4IKR
 
 | | Crystal structure of Type 1 human methionine aminopeptidase in complex with 2-(4-(5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl)piperazin-1-yl)ethanol | | Descriptor: | 2-{4-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]piperazin-1-yl}ethanol, COBALT (II) ION, GLYCEROL, ... | | Authors: | Addlagatta, A, Kishor, C, Arya, T. | | Deposit date: | 2012-12-28 | | Release date: | 2013-12-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Identification, Biochemical and Structural Evaluation of Species-Specific Inhibitors against Type I Methionine Aminopeptidases
J.Med.Chem., 56, 2013
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7LMD
 | | SARS-CoV-2 3CLPro in complex with 2-(benzotriazol-1-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]-N-(3-thienylmethyl)acetamide | | Descriptor: | 2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-pyrazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide, 3C-like proteinase | | Authors: | Goins, C.M, Arya, T, Macdonald, J.D, Stauffer, S.R. | | Deposit date: | 2021-02-05 | | Release date: | 2021-08-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ).
J.Med.Chem., 65, 2022
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7LME
 | | SARS-CoV-2 3CLPro in complex with N-[4-[[2-(benzotriazol-1-yl)acetyl]-(3-thienylmethyl)amino]phenyl]cyclopropanecarboxamide | | Descriptor: | 3C-like proteinase, ~{N}-[4-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-3-ylmethyl)amino]phenyl]cyclopropanecarboxamide | | Authors: | Goins, C.M, Arya, T, Macdonald, J.D, Stauffer, S.R. | | Deposit date: | 2021-02-05 | | Release date: | 2021-08-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ).
J.Med.Chem., 65, 2022
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7LMF
 | | SARS-CoV-2 3CLPro in complex with 2-(benzotriazol-1-yl)-N-[4-(1H-imidazol-4-yl)phenyl]-N-(3-thienylmethyl)acetamide | | Descriptor: | 2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-imidazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide, 3C-like proteinase | | Authors: | Goins, C.M, Arya, T, Macdonald, J.D, Stauffer, S.R. | | Deposit date: | 2021-02-05 | | Release date: | 2021-08-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ).
J.Med.Chem., 65, 2022
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5WII
 | | TraE protein in complex with 2-Chloroisonicotinic Acid | | Descriptor: | 2-chloropyridine-4-carboxylic acid, Conjugal transfer protein | | Authors: | Casu, B, Arya, T, Bessette, B, Baron, C. | | Deposit date: | 2017-07-19 | | Release date: | 2017-11-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Fragment-based screening identifies novel targets for inhibitors of conjugative transfer of antimicrobial resistance by plasmid pKM101.
Sci Rep, 7, 2017
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5WIP
 | | TraE protein in complex with 2-(2-furyl)isonicotinic acid | | Descriptor: | 2-(furan-2-yl)pyridine-4-carboxylic acid, Conjugal transfer protein | | Authors: | Casu, B, Arya, T, Bessette, B, Baron, C. | | Deposit date: | 2017-07-19 | | Release date: | 2017-11-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Fragment-based screening identifies novel targets for inhibitors of conjugative transfer of antimicrobial resistance by plasmid pKM101.
Sci Rep, 7, 2017
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5WIO
 | | TraE protein in complex with 4-(1H-pyrrol-1-yl)pyridine-2-carboxylic acid | | Descriptor: | 4-(1H-pyrrol-1-yl)pyridine-2-carboxylic acid, Conjugal transfer protein | | Authors: | Casu, B, Arya, T, Bessette, B, Baron, C. | | Deposit date: | 2017-07-19 | | Release date: | 2017-11-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Fragment-based screening identifies novel targets for inhibitors of conjugative transfer of antimicrobial resistance by plasmid pKM101.
Sci Rep, 7, 2017
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5WIC
 | | TraE protein in complex with 2-Furoic Acid (FOA) | | Descriptor: | 2-FUROIC ACID, Conjugal transfer protein | | Authors: | Casu, B, Arya, T, Bessette, B, Baron, C. | | Deposit date: | 2017-07-19 | | Release date: | 2017-11-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Fragment-based screening identifies novel targets for inhibitors of conjugative transfer of antimicrobial resistance by plasmid pKM101.
Sci Rep, 7, 2017
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5YR5
 | | Human methionine aminopeptidase type 1b (F309L mutant) in complex with Ovalicin | | Descriptor: | 3,4-DIHYDROXY-2-METHOXY-4-METHYL-3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -OXIRANYL]-CYCLOHEXANONE, COBALT (II) ION, Methionine aminopeptidase 1, ... | | Authors: | Pillalamarri, V, Arya, T, Addlagatta, A. | | Deposit date: | 2017-11-08 | | Release date: | 2018-11-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of natural product ovalicin sensitive type 1 methionine aminopeptidases: molecular and structural basis.
Biochem. J., 476, 2019
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5YR6
 | | Human methionine aminopeptidase type 1b (F309L mutant) in complex with TNP470 | | Descriptor: | (1R,2S,3S,4R)-4-hydroxy-2-methoxy-4-methyl-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexyl (chloroacetyl)carbamate, COBALT (II) ION, Methionine aminopeptidase 1, ... | | Authors: | Pillalamarri, V, Arya, T, Addlagatta, A. | | Deposit date: | 2017-11-08 | | Release date: | 2018-11-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of natural product ovalicin sensitive type 1 methionine aminopeptidases: molecular and structural basis.
Biochem. J., 476, 2019
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5YR7
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