4WMC
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![BU of 4wmc by Molmil](/molmil-images/mine/4wmc) | OXA-48 covalent complex with Avibactam inhibitor | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CARBON DIOXIDE | Authors: | Mangani, S, Benvenuti, M, Docquier, J.D. | Deposit date: | 2014-10-08 | Release date: | 2014-12-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular Basis of Selective Inhibition and Slow Reversibility of Avibactam against Class D Carbapenemases: A Structure-Guided Study of OXA-24 and OXA-48. Acs Chem.Biol., 10, 2015
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4WM9
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![BU of 4wm9 by Molmil](/molmil-images/mine/4wm9) | Acinetobacter baumanii OXA-24 complex with Avibactam | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ... | Authors: | Mangani, S, Benvenuti, M, Docquier, J.-D. | Deposit date: | 2014-10-08 | Release date: | 2014-12-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular Basis of Selective Inhibition and Slow Reversibility of Avibactam against Class D Carbapenemases: A Structure-Guided Study of OXA-24 and OXA-48. Acs Chem.Biol., 10, 2015
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7R26
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![BU of 7r26 by Molmil](/molmil-images/mine/7r26) | PI3K delta in complex with SD5 | Descriptor: | 5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Gutmann, S, Rummel, G, Shrestha, B. | Deposit date: | 2022-02-04 | Release date: | 2022-05-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor. J.Med.Chem., 65, 2022
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7AV7
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![BU of 7av7 by Molmil](/molmil-images/mine/7av7) | Crystal structure of S-nitrosylated nitrosoglutathione reductase(GSNOR)from Chlamydomonas reinhardtii, in complex with NAD+ | Descriptor: | CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, S-(hydroxymethyl)glutathione dehydrogenase, ... | Authors: | Fermani, S, Zaffagnini, M, Falini, G, Lemaire, S.D. | Deposit date: | 2020-11-04 | Release date: | 2020-12-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural and functional insights into nitrosoglutathione reductase from Chlamydomonas reinhardtii. Redox Biol, 38, 2020
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7R2B
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![BU of 7r2b by Molmil](/molmil-images/mine/7r2b) | PI3Kdelta in complex with an inhibitor | Descriptor: | (4~{S})-3-[6-[2-azanyl-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Gutmann, S, Rummel, G, Shrestha, B. | Deposit date: | 2022-02-04 | Release date: | 2022-05-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor. J.Med.Chem., 65, 2022
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3N9B
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![BU of 3n9b by Molmil](/molmil-images/mine/3n9b) | Crystal Structure of the P. aeruginosa LigD phosphoesterase domain | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ... | Authors: | Shuman, S, Nair, P, Smith, P. | Deposit date: | 2010-05-28 | Release date: | 2010-08-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structure of bacterial LigD 3'-phosphoesterase unveils a DNA repair superfamily Proc.Natl.Acad.Sci.USA, 107, 2010
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4Z0H
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![BU of 4z0h by Molmil](/molmil-images/mine/4z0h) | X-ray structure of cytoplasmic glyceraldehyde-3-phosphate dehydrogenase (GapC1) complexed with NAD | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase GAPC1, cytosolic, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Fermani, S, Zaffagnini, M, Orru, R, Falini, G, Trost, P. | Deposit date: | 2015-03-26 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Tuning Cysteine Reactivity and Sulfenic Acid Stability by Protein Microenvironment in Glyceraldehyde-3-Phosphate Dehydrogenases of Arabidopsis thaliana. Antioxid. Redox Signal., 24, 2016
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3N9D
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![BU of 3n9d by Molmil](/molmil-images/mine/3n9d) | Monoclinic Structure of P. aeruginosa LigD phosphoesterase domain | Descriptor: | MANGANESE (II) ION, Probable ATP-dependent DNA ligase, SULFATE ION, ... | Authors: | Shuman, S, Nair, P, Smith, P. | Deposit date: | 2010-05-28 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of bacterial LigD 3'-phosphoesterase unveils a DNA repair superfamily Proc.Natl.Acad.Sci.USA, 107, 2010
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6RAN
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![BU of 6ran by Molmil](/molmil-images/mine/6ran) | Heterodimeric ABC exporter TmrAB in inward-facing wide conformation | Descriptor: | Multidrug resistance ABC transporter ATP-binding and permease protein, Nanobody Nb9F10 | Authors: | Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R. | Deposit date: | 2019-04-06 | Release date: | 2019-07-31 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Conformation space of a heterodimeric ABC exporter under turnover conditions. Nature, 571, 2019
