}benzonitrile, Dihydrofolate reductase, putative, ... | | Authors: | Bensen, D.C, Fortier, J.M, Akers-Rodriguez, S, Tari, L.W. | | Deposit date: | 2018-06-12 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | Prospecting for broad-spectrum inhibitors of fungal dihydrofolate reductase using a structure guided approach.
To Be Published
|
|
2CSE
 | | Features of Reovirus Outer-Capsid Protein mu1 Revealed by Electron and Image Reconstruction of the virion at 7.0-A Resolution | | Descriptor: | Minor core protein lambda 3, Sigma 2 protein, guanylyltransferase, ... | | Authors: | Zhang, X, Ji, Y, Zhang, L, Harrison, S.C, Marinescu, D.C, Nibert, M.L, Baker, T.S. | | Deposit date: | 2005-05-21 | | Release date: | 2005-10-18 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (7 Å) | | Cite: | Features of reovirus outer capsid protein mu1 revealed by electron cryomicroscopy and image reconstruction of the virion at 7.0 Angstrom resolution.
Structure, 13, 2005
|
|
2BOG
 | | Catalytic domain of endo-1,4-glucanase Cel6A mutant Y73S from Thermobifida fusca in complex with methyl cellobiosyl-4-thio-beta- cellobioside | | Descriptor: | ENDOGLUCANASE E-2, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-4-thio-beta-D-glucopyranose-(1-4)-methyl beta-D-glucopyranoside | | Authors: | Larsson, A.M, Bergfors, T, Dultz, E, Irwin, D.C, Roos, A, Driguez, H, Wilson, D.B, Jones, T.A. | | Deposit date: | 2005-04-10 | | Release date: | 2005-10-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Crystal Structure of Thermobifida Fusca Endoglucanase Cel6A in Complex with Substrate and Inhibitor: The Role of Tyrosine Y73 in Substrate Ring Distortion.
Biochemistry, 44, 2005
|
|
2BOD
 | | Catalytic domain of endo-1,4-glucanase Cel6A from Thermobifida fusca in complex with methyl cellobiosyl-4-thio-beta-cellobioside | | Descriptor: | ENDOGLUCANASE E-2, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-4-thio-beta-D-glucopyranose-(1-4)-methyl beta-D-glucopyranoside | | Authors: | Larsson, A.M, Bergfors, T, Dultz, E, Irwin, D.C, Roos, A, Driguez, H, Wilson, D.B, Jones, T.A. | | Deposit date: | 2005-04-10 | | Release date: | 2005-10-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structure of Thermobifida Fusca Endoglucanase Cel6A in Complex with Substrate and Inhibitor: The Role of Tyrosine Y73 in Substrate Ring Distortion.
Biochemistry, 44, 2005
|
|
2BF1
 | | Structure of an unliganded and fully-glycosylated SIV gp120 envelope glycoprotein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Chen, B, Vogan, E.M, Gong, H, Skehel, J.J, Wiley, D.C, Harrison, S.C. | | Deposit date: | 2004-12-02 | | Release date: | 2005-02-17 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Structure of an Unliganded Simian Immunodeficiency Virus Gp120 Core
Nature, 433, 2005
|
|
2C3A
 | | Structure of unliganded HSV gD reveals a mechanism for receptor- mediated activation of virus entry | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCOPROTEIN D, ... | | Authors: | Krummenacher, C, Supekar, V.M, Whitbeck, J.C, Lazear, E, Connolly, S.A, Eisenberg, R.J, Cohen, G.H, Wiley, D.C, Carfi, A. | | Deposit date: | 2005-10-05 | | Release date: | 2005-12-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of Unliganded Hsv Gd Reveals a Mechanism for Receptor-Mediated Activation of Virus Entry.
Embo J., 24, 2005
|
|
6EJC
 | |
6EDA
 | | Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines. | | Descriptor: | 4-hydroxy-3-nitro-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Singh, S, McKenna, R, Supuran, C.T, Nocentini, A, Lomelino, C, Lucarini, E, Bartolucci, G, Mannelli, L.D.C, Ghelardini, C, Gratteri, P. | | Deposit date: | 2018-08-09 | | Release date: | 2018-11-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.879 Å) | | Cite: | 4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.
J. Med. Chem., 61, 2018
|
|
6EE7
 | | Small tetraheme cytochrome c from Shewanella oneidensis | | Descriptor: | HEME C, Periplasmic tetraheme cytochrome c CctA, ZINC ION | | Authors: | Huang, J, Zarzycki, J, Ducat, D.C, Kramer, D.M. | | Deposit date: | 2018-08-13 | | Release date: | 2019-08-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.394 Å) | | Cite: | Mesoscopic to Macroscopic Electron Transfer by Hopping in a Crystal Network of Cytochromes.
J.Am.Chem.Soc., 142, 2020
|
|
6EJD
 | |
6ECZ
 | | Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines. | | Descriptor: | Carbonic anhydrase 2, N-[2-hydroxy-3-nitro-5-(nitrosulfonyl)phenyl]-N'-(pentafluorophenyl)urea, ZINC ION | | Authors: | Singh, S, McKenna, R, Supuran, C.T, Nocentini, A, Lomelino, C, Lucarini, E, Bartolucci, G, Mannelli, L.D.C, Ghelardini, C, Gratteri, P. | | Deposit date: | 2018-08-08 | | Release date: | 2018-11-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | 4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.
