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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3SRX
 | | New Delhi Metallo-beta-Lactamase-1 Complexed with Cd | | Descriptor: | Beta-lactamase NDM-1, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, J, Binkowski, T.A, Mire, J, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2011-07-07 | | Release date: | 2011-07-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | New Delhi Metallo-beta-Lactamase-1 Complexed with Cd
To be Published
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3SBL
 | | Crystal Structure of New Delhi Metal-beta-lactamase-1 from Klebsiella pneumoniae | | Descriptor: | Beta-lactamase NDM-1, CITRIC ACID | | Authors: | Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, J, Binkowski, T.A, Mire, J, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2011-06-05 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structure of Apo- and Monometalated Forms of NDM-1 A Highly Potent Carbapenem-Hydrolyzing Metallo-beta-Lactamase
Plos One, 6, 2011
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4GYQ
 | | Crystal Structure of New Delhi Metallo-beta-Lactamase-1 D223A mutant from Klebsiella pneumoniae | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase NDM-1, MAGNESIUM ION | | Authors: | Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, J, Binkowski, T.A, Mire, J, Sacchettini, J, Joachimiak, A, MCSG, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2012-09-05 | | Release date: | 2012-09-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.351 Å) | | Cite: | Crystal Structure of New Delhi Metallo-beta-Lactamase-1 D223A mutant from Klebsiella pneumoniae
To be Published, 2012
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4HL2
 | | New Delhi Metallo-beta-Lactamase-1 1.05 A structure Complexed with Hydrolyzed Ampicillin | | 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, Beta-lactamase NDM-1, ... | | Authors: | Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, J, Mire, J, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2012-10-15 | | Release date: | 2012-12-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | New Delhi Metallo-beta-Lactamase-1 1.05 A structure Complexed with Hydrolyzed Ampicillin
To be Published
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4HL1
 | | Crystal Structure of New Delhi Metallo-beta-Lactamase-1, Complexed with Cd and Ampicillin | | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase NDM-1, CADMIUM ION, ... | | Authors: | Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, J, Mire, J, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2012-10-15 | | Release date: | 2012-12-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structure of New Delhi Metallo-beta-Lactamase-1, Complexed with Cd and Ampicillin
To be Published
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4GYU
 | | Crystal Structure of New Delhi Metallo-beta-Lactamase-1 A121F mutant from Klebsiella pneumoniae | | Descriptor: | Beta-lactamase NDM-1, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, J, Binkowski, T.A, Mire, J, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2012-09-05 | | Release date: | 2012-09-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.803 Å) | | Cite: | Crystal Structure of New Delhi Metallo-beta-Lactamase-1 A121F mutant from Klebsiella pneumoniae
To be Published, 2012
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4H0D
 | | New Delhi Metallo-beta-Lactamase-1 Complexed with Mn from Klebsiella pneumoniae | | 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, Beta-lactamase NDM-1, ... | | Authors: | Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, J, Binkowski, T.A, Mire, J, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2012-09-07 | | Release date: | 2012-09-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.498 Å) | | Cite: | New Delhi Metallo-beta-Lactamase-1 Complexed with Mn from Klebsiella pneumoniae
To be Published
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4HKY
 | | New Delhi Metallo-beta-Lactamase-1, Complexed with Cd and Faropenem | | Descriptor: | (2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-5-[(2R)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid, (5R,6S)-6-(1-hydroxyethyl)-7-oxo-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, Beta-lactamase NDM-1, ... | | Authors: | Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, J, Mire, J, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2012-10-15 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.004 Å) | | Cite: | New Delhi Metallo-beta-Lactamase-1, Complexed with Cd and Faropenem
To be Published
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2KPL
 | | MAGI-1 PDZ1 / E6CT | | Descriptor: | Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1, Protein E6 | | Authors: | Charbonnier, S, Nomine, Y, Ramirez, J, Luck, K, Stote, R.H, Trave, G, Kieffer, B, Atkinson, R.A. | | Deposit date: | 2009-10-16 | | Release date: | 2010-10-27 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | The structural and dynamic response of MAGI-1 PDZ1 with non-canonical domain boundaries to binding of human papillomavirus (HPV) E6
J.Mol.Biol., 2011
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2KPK