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6RAG
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![BU of 6rag by Molmil](/molmil-images/mine/6rag) | Heterodimeric ABC exporter TmrAB in inward-facing wide conformation under turnover conditions | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R. | Deposit date: | 2019-04-06 | Release date: | 2019-07-31 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Conformation space of a heterodimeric ABC exporter under turnover conditions. Nature, 571, 2019
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6RAJ
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![BU of 6raj by Molmil](/molmil-images/mine/6raj) | Heterodimeric ABC exporter TmrAB in vanadate trapped outward-facing open conformation | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ADP ORTHOVANADATE, MAGNESIUM ION, ... | Authors: | Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R. | Deposit date: | 2019-04-06 | Release date: | 2019-07-31 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Conformation space of a heterodimeric ABC exporter under turnover conditions. Nature, 571, 2019
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6RAK
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![BU of 6rak by Molmil](/molmil-images/mine/6rak) | Heterodimeric ABC exporter TmrAB in vanadate trapped outward-facing occluded conformation | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ADP ORTHOVANADATE, MAGNESIUM ION, ... | Authors: | Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R. | Deposit date: | 2019-04-06 | Release date: | 2019-07-31 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Conformation space of a heterodimeric ABC exporter under turnover conditions. Nature, 571, 2019
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6RAI
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![BU of 6rai by Molmil](/molmil-images/mine/6rai) | Heterodimeric ABC exporter TmrAB in ATP-bound outward-facing occluded conformation | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Multidrug resistance ABC transporter ATP-binding and permease protein, ... | Authors: | Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R. | Deposit date: | 2019-04-06 | Release date: | 2019-07-31 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Conformation space of a heterodimeric ABC exporter under turnover conditions. Nature, 571, 2019
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6RAH
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![BU of 6rah by Molmil](/molmil-images/mine/6rah) | Heterodimeric ABC exporter TmrAB in ATP-bound outward-facing open conformation | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Multidrug resistance ABC transporter ATP-binding and permease protein, ... | Authors: | Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R. | Deposit date: | 2019-04-06 | Release date: | 2019-07-31 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Conformation space of a heterodimeric ABC exporter under turnover conditions. Nature, 571, 2019
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6RAM
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![BU of 6ram by Molmil](/molmil-images/mine/6ram) | Heterodimeric ABC exporter TmrAB under turnover conditions in asymmetric unlocked return conformation with wider opened intracellular gate | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R. | Deposit date: | 2019-04-06 | Release date: | 2019-07-31 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Conformation space of a heterodimeric ABC exporter under turnover conditions. Nature, 571, 2019
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6RAF
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![BU of 6raf by Molmil](/molmil-images/mine/6raf) | Heterodimeric ABC exporter TmrAB in inward-facing narrow conformation under turnover conditions | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Anti-vesicular stomatitis virus N VHH, ... | Authors: | Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R. | Deposit date: | 2019-04-06 | Release date: | 2019-07-31 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Conformation space of a heterodimeric ABC exporter under turnover conditions. Nature, 571, 2019
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6RAL
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![BU of 6ral by Molmil](/molmil-images/mine/6ral) | Heterodimeric ABC exporter TmrAB under turnover conditions in asymmetric unlocked return conformation | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R. | Deposit date: | 2019-04-06 | Release date: | 2019-07-31 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Conformation space of a heterodimeric ABC exporter under turnover conditions. Nature, 571, 2019
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3QV1
