7AS0
 
 | | Influenza A PB2 in complex with VX-787 | | Descriptor: | (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, BROMIDE ION, Polymerase basic protein 2 | | Authors: | Radilova, K, Brynda, J. | | Deposit date: | 2020-10-26 | | Release date: | 2021-02-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural and Thermodynamic Analysis of the Resistance Development to Pimodivir (VX-787), the Clinical Inhibitor of Cap Binding to PB2 Subunit of Influenza A Polymerase.
Molecules, 26, 2021
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7AS1
 | | Influenza A PB2 (F404Y mutation) in complex with VX-787 | | Descriptor: | (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, CHLORIDE ION, Polymerase basic protein 2 | | Authors: | Radilova, K, Brynda, J. | | Deposit date: | 2020-10-26 | | Release date: | 2021-02-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and Thermodynamic Analysis of the Resistance Development to Pimodivir (VX-787), the Clinical Inhibitor of Cap Binding to PB2 Subunit of Influenza A Polymerase.
Molecules, 26, 2021
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7AS2
 | | Influenza A PB2 (M431 mutation) in complex with VX-787 | | Descriptor: | (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, Polymerase basic protein 2 | | Authors: | Radilova, K, Brynda, J. | | Deposit date: | 2020-10-26 | | Release date: | 2021-02-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural and Thermodynamic Analysis of the Resistance Development to Pimodivir (VX-787), the Clinical Inhibitor of Cap Binding to PB2 Subunit of Influenza A Polymerase.
Molecules, 26, 2021
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7AS3
 | | Influenza A PB2 (H357N mutation) in complex with VX-787 | | Descriptor: | (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, Polymerase basic protein 2 | | Authors: | Radilova, K, Brynda, J. | | Deposit date: | 2020-10-26 | | Release date: | 2021-02-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural and Thermodynamic Analysis of the Resistance Development to Pimodivir (VX-787), the Clinical Inhibitor of Cap Binding to PB2 Subunit of Influenza A Polymerase.
Molecules, 26, 2021
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8FBC
 | | Crystal structure of P450T2 | | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Pereira, J.H, Huang, J, Keasling, J, Adams, P.D. | | Deposit date: | 2022-11-29 | | Release date: | 2023-05-10 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Complete integration of carbene-transfer chemistry into biosynthesis.
Nature, 617, 2023
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1PUN
 | | Solution Structure of the MutT Pyrophosphohydrolase Complexed with Mg(2+) and 8-oxo-dGMP, a Tightly-bound Product | | Descriptor: | 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, Mutator mutT protein | | Authors: | Massiah, M.A, Saraswat, V, Azurmendi, H.F, Mildvan, A.S. | | Deposit date: | 2003-06-25 | | Release date: | 2003-08-26 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure and NH exchange studies of the MutT pyrophosphohydrolase complexed with Mg(2+) and 8-oxo-dGMP, a tightly bound product.
Biochemistry, 42, 2003
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1PUS
 | | Solution Structure of the MutT Pyrophosphohydrolase Complexed with Mg(2+) and 8-oxo-dGMP, a Tightly-bound Product | | Descriptor: | 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, Mutator mutT protein | | Authors: | Massiah, M.A, Saraswat, V, Azurmendi, H.F, Mildvan, A.S. | | Deposit date: | 2003-06-25 | | Release date: | 2003-08-26 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure and NH exchange studies of the MutT pyrophosphohydrolase complexed with Mg(2+) and 8-oxo-dGMP, a tightly bound product.
Biochemistry, 42, 2003
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1PUQ
 | | Solution Structure of the MutT Pyrophosphohydrolase Complexed with Mg(2+) and 8-oxo-dGMP, a Tightly-bound Product | | Descriptor: | 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, Mutator mutT protein | | Authors: | Massiah, M.A, Saraswat, V, Azurmendi, H.F, Mildvan, A.S. | | Deposit date: | 2003-06-25 | | Release date: | 2003-08-26 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure and NH exchange studies of the MutT pyrophosphohydrolase complexed with Mg(2+) and 8-oxo-dGMP, a tightly bound product.
Biochemistry, 42, 2003
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1PPX
 | | Solution Structure of the MutT Pyrophosphohydrolase Complexed with Mg(2+) and 8-oxo-dGMP, a Tightly-bound Product | | Descriptor: | 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, Mutator mutT protein | | Authors: | Massiah, M.A, Saraswat, V, Azurmendi, H.F, Mildvan, A.S. | | Deposit date: | 2003-06-17 | | Release date: | 2003-08-26 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure and NH exchange studies of the MutT pyrophosphohydrolase complexed with Mg(2+) and 8-oxo-dGMP, a tightly bound product.
Biochemistry, 42, 2003
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6Y6Z
 | | Structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3) in complex with Compound 1 | | Descriptor: | GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI, ~{tert}-butyl ~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]carbamate | | Authors: | Newman, H, Bellini, D, Dowson, C.G. | | Deposit date: | 2020-02-27 | | Release date: | 2020-06-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion.
