7ORE
 
 | | Crystal structure of JNK3 in complex with light-activated covalent inhibitor MR-II-249 with both non-covalent and covalent binding modes (compound 4) | | Descriptor: | 1,2-ETHANEDIOL, 4-(dimethylamino)-N-[(5Z)-9-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]-11,12-dihydrobenzo[c][1,2]benzodiazocin-2-yl]butanamide, Mitogen-activated protein kinase 10 | | Authors: | Chaikuad, A, Reynders, M, Trauner, D, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-06-05 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Controlling the Covalent Reactivity of a Kinase Inhibitor with Light.
Angew.Chem.Int.Ed.Engl., 60, 2021
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4RD1
 | | Structure of aIF2-gamma H97A variant from Sulfolobus solfataricus bound to GTP | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Dubiez, E, Aleksandrov, A, Lazennec-Schurdevin, C, Mechulam, Y, Schmitt, E. | | Deposit date: | 2014-09-18 | | Release date: | 2015-05-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2.
Nucleic Acids Res., 43, 2015
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5KA5
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5KAS
 | | Murine acid sphingomyelinase-like phosphodiesterase 3b (SMPDL3B) with phosphocholine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acid sphingomyelinase-like phosphodiesterase 3b, ... | | Authors: | Gorelik, A, Illes, K, Heinz, L.X, Superti-Furga, G, Nagar, B. | | Deposit date: | 2016-06-02 | | Release date: | 2016-10-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.619 Å) | | Cite: | Crystal Structure of the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3B Provides Insights into Determinants of Substrate Specificity.
J.Biol.Chem., 291, 2016
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7ONU
 | | Structure of human mitochondrial RNase P in complex with mitochondrial pre-tRNA-Tyr | | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase type-2, MAGNESIUM ION, Mitochondrial Precursor tRNA-Tyr, ... | | Authors: | Bhatta, A, Dienemann, C, Cramer, P, Hillen, H.S. | | Deposit date: | 2021-05-26 | | Release date: | 2021-08-11 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis of RNA processing by human mitochondrial RNase P.
Nat.Struct.Mol.Biol., 28, 2021
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5K18
 | | The NatB Acetyltransferase Complex Bound To bisubstrate inhibitor | | Descriptor: | Bisubstrate inhibitor, COENZYME A, N-terminal acetyltransferase B complex subunit NAT3, ... | | Authors: | Hong, H, Cai, Y, Zhang, S, Han, A. | | Deposit date: | 2016-05-17 | | Release date: | 2017-04-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Molecular Basis of Substrate Specific Acetylation by N-Terminal Acetyltransferase NatB
Structure, 25, 2017
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4R86
 | | Crystal Structure of Aminoglycoside/Multidrug Efflux System AcrD from Salmonella typhimurium | | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kim, Y, Maltseva, N, Shatsman, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-08-29 | | Release date: | 2014-10-08 | | Last modified: | 2016-10-12 | | Method: | X-RAY DIFFRACTION (3.001 Å) | | Cite: | Crystal Structure of Aminoglycoside/Multidrug Efflux System AcrD from
Salmonella typhimurium
To be Published
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7P5M
 | | Cryo-EM structure of human TTYH2 in lipid nanodiscs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Protein tweety homolog 2 | | Authors: | Sukalskaia, A, Straub, M.S, Sawicka, M, Deneka, D, Dutzler, R. | | Deposit date: | 2021-07-14 | | Release date: | 2021-08-11 | | Last modified: | 2021-09-08 | | Method: | ELECTRON MICROSCOPY (3.92 Å) | | Cite: | Cryo-EM structures of the TTYH family reveal a novel architecture for lipid interactions.
Nat Commun, 12, 2021
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4R8D
 | | Crystal structure of Rv1600 encoded aminotransferase in complex with PLP-MES from Mycobacterium tuberculosis | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Histidinol-phosphate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Nasir, N, Anant, A, Vyas, R, Biswal, B.K. | | Deposit date: | 2014-09-01 | | Release date: | 2015-09-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of Rv1600 encoded aminotransferase in complex with PLP-MES from Mycobacterium tuberculosis
To be Published
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7P5C
 | | Cryo-EM structure of human TTYH3 in Ca2+ and GDN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Protein tweety homolog 3 | | Authors: | Sukalskaia, A, Straub, M.S, Sawicka, M, Deneka, D, Dutzler, R. | | Deposit date: | 2021-07-14 | | Release date: | 2021-08-11 | | Last modified: | 2021-09-08 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structures of the TTYH family reveal a novel architecture for lipid interactions.
Nat Commun, 12, 2021
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2KIK
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6FC9
 | | The 1,8-bis(aminomethyl)anthracene and Quadruplex-duplex junction complex | | Descriptor: | DNA (27-MER), [8-(azaniumylmethyl)anthracen-1-yl]methylazanium | | Authors: | Santana, A, Serrano, I, Montalvillo-Jimenez, L, Corzana, F, Bastida, A, Jimenez-Barbero, J, Gonzalez, C, Asensio, J.L. | | Deposit date: | 2017-12-20 | | Release date: | 2019-04-10 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | De Novo Design of Selective Quadruplex-Duplex Junction Ligands and Structural Characterisation of Their Binding Mode: Targeting the G4 Hot-Spot.
Chemistry, 2020
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7P54
 | | Cryo-EM structure of human TTYH2 in GDN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Protein tweety homolog 2 | | Authors: | Sukalskaia, A, Straub, M.S, Sawicka, M, Deneka, D, Dutzler, R. | | Deposit date: | 2021-07-14 | | Release date: | 2021-08-11 | | Last modified: | 2021-09-08 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structures of the TTYH family reveal a novel architecture for lipid interactions.