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![BU of 3qv1 by Molmil](/molmil-images/mine/3qv1) | Crystal structure of the binary complex of photosyntetic A4 glyceraldehyde 3-phosphate dehydrogenase (GAPDH) with cp12-2, both from Arabidopsis thaliana. | Descriptor: | 1,2-ETHANEDIOL, CP12 protein, DI(HYDROXYETHYL)ETHER, ... | Authors: | Thumiger, A, Fermani, S, Falini, G, Marri, L, Sparla, F, Trost, P. | Deposit date: | 2011-02-25 | Release date: | 2012-02-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Conformational Selection and Folding-upon-binding of Intrinsically Disordered Protein CP12 Regulate Photosynthetic Enzymes Assembly. J.Biol.Chem., 287, 2012
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3IJZ
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![BU of 3ijz by Molmil](/molmil-images/mine/3ijz) | Lactobacillus casei Thymidylate Synthase ternary complex with dUMP and Pthalimidic derivative 15C | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(4-acetylphenyl)-4-methyl-1H-isoindole-1,3(2H)-dione, Thymidylate synthase | Authors: | Pozzi, C, Cancian, L, Leone, R, Luciani, R, Ferrari, S, Mangani, S, Costi, M.P. | Deposit date: | 2009-08-05 | Release date: | 2010-08-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening J.Med.Chem., 54, 2011
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3IK0
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![BU of 3ik0 by Molmil](/molmil-images/mine/3ik0) | Lactobacillus casei Thymidylate Synthase in Ternary Complex with dUMP and the Phtalimidic Derivative 7C1 | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzenecarboximidamide, Thymidylate synthase | Authors: | Pozzi, C, Cancian, L, Leone, R, Luciani, R, Ferrari, S, Mangani, S, Costi, M.P. | Deposit date: | 2009-08-05 | Release date: | 2010-08-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening J.Med.Chem., 54, 2011
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4LRR
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![BU of 4lrr by Molmil](/molmil-images/mine/4lrr) | Ternary complex between E. coli thymidylate synthase, dUMP, and F9 | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-oxo-2H-naphtho[1,8-bc]furan-6-yl 4-nitrobenzoate, SULFATE ION, ... | Authors: | Mangani, S, Pozzi, C, Ferrari, S, Costi, M.P. | Deposit date: | 2013-07-20 | Release date: | 2013-11-06 | Last modified: | 2013-12-11 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | 2'-Deoxyuridine 5'-Monophosphate Substrate Displacement in Thymidylate Synthase through 6-Hydroxy-2H-naphtho[1,8-bc]furan-2-one Derivatives. J.Med.Chem., 56, 2013
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3IK1
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![BU of 3ik1 by Molmil](/molmil-images/mine/3ik1) | Lactobacillus casei Thymidylate Synthase in Ternary Complex with dUMP and the Phtalimidic Derivative 20C | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-hydroxy-4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid, Thymidylate synthase | Authors: | Pozzi, C, Cancian, L, Leone, R, Luciani, R, Ferrari, S, Mangani, S, Costi, M.P. | Deposit date: | 2009-08-05 | Release date: | 2010-08-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening J.Med.Chem., 54, 2011
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2KQC
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![BU of 2kqc by Molmil](/molmil-images/mine/2kqc) | Second PBZ domain of human APLF protein | Descriptor: | Aprataxin and PNK-like factor, ZINC ION | Authors: | Neuhaus, D, Eustermann, S, Brockmann, C, Yang, J. | Deposit date: | 2009-11-04 | Release date: | 2010-01-19 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structures of the two PBZ domains from human APLF and their interaction with poly(ADP-ribose). Nat.Struct.Mol.Biol., 17, 2010
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2KQB
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![BU of 2kqb by Molmil](/molmil-images/mine/2kqb) | First PBZ domain of human APLF protein | Descriptor: | Aprataxin and PNK-like factor, ZINC ION | Authors: | Neuhaus, D, Eustermann, S, Brockmann, C, Yang, J. | Deposit date: | 2009-11-04 | Release date: | 2010-01-19 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Solution structures of the two PBZ domains from human APLF and their interaction with poly(ADP-ribose). Nat.Struct.Mol.Biol., 17, 2010
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2KQD
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![BU of 2kqd by Molmil](/molmil-images/mine/2kqd) | First PBZ domain of human APLF protein in complex with ribofuranosyladenosine | Descriptor: | ADENOSINE, Aprataxin and PNK-like factor, ZINC ION, ... | Authors: | Neuhaus, D, Eustermann, S, Brockmann, C, Yang, J. | Deposit date: | 2009-11-04 | Release date: | 2010-01-19 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structures of the two PBZ domains from human APLF and their interaction with poly(ADP-ribose). Nat.Struct.Mol.Biol., 17, 2010
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