6X5M
 
 | | Crystal structure of a stabilized PAN ENE bimolecular triplex with a GC-clamped polyA tail, in complex with Fab-BL-3,6. | | Descriptor: | Heavy chain Fab Bl-3 6, Light chain Fab BL-3 6, SULFATE ION, ... | | Authors: | Swain, M, Li, M, Wlodawer, A, Le Grice, S.F.J. | | Deposit date: | 2020-05-26 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Dynamic bulge nucleotides in the KSHV PAN ENE triple helix provide a unique binding platform for small molecule ligands.
Nucleic Acids Res., 49, 2021
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4HVP
 | | Structure of complex of synthetic HIV-1 protease with a substrate-based inhibitor at 2.3 Angstroms resolution | | Descriptor: | HIV-1 PROTEASE, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide | | Authors: | Miller, M, Schneider, J, Sathyanarayana, B.K, Toth, M.V, Marshall, G.R, Clawson, L, Selk, L, Kent, S.B.H, Wlodawer, A. | | Deposit date: | 1989-08-08 | | Release date: | 1990-04-15 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of complex of synthetic HIV-1 protease with a substrate-based inhibitor at 2.3 A resolution.
Science, 246, 1989
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7R6A
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7R6B
 | | Crystal structure of mutant R43D/L124D/R125A/C273S of L-Asparaginase I from Yersinia pestis | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, L-asparaginase I | | Authors: | Strzelczyk, P, Wlodawer, A, Lubkowski, J. | | Deposit date: | 2021-06-22 | | Release date: | 2022-07-06 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | The dimeric form of bacterial l-asparaginase YpAI is fully active.
Febs J., 290, 2023
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7R69
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6EX7
 | | Crystal structure of NDM-1 metallo-beta-lactamase in complex with Cd ions and a hydrolyzed beta-lactam ligand - new refinement | | Descriptor: | 1,2-ETHANEDIOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, CADMIUM ION, ... | | Authors: | Kim, Y, Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A, Tesar, C, Jedrzejczak, R, Babnigg, J, Mire, J, Sacchettini, J, Joachimiak, A. | | Deposit date: | 2017-11-07 | | Release date: | 2017-12-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
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3V1R
 | | Crystal structures of the reverse transcriptase-associated ribonuclease H domain of XMRV with inhibitor beta-thujaplicinol | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one, MANGANESE (II) ION, ... | | Authors: | Zhou, D, Wlodawer, A. | | Deposit date: | 2011-12-09 | | Release date: | 2012-03-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structures of the reverse transcriptase-associated ribonuclease H domain of xenotropic murine leukemia-virus related virus.
J.Struct.Biol., 177, 2012
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6DWU
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6DF3
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6DWH
 | | Crystal structure of complex of BBKI and Bovine Trypsin | | Descriptor: | CHLORIDE ION, Cationic trypsin, Kunitz-type inihibitor, ... | | Authors: | Li, M, Wlodawer, A. | | Deposit date: | 2018-06-26 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of the complex of a kallikrein inhibitor from Bauhinia bauhinioides with trypsin and modeling of kallikrein complexes.
Acta Crystallogr D Struct Biol, 75, 2019
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6DWF
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3V1O
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5NBK
 | | NDM-1 metallo-beta-lactamase: a parsimonious interpretation of the diffraction data | | Descriptor: | CHLORIDE ION, HEXAETHYLENE GLYCOL, Metallo-beta-lactamase type 2, ... | | Authors: | Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A. | | Deposit date: | 2017-03-02 | | Release date: | 2018-10-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
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5O9J
 | | Crystal structure of transcription factor IIB Mja mini-intein | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, AMMONIUM ION, ... | | Authors: | Mikula, K.M, Iwai, H, Zhou, D, Wlodawer, A. | | Deposit date: | 2017-06-19 | | Release date: | 2017-11-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis for the Persistence of Homing Endonucleases in Transcription Factor IIB Inteins.
J. Mol. Biol., 429, 2017
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5O2F
 | | Crystal structure of NDM-1 in complex with hydrolyzed ampicillin - new refinement | | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A. | | Deposit date: | 2017-05-20 | | Release date: | 2018-12-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
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3PGA
 | | STRUCTURAL CHARACTERIZATION OF PSEUDOMONAS 7A GLUTAMINASE-ASPARAGINASE | | Descriptor: | GLUTAMINASE-ASPARAGINASE | | Authors: | Lubkowski, J, Wlodawer, A, Ammon, H.L, Copeland, T.D, Swain, A.L. | | Deposit date: | 1994-07-19 | | Release date: | 1994-12-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural characterization of Pseudomonas 7A glutaminase-asparaginase.
