2BVC
 
 | | Crystal structure of Mycobacterium tuberculosis glutamine synthetase in complex with a transition state mimic | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLUTAMINE SYNTHETASE 1, ... | | Authors: | Krajewski, W.W, Jones, T.A, Mowbray, S.L. | | Deposit date: | 2005-06-23 | | Release date: | 2005-07-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with a Transition-State Mimic Provides Functional Insights.
Proc.Natl.Acad.Sci.USA, 102, 2005
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5NGF
 | | Crystal structure of USP7 in complex with the covalent inhibitor, FT827 | | Descriptor: | 1,2-ETHANEDIOL, Ubiquitin carboxyl-terminal hydrolase 7, ~{N}-[2-[4-[4-[(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]-4-oxidanyl-piperidin-1-yl]carbonylphenyl]phenyl]ethanesulfonamide | | Authors: | Krajewski, W.W, Turnbull, A.P, Ioannidis, S, Kessler, B.M, Komander, D. | | Deposit date: | 2017-03-17 | | Release date: | 2017-10-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Molecular basis of USP7 inhibition by selective small-molecule inhibitors.
Nature, 550, 2017
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7ZUS
 | | Crystal structure of ternary complex of Pol theta polymerase domain | | Descriptor: | 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*(DDG))-3'), DNA (5'-D(P*TP*TP*CP*CP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*C)-3'), ... | | Authors: | Krajewski, W.W, Turnbull, A.P, Willis, S, Charles, M, Stockley, M, Heald, R.A. | | Deposit date: | 2022-05-13 | | Release date: | 2022-10-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Discovery, Characterization, and Structure-Based Optimization of Small-Molecule In Vitro and In Vivo Probes for Human DNA Polymerase Theta.
J.Med.Chem., 65, 2022
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7ZX1
 | | Crystal structure of Pol theta polymerase domain in complex with compound 22 | | Descriptor: | (2~{S},3~{R})-1-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]-~{N}-methyl-~{N}-(3-methylphenyl)-3-oxidanyl-pyrrolidine-2-carboxamide, 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*(DDG))-3'), ... | | Authors: | Krajewski, W.W, Turnbull, A.P, Willis, S, Charles, M, Stockley, M, Heald, R.A. | | Deposit date: | 2022-05-19 | | Release date: | 2022-10-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.829 Å) | | Cite: | Discovery, Characterization, and Structure-Based Optimization of Small-Molecule In Vitro and In Vivo Probes for Human DNA Polymerase Theta.
J.Med.Chem., 65, 2022
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7ZX0
 | | Crystal structure of Pol theta polymerase domain in complex with compound 5 | | Descriptor: | 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, 2-[5-bromanyl-3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]oxy-~{N}-ethyl-~{N}-(3-methylphenyl)ethanamide, DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*(DDG))-3'), ... | | Authors: | Krajewski, W.W, Turnbull, A.P, Willis, S, Charles, M, Stockley, M, Heald, R.A. | | Deposit date: | 2022-05-19 | | Release date: | 2022-10-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Discovery, Characterization, and Structure-Based Optimization of Small-Molecule In Vitro and In Vivo Probes for Human DNA Polymerase Theta.
J.Med.Chem., 65, 2022
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2UU7
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4CEH
 | | Crystal structure of AddAB with a forked DNA substrate | | Descriptor: | ATP-DEPENDENT HELICASE/DEOXYRIBONUCLEASE SUBUNIT B, ATP-DEPENDENT HELICASE/NUCLEASE SUBUNIT A, DNA, ... | | Authors: | Krajewski, W.W, Wilkinson, M, Fu, X, Cronin, N.B, Wigley, D. | | Deposit date: | 2013-11-11 | | Release date: | 2014-03-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.24 Å) | | Cite: | Structural Basis for Translocation by Addab Helicase-Nuclease and its Arrest at Chi Sites.
Nature, 508, 2014
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4CEI
 | | Crystal structure of ADPNP-bound AddAB with a forked DNA substrate | | Descriptor: | ATP-DEPENDENT HELICASE/DEOXYRIBONUCLEASE SUBUNIT B, ATP-DEPENDENT HELICASE/NUCLEASE SUBUNIT A, DNA, ... | | Authors: | Krajewski, W.W, Wilkinson, M, Fu, X, Cronin, N.B, Wigley, D. | | Deposit date: | 2013-11-11 | | Release date: | 2014-03-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Basis for Translocation by Addab Helicase-Nuclease and its Arrest at Chi Sites.
Nature, 508, 2014
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4CEJ
 | | Crystal structure of AddAB-DNA-ADPNP complex at 3 Angstrom resolution | | Descriptor: | ATP-DEPENDENT HELICASE/DEOXYRIBONUCLEASE SUBUNIT B, ATP-DEPENDENT HELICASE/NUCLEASE SUBUNIT A, DNA, ... | | Authors: | Krajewski, W.W, Wilkinson, M, Fu, X, Cronin, N.B, Wigley, D. | | Deposit date: | 2013-11-11 | | Release date: | 2014-03-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Basis for Translocation by Addab Helicase-Nuclease and its Arrest at Chi Sites.
