7M4D
| DNA Polymerase Lambda, dCTP:At Ca2+ Ground State Ternary Complex | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, ... | Authors: | Jamsen, J.A, Wilson, S.H. | Deposit date: | 2021-03-21 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.817 Å) | Cite: | Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints. Nat Commun, 13, 2022
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7M4I
| DNA Polymerase Lambda, dCTP:At Mn2+ Product State Ternary Complex, 420 min | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*C)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ... | Authors: | Jamsen, J.A, Wilson, S.H. | Deposit date: | 2021-03-21 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.005 Å) | Cite: | Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints. Nat Commun, 13, 2022
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7M48
| DNA Polymerase Lambda, TTP:At Mg2+ Product State Ternary Complex, 960 min | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ... | Authors: | Jamsen, J.A, Wilson, S.H. | Deposit date: | 2021-03-21 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints. Nat Commun, 13, 2022
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7MDC
| Full-length wildtype ClbP inhibited by hexanoyl-D-asparagine boronic acid | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, Beta-lactamase, CHLORIDE ION, ... | Authors: | Velilla, J.A, Volpe, M.R, Gaudet, R. | Deposit date: | 2021-04-03 | Release date: | 2022-09-28 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A small molecule inhibitor prevents gut bacterial genotoxin production. Nat.Chem.Biol., 19, 2023
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7MDE
| Full-length S95A ClbP | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Beta-lactamase, CHLORIDE ION, ... | Authors: | Velilla, J.A, Volpe, M.R, Gaudet, R. | Deposit date: | 2021-04-04 | Release date: | 2022-09-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of colibactin activation by the ClbP peptidase. Nat.Chem.Biol., 19, 2023
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7MDF
| Full-length S95A ClbP bound to N-acyl-D-asparagine analog | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, Beta-lactamase, CHLORIDE ION, ... | Authors: | Velilla, J.A, Volpe, M.R, Gaudet, R. | Deposit date: | 2021-04-04 | Release date: | 2022-09-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of colibactin activation by the ClbP peptidase. Nat.Chem.Biol., 19, 2023
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3SBF
| Crystal structure of the mutant P311A of enolase superfamily member from VIBRIONALES BACTERIUM complexed with Mg and D-Arabinonate | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, D-arabinonic acid, MAGNESIUM ION, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C. | Deposit date: | 2011-06-04 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of the mutant P311A of enolase superfamily member from Vibrionales bacterium complexed with Mg and D-Arabinonate To be Published
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7M4L
| DNA Polymerase Lambda, TTPaS:At Mn2+ Product State Ternary Complex, 60 min | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*(YQS))-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ... | Authors: | Jamsen, J.A, Wilson, S.H. | Deposit date: | 2021-03-21 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints. Nat Commun, 13, 2022
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3SHL
| Crystal structure of Staphylococcal nuclease variant Delta+PHS V74KL25A at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Caro, J.A, Sue, G, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | Deposit date: | 2011-06-16 | Release date: | 2011-06-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Redirection of internal ionizable residues by engineered cavities To be Published
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3SIZ
| Crystal structure of the mutant S127A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Orotidine 5'-phosphate decarboxylase | Authors: | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C. | Deposit date: | 2011-06-20 | Release date: | 2011-06-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.321 Å) | Cite: | Crystal structure of the mutant S127A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP To be Published
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4QOI
| Crystal structure of FMN quinone reductase 2 in complex with melatonin at 1.55A | Descriptor: | FLAVIN MONONUCLEOTIDE, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Serriere, J, Boutin, J.A, Isabet, T, Antoine, M, Ferry, G. | Deposit date: | 2014-06-20 | Release date: | 2015-07-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal structure of FMN quinone reductase 2 in complex with melatonin at 1.55A To be Published
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4QPB
| Catalytic domain of the antimicrobial peptidase lysostaphin from Staphylococcus simulans crystallized in the absence of phosphate | Descriptor: | 1,2-ETHANEDIOL, Lysostaphin, ZINC ION | Authors: | Sabala, I, Jagielska, E, Bardelang, P.T, Czapinska, H, Dahms, S.O, Sharpe, J.A, James, R, Than, M.E, Thomas, N.R, Bochtler, M. | Deposit date: | 2014-06-22 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Crystal structure of the antimicrobial peptidase lysostaphin from Staphylococcus simulans. Febs J., 281, 2014
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7NB5
