1H4Z
 
 | | Structure of the Anti-Sigma Factor Antagonist SpoIIAA in its Unphosphorylated Form | | Descriptor: | ANTI-SIGMA F FACTOR ANTAGONIST | | Authors: | Seavers, P.R, Lewis, R.J, Brannigan, J.A, Verschueren, K.H.G, Murshudov, G.N, Wilkinson, A.J. | | Deposit date: | 2001-05-16 | | Release date: | 2001-07-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Structure of the Bacillus Cell Fate Determinant Spoiiaa in Phosphorylated and Unphosphorylated Forms
Structure, 9, 2001
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3TVW
 | | Crystal Structure of the humanized carboxyltransferase domain of yeast Acetyl-coA caroxylase in complex with compound 4 | | Descriptor: | Acetyl-CoA carboxylase, [4-(2H-chromen-3-ylmethyl)piperazin-1-yl]-[3-(1H-pyrazol-5-yl)phenyl]methanone | | Authors: | Rajamohan, F, Marr, E, Reyes, A, Landro, J.A, Anderson, M.D, Corbett, J.W, Dirico, K.J, Harwood, J.H, Tu, M, Vajdos, F.F. | | Deposit date: | 2011-09-20 | | Release date: | 2011-10-19 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-guided Inhibitor Design for Human Acetyl-coenzyme A Carboxylase by Interspecies Active Site Conversion.
J.Biol.Chem., 286, 2011
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3TNH
 | | CDK9/cyclin T in complex with CAN508 | | Descriptor: | 4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL, Cyclin-T1, Cyclin-dependent kinase 9 | | Authors: | Baumli, S, Hole, A.J, Endicott, J.A. | | Deposit date: | 2011-09-01 | | Release date: | 2012-02-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.202 Å) | | Cite: | The CDK9 C-helix Exhibits Conformational Plasticity That May Explain the Selectivity of CAN508.
Acs Chem.Biol., 7, 2012
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1H4X
 | | Structure of the Bacillus Cell Fate Determinant SpoIIAA in the Phosphorylated Form | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ANTI-SIGMA F FACTOR ANTAGONIST | | Authors: | Seavers, P.R, Lewis, R.J, Brannigan, J.A, Verschueren, K.H.G, Murshudov, G.N, Wilkinson, A.J. | | Deposit date: | 2001-05-15 | | Release date: | 2001-07-06 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Structure of the Bacillus Cell Fate Determinant Spoiiaa in Phosphorylated and Unphosphorylated Forms
Structure, 9, 2001
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3TW9
 | | Crystal structure of gluconate dehydratase (TARGET EFI-501679) from Salmonella enterica subsp. enterica serovar Enteritidis str. P125109 | | Descriptor: | CHLORIDE ION, GLYCEROL, Putative dehydratase | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2011-09-21 | | Release date: | 2011-10-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of Gluconate Dehydratase from Salmonella Enterica P125109
To be Published
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3RUZ
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS V74K at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Caro, J.A, Clark, I, Heroux, A, Schlessman, J.L, Garcia-Moreno E, B. | | Deposit date: | 2011-05-05 | | Release date: | 2011-06-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Internal ionizable residues in proteins
To be Published
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1GUL
 | | HUMAN GLUTATHIONE TRANSFERASE A4-4 COMPLEX WITH IODOBENZYL GLUTATHIONE | | Descriptor: | GAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINE, Glutathione S-transferase A4 | | Authors: | Bruns, C.M, Hubatsch, I, Ridderstrom, M, Mannervik, B, Tainer, J.A. | | Deposit date: | 1998-06-10 | | Release date: | 1999-01-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Human glutathione transferase A4-4 crystal structures and mutagenesis reveal the basis of high catalytic efficiency with toxic lipid peroxidation products
J.Mol.Biol., 288, 1999
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7LUX
 | | AALALL segment from the Nucleoprotein of SARS-CoV-2, residues 217-222, crystal form 2 | | Descriptor: | Nucleoprotein AALALL, TETRAETHYLENE GLYCOL | | Authors: | Lu, J, Zee, C.-T, Sawaya, M.R, Rodriguez, J.A, Eisenberg, D.S. | | Deposit date: | 2021-02-23 | | Release date: | 2021-03-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.303 Å) | | Cite: | Inhibition of amyloid formation of the Nucleoprotein of SARS-CoV-2.