 | | MAGI-1 PDZ1 | | Descriptor: | Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1 | | Authors: | Charbonnier, S, Nomine, Y, Ramirez, J, Luck, K, Stote, R.H, Trave, G, Kieffer, B, Atkinson, R.A. | | Deposit date: | 2009-10-16 | | Release date: | 2010-10-27 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | The structural and dynamic response of MAGI-1 PDZ1 with non-canonical domain boundaries to binding of human papillomavirus (HPV) E6
J.Mol.Biol., 2011
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3RKK
 | | Crystal Structure of New Delhi Metallo-Beta-Lactamase-1 from Klebsiella pneumoniae | | Descriptor: | ACETIC ACID, Beta-lactamase NDM-1, GLYCEROL, ... | | Authors: | Kim, Y, Tesar, C, Jedrzejczak, R, Binkowski, T.A, Babnigg, G, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2011-04-18 | | Release date: | 2011-05-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of Apo- and Monometalated Forms of NDM-1 A Highly Potent Carbapenem-Hydrolyzing Metallo-beta-Lactamase
Plos One, 6, 2011
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3RKJ
 | | Crystal Structure of New Delhi Metallo-Beta-Lactamase-1 from Klebsiella pnueumoniae | | Descriptor: | Beta-lactamase NDM-1, GLYCEROL, SULFATE ION | | Authors: | Kim, Y, Tesar, C, Jedrzejczak, R, Binkowski, T.A, Babnigg, G, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2011-04-18 | | Release date: | 2011-05-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of Apo- and Monometalated Forms of NDM-1 A Highly Potent Carbapenem-Hydrolyzing Metallo-beta-Lactamase
Plos One, 6, 2011
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3SFP
 | | Crystal Structure of the Mono-Zinc-boundform of New Delhi Metallo-beta-Lactamase-1 from Klebsiella pneumoniae | | Descriptor: | Beta-lactamase NDM-1, CHLORIDE ION, CITRIC ACID, ... | | Authors: | Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, J, Binkowski, T.A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2011-06-13 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Structure of Apo- and Monometalated Forms of NDM-1 A Highly Potent Carbapenem-Hydrolyzing Metallo-beta-Lactamase
Plos One, 6, 2011
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6UWA
 | | Mouse PKC C1B and C2 domains | | Descriptor: | CITRIC ACID, LEAD (II) ION, Protein kinase C, ... | | Authors: | Aggarwal, A, Mire, J, Sacchettini, J.C, Igumenova, T. | | Deposit date: | 2019-11-04 | | Release date: | 2020-12-09 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Mouse PKC C1B and C2 domains
To Be Published
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3K3I
 | | p38alpha bound to novel DGF-out compound PF-00215955 | | Descriptor: | (3S)-3-[4-(4-bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14 | | Authors: | Kazmirski, S.L, DiNitto, J.P. | | Deposit date: | 2009-10-02 | | Release date: | 2009-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The design, synthesis and potential utility of fluorescence probes that target DFG-out conformation of p38alpha for high throughput screening binding assay.
Chem.Biol.Drug Des., 74, 2009
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7UWI
 | | Structure of beta-catenin in complex with FP01567, a Helicon Polypeptide | | Descriptor: | Catenin beta-1, GLYCEROL, Helicon Polypeptide FP01567, ... | | Authors: | Brennan, M, Agarwal, S, Thomson, T, Wahl, S, Ramirez, J, Verdine, G, McGee, J. | | Deposit date: | 2022-05-03 | | Release date: | 2022-12-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7UWO
 | | Structure of beta-catenin in complex with FP05874, a Helicon Polypeptide | | Descriptor: | Catenin beta-1, Helicon Polypeptide FP05874, N,N'-(1,4-phenylene)diacetamide | | Authors: | Agarwal, S, Thomson, T, Wahl, S, Ramirez, J, Hriniak, B, Verdine, G, McGee, J. | | Deposit date: | 2022-05-03 | | Release date: | 2022-12-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
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3K3J
 | | P38alpha bound to novel DFG-out compound PF-00416121 | | Descriptor: | 2-(4-fluorophenyl)-3-oxo-6-pyridin-4-yl-N-[2-(trifluoromethyl)benzyl]-2,3-dihydropyridazine-4-carboxamide, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14 | | Authors: | Kazmirski, S.L, DiNitto, J.P. | | Deposit date: | 2009-10-02 | | Release date: | 2009-11-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.995 Å) | | Cite: | The Design, Synthesis and Potential Utility of Fluorescence Probes that Target DFG-out Conformation of p38alpha for High Throughput Screening Binding Assay.
Chem.Biol.Drug Des., 74, 2009
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4XR8
 | | Crystal structure of the HPV16 E6/E6AP/p53 ternary complex at 2.25 A resolution | | Descriptor: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Martinez-Zapien, D, Ruiz, F.X, Mitschler, A, Podjarny, A, Trave, G, Zanier, K. | | Deposit date: | 2015-01-20 | | Release date: | 2016-02-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure of the E6/E6AP/p53 complex required for HPV-mediated degradation of p53.
Nature, 529, 2016
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7Q52
 | | Crystal structure of S/T protein kinase PknG from Mycobacterium tuberculosis in complex with inhibitor L2W | | Descriptor: | 2-azanyl-3-(4-fluorophenyl)carbonyl-indolizine-1-carboxamide, FE (III) ION, SODIUM ION, ... | | Authors: | Defelipe, L.A, Burastero, O, Bento, I, Garcia-Alai, M.M. | | Deposit date: | 2021-11-02 | | Release date: | 2022-06-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Cosolvent Sites-Based Discovery of Mycobacterium Tuberculosis Protein Kinase G Inhibitors.
J.Med.Chem., 65, 2022
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