1N4O
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1RP5
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![BU of 1rp5 by Molmil](/molmil-images/mine/1rp5) | PBP2x from Streptococcus pneumoniae strain 5259 with reduced susceptibility to beta-lactam antibiotics | Descriptor: | SULFATE ION, penicillin-binding protein 2x | Authors: | Pernot, L, Chesnel, L, Legouellec, A, Croize, J, Vernet, T, Dideberg, O, Dessen, A. | Deposit date: | 2003-12-03 | Release date: | 2004-02-03 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A PBP2x from a clinical isolate of Streptococcus pneumoniae exhibits an alternative mechanism for reduction of susceptibility to beta-lactam antibiotics. J.Biol.Chem., 279, 2004
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3RDP
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![BU of 3rdp by Molmil](/molmil-images/mine/3rdp) | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with N-METHYL-FHBT | Descriptor: | 6-[(2R)-2-(fluoromethyl)-3-hydroxy-propyl]-1,5-dimethyl-pyrimidine-2,4-dione, SULFATE ION, Thymidine kinase | Authors: | Pernot, L, Perozzo, R, Westermaier, Y, Martic, M, Ametamey, S, Scapozza, L. | Deposit date: | 2011-04-01 | Release date: | 2011-08-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Synthesis, crystal structure, and in vitro biological evaluation of C-6 pyrimidine derivatives: new lead structures for monitoring gene expression in vivo. Nucleosides Nucleotides Nucleic Acids, 30, 2011
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4JBX
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![BU of 4jbx by Molmil](/molmil-images/mine/4jbx) | Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with SK-78 | Descriptor: | 1,2-ETHANEDIOL, 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione, SULFATE ION, ... | Authors: | Pernot, L, Novakovic, I, Westermaier, Y, Perozzo, R, Raic-Malic, S, Scapozza, L. | Deposit date: | 2013-02-20 | Release date: | 2013-03-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | New thymine derivatives as HSV1-TK ligand for the development of PET imaging tracer To be Published
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4JBY
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![BU of 4jby by Molmil](/molmil-images/mine/4jby) | Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with F-SK78 | Descriptor: | 1,2-ETHANEDIOL, 6-[(1Z)-3-fluoro-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione, SULFATE ION, ... | Authors: | Pernot, L, Novakovic, I, Westermaier, Y, Perozzo, R, Raic-Malic, S, Scapozza, L. | Deposit date: | 2013-02-20 | Release date: | 2013-03-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | New thymine derivatives as HSV1-TK ligand for the development of PET imaging tracer To be Published
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1H8Z
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![BU of 1h8z by Molmil](/molmil-images/mine/1h8z) | Crystal structure of the class D beta-lactamase OXA-13 | Descriptor: | BETA-LACTAMASE, SULFATE ION | Authors: | Pernot, L, Frenois, F, Rybkine, T, L'Hermite, G, Petrella, S, Delettre, J, Jarlier, V, Collatz, E, Sougakoff, W. | Deposit date: | 2001-02-17 | Release date: | 2001-07-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of the Class D B-Lactamase Oxa-13 in the Native Form and in Complex with Meropenem J.Mol.Biol., 310, 2001
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1H8Y
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![BU of 1h8y by Molmil](/molmil-images/mine/1h8y) | Crystal structure of the class D beta-lactamase OXA-13 in complex with meropenem | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, BETA-LACTAMASE, SULFATE ION | Authors: | Pernot, L, Frenois, F, Rybkine, T, L'Hermite, G, Petrella, S, Delettre, J, Jarlier, V, Collatz, E, Sougakoff, W. | Deposit date: | 2001-02-17 | Release date: | 2001-07-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of the Class D B-Lactamase Oxa-13 in the Native Form and in Complex with Meropenem J.Mol.Biol., 310, 2001
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4IVR
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![BU of 4ivr by Molmil](/molmil-images/mine/4ivr) | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with IN52/10 | Descriptor: | 2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methylidene]propane-1,3-diol, SULFATE ION, Thymidine kinase | Authors: | Pernot, L, Novakovic, I, Westermaier, Y, Perozzo, R, Raic-Malic, S, Scapozza, L. | Deposit date: | 2013-01-23 | Release date: | 2013-02-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | New thymine derivatives as HSV1-TK ligand for the development of PET imaging tracer To be Published
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4IVQ
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![BU of 4ivq by Molmil](/molmil-images/mine/4ivq) | Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with IN43/5 | Descriptor: | 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-4-methoxy-1,5-dimethylpyrimidin-2(1H)-one, SULFATE ION, Thymidine kinase | Authors: | Pernot, L, Novakovic, I, Westermaier, Y, Perozzo, R, Raic-Malic, S, Scapozza, L. | Deposit date: | 2013-01-23 | Release date: | 2013-02-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | New thymine derivatives as HSV1-TK ligand for the development of PET imaging tracer To be Published
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4IVP
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![BU of 4ivp by Molmil](/molmil-images/mine/4ivp) | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with IN51/20 | Descriptor: | 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-5-methylpyrimidine-2,4(1H,3H)-dione, SULFATE ION, Thymidine kinase | Authors: | Pernot, L, Novakovic, I, Westermaier, Y, Perozzo, R, Raic-Malic, S, Scapozza, L. | Deposit date: | 2013-01-23 | Release date: | 2013-02-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | New thymine derivatives as HSV1-TK ligand for the development of PET imaging tracer To be Published
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3F0T