Chem Sci, 11, 2020
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6Y6O
 | | Structure of mature activin A with small molecule 42 | | Descriptor: | (3~{R})-4-ethyl-3-methyl-3-propyl-1~{H}-1,4-benzodiazepine-2,5-dione, Inhibin beta A chain, SULFATE ION | | Authors: | McLoughlin, J.D, Brear, P.B, Reinhardt, T, Spring, D.R, Hyvonen, M. | | Deposit date: | 2020-02-26 | | Release date: | 2021-02-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion
Chem Sci, 11, 2020
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6Y6N
 | | Structure of mature activin A with small molecule 2 | | Descriptor: | (3~{R})-3,4-dimethyl-3-propyl-1~{H}-1,4-benzodiazepine-2,5-dione, Inhibin beta A chain, SULFATE ION | | Authors: | McLoughlin, J.D, Brear, P.B, Reinhardt, T, Spring, D.R, Hyvonen, M. | | Deposit date: | 2020-02-26 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion
Chem Sci, 11, 2020
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6Y6U
 | | Structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3) in complex with Compound 6 | | Descriptor: | 2-(4-hydroxyphenyl)-~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]ethanamide, GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI | | Authors: | Newman, H, Bellini, D, Dowson, C.G. | | Deposit date: | 2020-02-27 | | Release date: | 2020-06-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion
Chem Sci, 11, 2020
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2KYT
 | | Solution structure of the H-REV107 N-terminal domain | | Descriptor: | Group XVI phospholipase A2 | | Authors: | Ren, X, Xia, B. | | Deposit date: | 2010-06-08 | | Release date: | 2010-11-03 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the N-terminal catalytic domain of human H-REV107--a novel circular permutated NlpC/P60 domain
Febs Lett., 584, 2010
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2LKT
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6ZUS
 | | Crystal structure of the effector Ecp11-1 from Fulvia fulva | | Descriptor: | DI(HYDROXYETHYL)ETHER, Extracellular protein 11-1, GLYCEROL, ... | | Authors: | Lazar, N, Mesarich, C, Petit-Houdenot, Y, Talbi, N, Li de la Sierra-Gallay, I, Zelie, E, Blondeau, K, Gracy, J, Ollivier, B, van de Wouw, A, Balesdent, M.H, Idnurm, A, van Tilbeurgh, H, Fudal, I. | | Deposit date: | 2020-07-23 | | Release date: | 2021-08-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | A new family of structurally conserved fungal effectors displays epistatic interactions with plant resistance proteins.
Plos Pathog., 18, 2022
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6ZUQ
 | | Crystal structure of the effector Ecp11-1 from Fulvia fulva | | Descriptor: | Extracellular protein 11-1, GLYCEROL, ZINC ION | | Authors: | Lazar, N, Mesarich, C, Petit-Houdenot, Y, Talbi, N, Li de la Sierra-Gallay, I, Zelie, E, Blondeau, K, Gracy, J, Ollivier, B, van de Wouw, A, Balesdent, M.H, Idnurm, A, van Tilbeurgh, H, Fudal, I. | | Deposit date: | 2020-07-23 | | Release date: | 2021-08-04 | | Last modified: | 2022-07-27 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | A new family of structurally conserved fungal effectors displays epistatic interactions with plant resistance proteins.
Plos Pathog., 18, 2022
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7AD5
 | | Crystal structure of the effector AvrLm5-9 from Leptosphaeria maculans | | Descriptor: | ACETATE ION, Avirulence protein LmJ1, GLYCEROL, ... | | Authors: | Lazar, N, Mesarich, C, Petit-Houdenot, Y, Talbi, N, Li de la Sierra-Gallay, I, Zelie, E, Blondeau, K, Gracy, J, Ollivier, B, van de Wouw, A, Balesdent, M.H, Idnurm, A, van Tilbeurgh, H, Fudal, I. | | Deposit date: | 2020-09-14 | | Release date: | 2021-10-06 | | Last modified: | 2022-07-27 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | A new family of structurally conserved fungal effectors displays epistatic interactions with plant resistance proteins.
Plos Pathog., 18, 2022
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6XQR
 | | OXA-48 bound by Compound 2.2 | | Descriptor: | Beta-lactamase, CHLORIDE ION, [1,1'-biphenyl]-4,4'-disulfonic acid | | Authors: | Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T. | | Deposit date: | 2020-07-10 | | Release date: | 2021-12-15 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
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7OO5
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7B76
 | | Crystal structure of the effector AvrLm5-9 from Leptosphaeria maculans | | Descriptor: | Avirulence protein LmJ1, IODIDE ION | | Authors: | Lazar, N, Mesarich, C, Petit-Houdenot, Y, Talbi, N, Li de la Sierra-Gallay, I, Zelie, E, Blondeau, K, Gracy, J, Ollivier, B, van de Wouw, A, Balesdent, M.H, Idnurm, A, van Tilbeurgh, H, Fudal, I. | | Deposit date: | 2020-12-09 | | Release date: | 2022-01-12 | | Last modified: | 2023-03-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A new family of structurally conserved fungal effectors displays epistatic interactions with plant resistance proteins.
Plos Pathog., 18, 2022
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6Z0E
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6Z0Y
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6Z0X
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8FGX
 | | Cryo-EM structure of the STAR-0215 Fab in complex with active human plasma kallikrein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Plasma kallikrein light chain, STAR-0215 Heavy chain, ... | | Authors: | Fuller, J.R, Biris, N, Bista, P. | | Deposit date: | 2022-12-13 | | Release date: | 2023-09-06 | | Last modified: | 2023-10-25 | | Method: | ELECTRON MICROSCOPY (2.62 Å) | | Cite: | STAR-0215 is a Novel, Long-Acting Monoclonal Antibody Inhibitor of Plasma Kallikrein for the Potential Treatment of Hereditary Angioedema.
J.Pharmacol.Exp.Ther., 387, 2023
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