Nat Commun, 12, 2021
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5KE1
 | | Structure of a C-terminal fragment of the IcsA/VirG passenger-domain | | Descriptor: | NICKEL (II) ION, Outer membrane protein IcsA autotransporter | | Authors: | Leupold, S, Scrima, A. | | Deposit date: | 2016-06-09 | | Release date: | 2017-03-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural insights into the architecture of the Shigella flexneri virulence factor IcsA/VirG and motifs involved in polar distribution and secretion.
J. Struct. Biol., 198, 2017
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7P5J
 | | Cryo-EM structure of human TTYH1 in GDN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Protein tweety homolog 1 | | Authors: | Sukalskaia, A, Straub, M.S, Sawicka, M, Deneka, D, Dutzler, R. | | Deposit date: | 2021-07-14 | | Release date: | 2021-08-11 | | Last modified: | 2021-09-08 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Cryo-EM structures of the TTYH family reveal a novel architecture for lipid interactions.
Nat Commun, 12, 2021
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4QTD
 | | Structure of human JNK1 in complex with SCH772984 and the AMPPNP-hydrolysed triphosphate revealing the second type-I binding mode | | Descriptor: | (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Chaikuad, A, Keates, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-07-07 | | Release date: | 2014-07-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics.
Nat.Chem.Biol., 10, 2014
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4QTN
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5JP5
 | | Crystal structure of rat Galectin 5 | | Descriptor: | DI(HYDROXYETHYL)ETHER, Galectin-5 | | Authors: | Ruiz, F.M, Romero, A. | | Deposit date: | 2016-05-03 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Characterization of Rat Galectin-5, an N-Tailed Monomeric Proto-Type-like Galectin.
Biomolecules, 11, 2021
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4RCO
 | | 1.9 Angstrom Crystal Structure of Superantigen-like Protein, Exotoxin from Staphylococcus aureus, in Complex with Sialyl-LewisX. | | Descriptor: | CHLORIDE ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-alpha-D-glucopyranose, Putative uncharacterized protein | | Authors: | Minasov, G, Nocadello, S, Shuvalova, L, Filippova, E, Halavaty, A, Dubrovska, I, Flores, K, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-09-16 | | Release date: | 2014-10-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 1.9 Angstrom Crystal Structure of Superantigen-like Protein, Exotoxin from Staphylococcus aureus, in Complex with Sialyl-LewisX.
TO BE PUBLISHED
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4RD3
 | | Structure of aIF2-gamma H97A variant from Sulfolobus solfataricus bound to GDP and Pi | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Dubiez, E, Aleksandrov, A, Lazennec-Schurdevin, C, Mechulam, Y, Schmitt, E. | | Deposit date: | 2014-09-18 | | Release date: | 2015-05-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2.
Nucleic Acids Res., 43, 2015
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8AU4
 | | Structural insights reveal a heterotetramer between oncogenic K-Ras4BG12V and Rgl2, a RalA/B activator | | Descriptor: | Ral guanine nucleotide dissociation stimulator-like 2 | | Authors: | Tariq, M, Ikeya, T, Togashi, N, Fairall, L, Alejo, C.B, Kamei, S, Alonso, B.R, Campillo, M.A.M, Hudson, A, Ito, Y, Schwabe, J, Dominguez, C, Tanaka, K. | | Deposit date: | 2022-08-25 | | Release date: | 2023-08-23 | | Last modified: | 2023-10-25 | | Method: | SOLUTION NMR | | Cite: | Structural insights into the complex of oncogenic KRas4B G12V and Rgl2, a RalA/B activator.
Life Sci Alliance, 7, 2024
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7OUG
 | | STLV-1 intasome:B56 in complex with the strand-transfer inhibitor raltegravir | | Descriptor: | DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), Integrase, ... | | Authors: | Barski, M.S, Ballandras-Colas, A, Cronin, N.B, Pye, V.E, Cherepanov, P, Maertens, G.N. | | Deposit date: | 2021-06-11 | | Release date: | 2021-08-18 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis for the inhibition of HTLV-1 integration inferred from cryo-EM deltaretroviral intasome structures.
Nat Commun, 12, 2021
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7OUH
 | | Structure of the STLV intasome:B56 complex bound to the strand-transfer inhibitor bictegravir | | Descriptor: | Bictegravir, DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), ... | | Authors: | Barski, M.S, Ballandras-Colas, A, Cronin, N.B, Pye, V.E, Cherepanov, P, Maertens, G.N. | | Deposit date: | 2021-06-11 | | Release date: | 2021-08-18 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural basis for the inhibition of HTLV-1 integration inferred from cryo-EM deltaretroviral intasome structures.
Nat Commun, 12, 2021
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7OUF
 | | Structure of the STLV intasome:B56 complex bound to the strand-transfer inhibitor XZ450 | | Descriptor: | 4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[3-(dimethylamino)-3-oxidanylidene-propyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide, DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), ... | | Authors: | Barski, M.S, Ballandras-Colas, A, Cronin, N.B, Pye, V.E, Cherepanov, P, Maertens, G.N. | | Deposit date: | 2021-06-11 | | Release date: | 2021-08-18 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis for the inhibition of HTLV-1 integration inferred from cryo-EM deltaretroviral intasome structures.
Nat Commun, 12, 2021
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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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