Nature, 508, 2014
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5NGE
 | | Crystal structure of USP7 in complex with the non-covalent inhibitor, FT671 | | Descriptor: | 5-[[1-[(3~{S})-4,4-bis(fluoranyl)-3-(3-fluoranylpyrazol-1-yl)butanoyl]-4-oxidanyl-piperidin-4-yl]methyl]-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-one, Ubiquitin carboxyl-terminal hydrolase 7 | | Authors: | Turnbull, A.P, Krajewski, W.W, Ioannidis, S, Kessler, B.M, Komander, D. | | Deposit date: | 2017-03-17 | | Release date: | 2017-10-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Molecular basis of USP7 inhibition by selective small-molecule inhibitors.
Nature, 550, 2017
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3U44
 | | Crystal structure of AddAB-DNA complex | | Descriptor: | ATP-dependent helicase/deoxyribonuclease subunit B, ATP-dependent helicase/nuclease subunit A, DNA (36-MER), ... | | Authors: | Saikrishnan, K, Krajewski, W, Wigley, D. | | Deposit date: | 2011-10-07 | | Release date: | 2012-03-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.201 Å) | | Cite: | Insights into Chi recognition from the structure of an AddAB-type helicase-nuclease complex.
Embo J., 31, 2012
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3U4Q
 | | Structure of AddAB-DNA complex at 2.8 angstroms | | Descriptor: | 1,2-ETHANEDIOL, ATP-dependent helicase/deoxyribonuclease subunit B, ATP-dependent helicase/nuclease subunit A, ... | | Authors: | Saikrishnan, K, Krajewski, W, Wigley, D. | | Deposit date: | 2011-10-10 | | Release date: | 2012-03-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Insights into Chi recognition from the structure of an AddAB-type helicase-nuclease complex.
Embo J., 31, 2012
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2WGS
 | | Crystal structure of Mycobacterium Tuberculosis Glutamine Synthetase in complex with a purine analogue inhibitor. | | Descriptor: | 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione, CHLORIDE ION, GLUTAMINE SYNTHETASE 1 | | Authors: | Nilsson, M.T, Krajewski, W.W, Jones, T.A, Mowbray, S.L. | | Deposit date: | 2009-04-27 | | Release date: | 2009-09-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural Basis for the Inhibition of Mycobacterium Tuberculosis Glutamine Synthetase by Novel ATP-Competitive Inhibitors.
J.Mol.Biol., 393, 2009
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2WHI
 | | Crystal structure of Mycobacterium Tuberculosis Glutamine Synthetase in complex with a purine analogue inhibitor and L-methionine-S- sulfoximine phosphate. | | Descriptor: | 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione, CHLORIDE ION, GLUTAMINE SYNTHETASE 1, ... | | Authors: | Nilsson, M.T, Krajewski, W.W, Jones, T.A, Mowbray, S.L. | | Deposit date: | 2009-05-05 | | Release date: | 2009-09-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis for the Inhibition of Mycobacterium Tuberculosis Glutamine Synthetase by Novel ATP-Competitive Inhibitors.
J.Mol.Biol., 393, 2009
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1X6J
 | | Crystal structure of ygfY from Escherichia coli | | Descriptor: | Hypothetical protein ygfY | | Authors: | Lim, K, Doseeva, V, Sarikaya Demirkan, E, Pullalarevu, S, Krajewski, W, Galkin, A, Howard, A, Herzberg, O, Structure 2 Function Project (S2F) | | Deposit date: | 2004-08-11 | | Release date: | 2005-02-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the YgfY from Escherichia coli, a protein that may be involved in transcriptional regulation
Proteins, 58, 2005
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1X6I
 | | Crystal structure of ygfY from Escherichia coli | | Descriptor: | Hypothetical protein ygfY | | Authors: | Lim, K, Doseeva, V, Sarikaya Demirkan, E, Pullalarevu, S, Krajewski, W, Galkin, A, Howard, A, Herzberg, O, Structure 2 Function Project (S2F) | | Deposit date: | 2004-08-11 | | Release date: | 2005-02-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal structure of the YgfY from Escherichia coli, a protein that may be involved in transcriptional regulation
Proteins, 58, 2005
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1JN1
 | | Structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Haemophilus influenzae (HI0671) | | Descriptor: | 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNTHASE, COBALT (II) ION, SULFATE ION | | Authors: | Lehmann, C, Lim, K, Toedt, J, Krajewski, W, Howard, A, Eisenstein, E, Herzberg, O, Structure 2 Function Project (S2F) | | Deposit date: | 2001-07-21 | | Release date: | 2002-08-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure of 2C-methyl-D-erythrol-2,4-cyclodiphosphate synthase from Haemophilus influenzae: activation by conformational transition.