Biorxiv, 2021
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3RUW
 | | Crystal structure of Cpn-rls in complex with ADP-AlFx from Methanococcus maripaludis | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Chaperonin, ... | | Authors: | Pereira, J.H, Ralston, C.Y, Douglas, N.R, Kumar, R, McAndrew, R.P, Knee, K.M, King, J.A, Frydman, J, Adams, P.D. | | Deposit date: | 2011-05-05 | | Release date: | 2012-01-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.702 Å) | | Cite: | Mechanism of nucleotide sensing in group II chaperonins.
Embo J., 31, 2012
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7LTU
 | | AALALL SEGMENT FROM THE NUCLEOPROTEIN OF SARS-COV-2, RESIDUES 217-222, CRYSTAL FORM 1 | | Descriptor: | AALALL SEGMENT FROM THE NUCLEOPROTEIN OF SARS-COV-2,RESIDUES 217-222, trifluoroacetic acid | | Authors: | Zee, C.-T, Sawaya, M.R, Rodriguez, J.A, Eisenberg, D.S. | | Deposit date: | 2021-02-20 | | Release date: | 2021-03-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.122 Å) | | Cite: | Inhibition of amyloid formation of the Nucleoprotein of SARS-CoV-2.
Biorxiv, 2021
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1GTA
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1GTB
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1GWE
 | | Atomic resolution structure of Micrococcus Lysodeikticus catalase | | Descriptor: | Catalase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Murshudov, G.N, Grebenko, A.I, Brannigan, J.A, Antson, A.A, Barynin, V.V, Dodson, G.G, Dauter, Z, Wilson, K.S, Melik-Adamyan, W.R. | | Deposit date: | 2002-03-15 | | Release date: | 2002-04-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (0.88 Å) | | Cite: | The Structures of Micrococcus Lysodeikticus Catalase, its Ferryl Intermediate (Compound II) and Nadph Complex.
Acta Crystallogr.,Sect.D, 58, 2002
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4JIY
 | | RNA three-way junction stabilized by a supramolecular di-iron(II) cylinder drug | | Descriptor: | 5'-(CGUACG)-3', FE (II) ION, N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | | Authors: | Sigel, R.K.O, Schnabl, J.A, Freisinger, E, Spingler, B, Hannon, M.J. | | Deposit date: | 2013-03-07 | | Release date: | 2013-09-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Binding of a designed anti-cancer drug to the central cavity of an RNA three-way junction.
Angew.Chem.Int.Ed.Engl., 52, 2013
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1GWH
 | | Atomic resolution structure of Micrococcus Lysodeikticus catalase complexed with NADPH | | Descriptor: | ACETATE ION, Catalase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Murshudov, G.N, Grebenko, A.I, Brannigan, J.A, Antson, A.A, Barynin, V.V, Dodson, G.G, Dauter, Z, Wilson, K.S, Melik-Adamyan, W.R. | | Deposit date: | 2002-03-15 | | Release date: | 2002-03-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | The Structures of Micrococcus Lysodeikticus Catalase, its Ferryl Intermediate (Compound II) and Nadph Complex.
Acta Crystallogr.,Sect.D, 58, 2002
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1H09
 | | Multimodular Pneumococcal Cell Wall Endolysin from phage Cp-1 | | Descriptor: | LYSOZYME | | Authors: | Hermoso, J.A, Monterroso, B, Albert, A, Garcia, P, Menendez, M, Martinez-Ripoll, M, Garcia, J.L. | | Deposit date: | 2002-06-12 | | Release date: | 2003-06-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis for Selective Recognition of Pneumococcal Cell Wall by Modular Endolysin from Phage Cp-1
Structure, 11, 2003
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3T4F
 | | Crystal Structure of a KGE Collagen Mimetic Peptide at 1.68 A | | Descriptor: | collagen mimetic peptide | | Authors: | Fallas, J.A, Dong, J, Miller, M.D, Tao, Y.J, Hartgerink, J.D. | | Deposit date: | 2011-07-25 | | Release date: | 2011-12-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structural insights into charge pair interactions in triple helical collagen-like proteins.