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4QOG
| Crystal structure of fad quinone reductase 2 in complex with melatonin at 1.4A | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Serriere, J, Boutin, J.A, Isabet, T, Antoine, M, Ferry, G. | Deposit date: | 2014-06-20 | Release date: | 2015-07-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of fad quinone reductase 2 in complex with melatonin at 1.4A To be Published
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3T06
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4QOE
| The value 'crystal structure of fad quinone reductase 2 at 1.45A | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Serriere, J, Boutin, J.A, Isabet, T, Antoine, M, Ferry, G. | Deposit date: | 2014-06-20 | Release date: | 2015-07-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The value 'crystal structure of fad quinone reductase 2 at 1.45A To be Published
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3TCY
| Crystallographic structure of phenylalanine hydroxylase from Chromobacterium violaceum (cPAH) bound to phenylalanine in a site distal to the active site | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, PHENYLALANINE, ... | Authors: | Ronau, J.A, Abu-Omar, M.M, Das, C. | Deposit date: | 2011-08-09 | Release date: | 2012-08-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | An additional substrate binding site in a bacterial phenylalanine hydroxylase. Eur.Biophys.J., 42, 2013
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7MJ0
| LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with adenosine monophosphate AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, Pyridinium-3,5-biscarboxylic acid mononucleotide synthase | Authors: | Chatterjee, S, Rankin, J.A, Lagishetty, S, Hu, J, Hausinger, R.P. | Deposit date: | 2021-04-19 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | The LarB carboxylase/hydrolase forms a transient cysteinyl-pyridine intermediate during nickel-pincer nucleotide cofactor biosynthesis. Proc.Natl.Acad.Sci.USA, 118, 2021
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7M8P
| CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 23 | Descriptor: | 3C-like proteinase, 5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione | Authors: | Deshmukh, M.G, Ippolito, J.A, Zhang, C.H, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2021-03-30 | Release date: | 2021-06-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Structure-guided design of a perampanel-derived pharmacophore targeting the SARS-CoV-2 main protease. Structure, 29, 2021
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7M8N
| CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 16 | Descriptor: | 3C-like proteinase, 5-(3-{3-chloro-5-[(2-methylphenyl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione | Authors: | Deshmukh, M.G, Ippolito, J.A, Zhang, C.H, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2021-03-30 | Release date: | 2021-06-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structure-guided design of a perampanel-derived pharmacophore targeting the SARS-CoV-2 main protease. Structure, 29, 2021
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3SOD
| CHANGES IN CRYSTALLOGRAPHIC STRUCTURE AND THERMOSTABILITY OF A CU,ZN SUPEROXIDE DISMUTASE MUTANT RESULTING FROM THE REMOVAL OF BURIED CYSTEINE | Descriptor: | COPPER (II) ION, COPPER,ZINC SUPEROXIDE DISMUTASE, ZINC ION | Authors: | Mcree, D.E, Redford, S.M, Getzoff, E.D, Lepock, J.R, Hallewell, R.A, Tainer, J.A. | Deposit date: | 1990-06-26 | Release date: | 1993-04-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Changes in crystallographic structure and thermostability of a Cu,Zn superoxide dismutase mutant resulting from the removal of a buried cysteine. J.Biol.Chem., 265, 1990
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7MLS
| X-ray crystal structure of human BRD4(D1) in complex with 2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine (compound 23) | Descriptor: | 1,2-ETHANEDIOL, 2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine, Bromodomain-containing protein 4, ... | Authors: | Cui, H, Johnson, J.A, Zahid, H, Buchholz, C.R, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2021-04-28 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | 4-Methyl-1,2,3-Triazoles as N -Acetyl-Lysine Mimics Afford Potent BET Bromodomain Inhibitors with Improved Selectivity. J.Med.Chem., 64, 2021
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4P3B
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4P3L
| CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM CHROMOHALOBACTER SALEXIGENS DSM 3043 (Csal_2479), TARGET EFI-510085, WITH BOUND GLUCURONATE, SPG P6122 | Descriptor: | CHLORIDE ION, TRAP dicarboxylate transporter, DctP subunit, ... | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-03-09 | Release date: | 2014-04-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
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3SXH
| Crystal structure of Staphylococcal nuclease variant Delta+PHS I92AL103A at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Caro, J.A, Clark, I, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | Deposit date: | 2011-07-14 | Release date: | 2011-07-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of Staphylococcal nuclease variant Delta+PHS I92AL103A at cryogenic temperature To be Published
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