Biochemistry, 33, 1994
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5N0I
 | | Crystal structure of NDM-1 in complex with beta-mercaptoethanol - new refinement | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A, King, D.T, Strynadka, N.C.J. | | Deposit date: | 2017-02-03 | | Release date: | 2017-04-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
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5O2E
 | | Crystal structure of NDM-1 in complex with hydrolyzed cefuroxime - new refinement | | Descriptor: | (2R,5S)-5-[(carbamoyloxy)methyl]-2-[(R)-carboxy{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}methyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Metallo-beta-lactamase type 2, SULFATE ION, ... | | Authors: | Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A. | | Deposit date: | 2017-05-20 | | Release date: | 2018-12-26 | | Last modified: | 2023-02-22 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
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6WYY
 | | Crystal structure of Pseudomonas 7A Glutaminase-Asparaginase in complex with L-Glu at pH 6.5 | | Descriptor: | 1,2-ETHANEDIOL, GLUTAMIC ACID, GLYCEROL, ... | | Authors: | Strzelczyk, P, Zhang, D, Wlodawer, A, Lubkowski, J. | | Deposit date: | 2020-05-13 | | Release date: | 2020-10-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Generalized enzymatic mechanism of catalysis by tetrameric L-asparaginases from mesophilic bacteria.
Sci Rep, 10, 2020
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3V1Q
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4O1S
 | | Crystal structure of TvoVMA intein | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SULFATE ION, ... | | Authors: | Aranko, A.S, Oeemig, J.S, Zhou, D, Kajander, T, Wlodawer, A, Iwai, H. | | Deposit date: | 2013-12-16 | | Release date: | 2014-03-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7008 Å) | | Cite: | Structure-based engineering and comparison of novel split inteins for protein ligation.
Mol Biosyst, 10, 2014
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4O1R
 | | Crystal structure of NpuDnaB intein | | Descriptor: | CHLORIDE ION, GLYCEROL, Replicative DNA helicase, ... | | Authors: | Aranko, A.S, Oeemig, J.S, Zhou, D, Kajander, T, Wlodawer, A, Iwai, H. | | Deposit date: | 2013-12-16 | | Release date: | 2014-03-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure-based engineering and comparison of novel split inteins for protein ligation.
Mol Biosyst, 10, 2014
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5W8W
 | | Bacillus cereus Zn-dependent metallo-beta-lactamase at pH 7 - new refinement | | Descriptor: | Metallo-beta-lactamase type 2, SULFATE ION, UNKNOWN ATOM OR ION, ... | | Authors: | Gonzalez, J.M, Shabalin, I.G, Raczynska, J.E, Jaskolski, M, Minor, W, Wlodawer, A, Gonzalez, M.M, Vila, A.J. | | Deposit date: | 2017-06-22 | | Release date: | 2017-07-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
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6WZ6
 | | Complex of mutant (K173M) of Pseudomonas 7A Glutaminase-Asparaginase with L-Glu at pH 5. Covalent acyl-enzyme intermediate | | Descriptor: | 1,2-ETHANEDIOL, GLUTAMIC ACID, Glutaminase-asparaginase | | Authors: | Strzelczyk, P, Zhang, D, Wlodawer, A, Lubkowski, J. | | Deposit date: | 2020-05-13 | | Release date: | 2020-10-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Generalized enzymatic mechanism of catalysis by tetrameric L-asparaginases from mesophilic bacteria.
Sci Rep, 10, 2020
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1NAG
 | | CREVICE-FORMING MUTANTS IN THE RIGID CORE OF BOVINE PANCREATIC TRYPSIN INHIBITOR: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A | | Descriptor: | BOVINE PANCREATIC TRYPSIN INHIBITOR, PHOSPHATE ION | | Authors: | Danishefsky, A.T, Wlodawer, A, Kim, K.-S, Tao, F, Woodward, C. | | Deposit date: | 1992-08-18 | | Release date: | 1993-10-31 | | Last modified: | 2019-08-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crevice-forming mutants in the rigid core of bovine pancreatic trypsin inhibitor: crystal structures of F22A, Y23A, N43G, and F45A.
Protein Sci., 2, 1993
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