Proteins, 49, 2002
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1J85
 | | Structure of YibK from Haemophilus influenzae (HI0766), a truncated sequence homolog of tRNA (guanosine-2'-O-) methyltransferase (SpoU) | | Descriptor: | YibK | | Authors: | Lim, K, Zhang, H, Toedt, J, Tempcyzk, A, Krajewski, W, Howard, A, Eisenstein, E, Herzberg, O, Structure 2 Function Project (S2F) | | Deposit date: | 2001-05-20 | | Release date: | 2003-02-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the YibK methyltransferase from Haemophilus influenzae
(HI0766): A cofactor bound at a site formed by a knot
Proteins, 51, 2003
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1JO0
 | | Structure of HI1333, a Hypothetical Protein from Haemophilus influenzae with Structural Similarity to RNA-binding Proteins | | Descriptor: | GLYCEROL, HYPOTHETICAL PROTEIN HI1333 | | Authors: | Willis, M.A, Krajewski, W, Chalamasetty, V.R, Reddy, P, Howard, A, Herzberg, O, Structure 2 Function Project (S2F) | | Deposit date: | 2001-07-26 | | Release date: | 2002-11-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Structure of HI1333 (YhbY), a putative RNA-binding protein from Haemophilus influenzae
Proteins, 49, 2002
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1R8G
 | | Structure and function of YbdK | | Descriptor: | Hypothetical protein ybdK | | Authors: | Lehmann, C, Doseeva, V, Pullalarevu, S, Krajewski, W, Howard, A, Herzberg, O, Structure 2 Function Project (S2F) | | Deposit date: | 2003-10-24 | | Release date: | 2004-08-17 | | Last modified: | 2021-07-28 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | YbdK is a carboxylate-amine ligase with a gamma-glutamyl:Cysteine ligase activity: crystal structure and enzymatic assays
PROTEINS: STRUCT.,FUNCT.,GENET., 56, 2004
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1MWW
 | | THE STRUCTURE OF THE HYPOTHETICAL PROTEIN HI1388.1 FROM HAEMOPHILUS INFLUENZAE REVEALS A TAUTOMERASE/MIF FOLD | | Descriptor: | CHLORIDE ION, GLUTAMIC ACID, HYPOTHETICAL PROTEIN HI1388.1 | | Authors: | Lehmann, C, Pullalarevu, S, Krajewski, W, Galkin, A, Howard, A, Herzberg, O, Structure 2 Function Project (S2F) | | Deposit date: | 2002-10-01 | | Release date: | 2003-11-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structure of the Hypothetical Protein HI1388.1 from Haemophilus influenzae
To be Published
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1MWQ
 | | Structure of HI0828, a Hypothetical Protein from Haemophilus influenzae with a Putative Active-Site Phosphohistidine | | Descriptor: | CACODYLATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Willis, M.A, Krajewski, W, Chalamasetty, V.R, Reddy, P, Howard, A, Herzberg, O, Structure 2 Function Project (S2F) | | Deposit date: | 2002-09-30 | | Release date: | 2003-11-25 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Structure of YciI from Haemophilus influenzae (HI0828) reveals a ferredoxin-like alpha/beta-fold with a histidine/aspartate centered catalytic site
Proteins, 59, 2005
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1NU0
 | | Structure of the double mutant (L6M; F134M, SeMet form) of yqgF from Escherichia coli, a hypothetical protein | | Descriptor: | Hypothetical protein yqgF, SULFATE ION | | Authors: | Galkin, A, Sarikaya, E, Krajewski, W, Howard, A, Herzberg, O, Structure 2 Function Project (S2F) | | Deposit date: | 2003-01-30 | | Release date: | 2004-03-02 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of yqgF from Escherichia coli, a hypothetical protein
To be Published
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1NO5
 | | Structure of HI0073 from Haemophilus influenzae, the nucleotide binding domain of the HI0073/HI0074 two protein nucleotidyl transferase. | | Descriptor: | GLYCEROL, Hypothetical protein HI0073, SODIUM ION, ... | | Authors: | Lehmann, C, Pullalarevu, S, Galkin, A, Krajewski, W, Willis, M.A, Howard, A, Herzberg, O, Structure 2 Function Project (S2F) | | Deposit date: | 2003-01-15 | | Release date: | 2004-03-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of HI0073 from Haemophilus influenzae, the nucleotide-binding domain of a two-protein nucleotidyl transferase
Proteins, 60, 2005
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1NMN
 | | Structure of yqgF from Escherichia coli, a hypothetical protein | | Descriptor: | Hypothetical protein yqgF | | Authors: | Galkin, A, Sarikaya, E, Krajewski, W, Howard, A, Herzberg, O, Structure 2 Function Project (S2F) | | Deposit date: | 2003-01-10 | | Release date: | 2004-03-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of yqgF from Escherichia coli, a hypothetical protein
To be Published
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