J. Med. Chem., 61, 2018
|
|
6EJB
 | |
6EJ7
 | |
6EJA
 | |
6EJ9
 | |
2BF4
 | | A second FMN-binding site in yeast NADPH-cytochrome P450 reductase suggests a novel mechanism of electron transfer by diflavin reductases. | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Podust, L.M, Lepesheva, G.I, Kim, Y, Yermalitskaya, L.V, Yermalitsky, V.N, Lamb, D.C, Kelly, S.L, Waterman, M.R. | | Deposit date: | 2004-12-03 | | Release date: | 2006-01-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A Second Fmn-Binding Site in Yeast Nadph-Cytochrome P450 Reductase Suggests a Mechanism of Electron Transfer by Diflavin Reductases.
Structure, 14, 2006
|
|
2BUE
 | | Structure of AAC(6')-Ib in complex with Ribostamycin and Coenzyme A. | | Descriptor: | AAC(6')-IB, CALCIUM ION, COENZYME A, ... | | Authors: | Vetting, M.W, Park, C.H, Hedge, S.S, Hooper, D.C, Blanchard, J.S. | | Deposit date: | 2008-03-20 | | Release date: | 2008-09-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mechanistic and Structural Analysis of Aminoglycoside N-Acetyltransferase Aac(6')-Ib and its Bifunctional, Fluoroquinolone-Active Aac(6')-Ib-Cr Variant.
Biochemistry, 47, 2008
|
|
2DS2
 | | Crystal structure of mabinlin II | | Descriptor: | ACETIC ACID, Sweet protein mabinlin-2 chain A, Sweet protein mabinlin-2 chain B | | Authors: | Li, D.F, Zhu, D.Y, Wang, D.C. | | Deposit date: | 2006-06-19 | | Release date: | 2007-06-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of Mabinlin II: a novel structural type of sweet proteins and the main structural basis for its sweetness.
J.Struct.Biol., 162, 2008
|
|
6FD8
 | | Gamma-s crystallin dimer | | Descriptor: | Beta-crystallin S | | Authors: | Mabbitt, P.D, Thorn, D.C, Jackson, C.J, Carver, J.A. | | Deposit date: | 2017-12-22 | | Release date: | 2018-12-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Structure and Stability of the Disulfide-Linked gamma S-Crystallin Dimer Provide Insight into Oxidation Products Associated with Lens Cataract Formation.
J. Mol. Biol., 431, 2019
|
|
2BOF
 | | Catalytic domain of endo-1,4-glucanase Cel6A mutant Y73S from Thermobifida fusca in complex with cellotetrose | | Descriptor: | ENDOGLUCANASE E-2, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Larsson, A.M, Bergfors, T, Dultz, E, Irwin, D.C, Roos, A, Driguez, H, Wilson, D.B, Jones, T.A. | | Deposit date: | 2005-04-10 | | Release date: | 2005-10-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal Structure of Thermobifida Fusca Endoglucanase Cel6A in Complex with Substrate and Inhibitor: The Role of Tyrosine Y73 in Substrate Ring Distortion.
Biochemistry, 44, 2005
|
|
2C36
 | | Structure of unliganded HSV gD reveals a mechanism for receptor- mediated activation of virus entry | | Descriptor: | CHLORIDE ION, GLYCOPROTEIN D HSV-1, ZINC ION, ... | | Authors: | Krummenacher, C, Supekar, V.M, Whitbeck, J.C, Lazear, E, Connolly, S.A, Eisenberg, R.J, Cohen, G.H, Wiley, D.C, Carfi, A. | | Deposit date: | 2005-10-04 | | Release date: | 2005-11-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Structure of unliganded HSV gD reveals a mechanism for receptor-mediated activation of virus entry.
EMBO J., 24, 2005
|
|
2BOE
 | | Catalytic domain of endo-1,4-glucanase Cel6A mutant Y73S from Thermobifida fusca | | Descriptor: | ENDOGLUCANASE E-2 | | Authors: | Larsson, A.M, Bergfors, T, Dultz, E, Irwin, D.C, Roos, A, Driguez, H, Wilson, D.B, Jones, T.A. | | Deposit date: | 2005-04-10 | | Release date: | 2005-10-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Crystal Structure of Thermobifida Fusca Endoglucanase Cel6A in Complex with Substrate and Inhibitor: The Role of Tyrosine Y73 in Substrate Ring Distortion.
Biochemistry, 44, 2005
|
|
2CNT
 | | RimI - Ribosomal S18 N-alpha-protein acetyltransferase in complex with CoenzymeA. | | Descriptor: | COENZYME A, GLYCEROL, MODIFICATION OF 30S RIBOSOMAL SUBUNIT PROTEIN S18, ... | | Authors: | Vetting, M.W, Bareich, D.C, Yu, M, Blanchard, J.S. | | Deposit date: | 2006-05-23 | | Release date: | 2007-06-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of Rimi from Salmonella Typhimurium Lt2, the Gnat Responsible for N{Alpha}- Acetylation of Ribosomal Protein S18.
Protein Sci., 17, 2008
|
|
