3BZ0
 
 | | Lactobacillus Casei Thymidylate Synthase Ternary Complex with DUMP and the Phtalimidic Derivative C00 | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione, Thymidylate synthase | | Authors: | Leone, R, Cancian, L, Costi, M.P, Ferrari, S, Luciani, R, Mangani, S. | | Deposit date: | 2008-01-17 | | Release date: | 2009-01-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 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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8G1R
 | | A Vibrio cholerae viral satellite enables efficient horizontal transfer by using an external scaffold to assemble hijacked coat proteins into small capsids | | Descriptor: | Serine protease, major head protein | | Authors: | Subramanian, S, Boyd, C.M, Seed, K.D, Parent, K.N. | | Deposit date: | 2023-02-02 | | Release date: | 2024-01-17 | | Last modified: | 2024-01-24 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | A Vibrio cholerae viral satellite maximizes its spread and inhibits phage by remodeling hijacked phage coat proteins into small capsids.
Elife, 12, 2024
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6NHX
 | | mycobacterial DNA ligase D complexed with ATP and MES | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent DNA ligase | | Authors: | Shuman, S, Unciuleac, M, Goldgur, Y. | | Deposit date: | 2018-12-24 | | Release date: | 2019-02-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structures of ATP-bound DNA ligase D in a closed domain conformation reveal a network of amino acid and metal contacts to the ATP phosphates.
J. Biol. Chem., 294, 2019
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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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6NHZ
 | | mycobacterial DNA ligase D complexed with ATP and Mg | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent DNA ligase, MAGNESIUM ION | | Authors: | Shuman, S, Unciuleac, M, Goldgur, Y. | | Deposit date: | 2018-12-24 | | Release date: | 2019-02-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of ATP-bound DNA ligase D in a closed domain conformation reveal a network of amino acid and metal contacts to the ATP phosphates.
J. Biol. Chem., 294, 2019
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6NTD
 | | Crystal Structure of G12V HRas-GppNHp bound in complex with the engineered RBD variant 12 of CRAF Kinase protein | | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Maisonneuve, P, Kurinov, I, Wiechmann, S, Ernst, A, Sicheri, F. | | Deposit date: | 2019-01-28 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Conformation-specific inhibitors of activated Ras GTPases reveal limited Ras dependency of patient-derived cancer organoids.
J.Biol.Chem., 295, 2020
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6NTC
 | | Crystal Structure of G12V HRas-GppNHp bound in complex with the engineered RBD variant 1 of CRAF Kinase protein | | Descriptor: | GLYCEROL, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Maisonneuve, P, Kurinov, I, Wiechmann, S, Ernst, A, Sicheri, F. | | Deposit date: | 2019-01-28 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Conformation-specific inhibitors of activated Ras GTPases reveal limited Ras dependency of patient-derived cancer organoids.
J.Biol.Chem., 295, 2020
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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
 | | 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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3UTK
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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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7Z3W
 | | Crystal structure of the AAL160 Fab | | Descriptor: | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, AAL160 Fab heavy-chain, AAL160 Fab light-chain | | Authors: | Rondeau, J.M, Lehmann, S. | | Deposit date: | 2022-03-02 | | Release date: | 2023-02-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | "Redirecting an anti-IL-1 beta antibody to bind a new, unrelated and computationally predicted epitope on hIL-17A".
Commun Biol, 6, 2023
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7Z4T
 | | AAL160 FAB IN COMPLEX WITH HUMAN INTERLEUKIN-1 BETA | | Descriptor: | AAL160 Fab heavy-chain, AAL160 light-chain, Interleukin-1 beta | | Authors: | Rondeau, J.M, Lehmann, S. | | Deposit date: | 2022-03-04 | | Release date: | 2023-02-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | "Redirecting an anti-IL-1 beta antibody to bind a new, unrelated and computationally predicted epitope on hIL-17A".
Commun Biol, 6, 2023
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7Z2M
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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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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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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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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