J.Biol.Chem., 287, 2012
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3TBC
 | | Small laccase from Streptomyces viridosporus T7A; alternate crystal form complexed with acetovanillone. | | Descriptor: | 1-(4-hydroxy-3-methoxyphenyl)ethanone, COPPER (II) ION, OXYGEN MOLECULE, ... | | Authors: | Lukk, T, Majumdar, S, Gerlt, J.A, Nair, S.K. | | Deposit date: | 2011-08-05 | | Release date: | 2012-08-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Roles of small laccases from Streptomyces in lignin degradation.
Biochemistry, 53, 2014
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1H08
 | | CDK2 in complex with a disubstituted 2, 4-bis anilino pyrimidine CDK4 inhibitor | | Descriptor: | (2R)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN-2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN-2-OL, (2S)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN-2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN-2-OL, CELL DIVISION PROTEIN KINASE 2, ... | | Authors: | Breault, G.A, Ellston, R.P.A, Green, S, James, S.R, Jewsbury, P.J, Midgley, C.J, Minshull, C.A, Pauptit, R.A, Tucker, J.A, Pease, J.E. | | Deposit date: | 2002-06-11 | | Release date: | 2003-07-11 | | Last modified: | 2011-10-12 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines
Bioorg.Med.Chem.Lett., 13, 2003
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1BJK
 | | FERREDOXIN:NADP+ REDUCTASE MUTANT WITH ARG 264 REPLACED BY GLU (R264E) | | Descriptor: | FERREDOXIN--NADP+ REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | | Authors: | Hermoso, J.A, Mayoral, T, Medina, M, Martinez-Ripoll, M, Martinez-Julvez, M, Sanz-Aparicio, J, Gomez-Moreno, C. | | Deposit date: | 1998-06-25 | | Release date: | 1998-11-04 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Role of Arg100 and Arg264 from Anabaena PCC 7119 ferredoxin-NADP+ reductase for optimal NADP+ binding and electron transfer.
Biochemistry, 37, 1998
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1GRO
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4DR0
 | | Crystal structure of Bacillus subtilis dimanganese(II) NrdF | | Descriptor: | MANGANESE (II) ION, Ribonucleoside-diphosphate reductase subunit beta, SULFATE ION | | Authors: | Boal, A.K, Cotruvo Jr, J.A, Stubbe, J, Rosenzweig, A.C. | | Deposit date: | 2012-02-16 | | Release date: | 2012-04-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Dimanganese(II) Site of Bacillus subtilis Class Ib Ribonucleotide Reductase.
Biochemistry, 51, 2012
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3T1P
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1H01
 | | CDK2 in complex with a disubstituted 2, 4-bis anilino pyrimidine CDK4 inhibitor | | Descriptor: | (2R)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL, (2S)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL, CYCLIN-DEPENDENT KINASE 2, ... | | Authors: | Breault, G.A, Ellston, R.P.A, Green, S, James, S.R, Jewsbury, P.J, Midgley, C.J, Minshull, C.A, Pauptit, R.A, Tucker, J.A, Pease, J.E. | | Deposit date: | 2002-06-10 | | Release date: | 2003-07-11 | | Last modified: | 2011-10-19 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines
Bioorg.Med.Chem.Lett., 13, 2003
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3SN6
 | | Crystal structure of the beta2 adrenergic receptor-Gs protein complex | | Descriptor: | 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Camelid antibody VHH fragment, Endolysin,Beta-2 adrenergic receptor, ... | | Authors: | Rasmussen, S.G.F, DeVree, B.T, Zou, Y, Kruse, A.C, Chung, K.Y, Kobilka, T.S, Thian, F.S, Chae, P.S, Pardon, E, Calinski, D, Mathiesen, J.M, Shah, S.T.A, Lyons, J.A, Caffrey, M, Gellman, S.H, Steyaert, J, Skiniotis, G, Weis, W.I, Sunahara, R.K, Kobilka, B.K. | | Deposit date: | 2011-06-28 | | Release date: | 2011-07-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structure of the beta2 adrenergic receptor-Gs protein complex
Nature, 477, 2011
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