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![BU of 3f0t by Molmil](/molmil-images/mine/3f0t) | Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with N-methyl-DHBT | Descriptor: | N-Methyl-6-(1,3-dihydroxy-isobutyl)thymine, SULFATE ION, Thymidine kinase | Authors: | Pernot, L, Perozzo, R, Westermaier, Y, Martic, M, Ametamey, S, Scapozza, L. | Deposit date: | 2008-10-26 | Release date: | 2009-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Synthesis, crystal structure, and in vitro biological evaluation of C-6 pyrimidine derivatives: new lead structures for monitoring gene expression in vivo. Nucleosides Nucleotides Nucleic Acids, 30, 2011
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1O7E
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3G4O
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3G4N
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4OQM
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![BU of 4oqm by Molmil](/molmil-images/mine/4oqm) | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with F-ARA-EdU | Descriptor: | 1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione, SULFATE ION, Thymidine kinase | Authors: | Pernot, L, Neef, A.B, Westermaier, Y, Perozzo, R, Luedtke, N, Scapozza, L. | Deposit date: | 2014-02-10 | Release date: | 2014-08-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with F-ARA-EdU To be Published
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3BFF
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![BU of 3bff by Molmil](/molmil-images/mine/3bff) | class A beta-lactamase SED-G238C complexed with 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, Class A beta-lactamase Sed1, ... | Authors: | Pernot, L, Petrella, S, Sougakoff, W. | Deposit date: | 2007-11-21 | Release date: | 2007-12-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | acyl-intermediate structures of the class A beta-lactamase SED-G238C To be Published
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3BFC
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![BU of 3bfc by Molmil](/molmil-images/mine/3bfc) | class A beta-lactamase SED-G238C complexed with imipenem | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Class A beta-lactamase Sed1 | Authors: | Pernot, L, Petrella, S, Sougakoff, W. | Deposit date: | 2007-11-21 | Release date: | 2007-12-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Acyl-intermediate structures of the class A beta-lactamase SED-G238C To be Published
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3BFD
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3BFG
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![BU of 3bfg by Molmil](/molmil-images/mine/3bfg) | class A beta-lactamase SED-G238C complexed with meropenem | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Class A beta-lactamase Sed1 | Authors: | Pernot, L, Petrella, S, Sougakoff, W. | Deposit date: | 2007-11-21 | Release date: | 2007-12-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | acyl-intermediate structures of the class A beta-lactamase SED-G238C To be Published
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4OQL
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![BU of 4oql by Molmil](/molmil-images/mine/4oql) | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with dF-EdU | Descriptor: | 2'-deoxy-5-ethynyl-2',2'-difluorouridine, SULFATE ION, Thymidine kinase | Authors: | Pernot, L, Neef, A.B, Westermaier, Y, Perozzo, R, Luedtke, N, Scapozza, L. | Deposit date: | 2014-02-10 | Release date: | 2014-08-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with dF-EdU To be Published
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4OQN
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![BU of 4oqn by Molmil](/molmil-images/mine/4oqn) | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with EdU | Descriptor: | 2'-deoxy-5-ethynyluridine, SULFATE ION, Thymidine kinase | Authors: | Pernot, L, Neef, A.B, Westermaier, Y, Perozzo, R, Luedtke, N.W, Scapozza, L. | Deposit date: | 2014-02-10 | Release date: | 2014-08-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with EdU To be Published
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4OQX
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![BU of 4oqx by Molmil](/molmil-images/mine/4oqx) | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with Me-ARA-EdU | Descriptor: | 1-(2-deoxy-2-methyl-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione, SULFATE ION, Thymidine kinase | Authors: | Pernot, L, Neef, A.B, Westermaier, Y, Perozzo, R, Luedtke, N, Scapozza, L. | Deposit date: | 2014-02-10 | Release date: | 2014-08-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of HSV1-TK complexed with Me-ARA-EdU To be Published
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3BFE
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![BU of 3bfe by Molmil](/molmil-images/mine/3bfe) | |
3C0N
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![BU of 3c0n by Molmil](/molmil-images/mine/3c0n) | Crystal structure of the proaerolysin mutant Y221G at 2.2 A | Descriptor: | Aerolysin | Authors: | Pernot, L, Schiltz, M, Thurnheer, S, Burr, S.E, van der Goot, G. | Deposit date: | 2008-01-21 | Release date: | 2008-02-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular assembly of the aerolysin pore reveals a swirling membrane-insertion mechanism. Nat.Chem.Biol., 9, 2013
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3C0O
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![BU of 3c0o by Molmil](/molmil-images/mine/3c0o) | Crystal structure of the proaerolysin mutant Y221G complexed with mannose-6-phosphate | Descriptor: | 6-O-phosphono-alpha-D-mannopyranose, ACETATE ION, Aerolysin | Authors: | Pernot, L, Schiltz, M, Thurnheer, S, Burr, S.E, van der Goot, G. | Deposit date: | 2008-01-21 | Release date: | 2008-02-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular assembly of the aerolysin pore reveals a swirling membrane-insertion mechanism. Nat.Chem.Biol., 9, 2013
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