7ORE
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![BU of 7ore by Molmil](/molmil-images/mine/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
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![BU of 4rd1 by Molmil](/molmil-images/mine/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
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![BU of 5kas by Molmil](/molmil-images/mine/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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5K18
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![BU of 5k18 by Molmil](/molmil-images/mine/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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7ONU
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![BU of 7onu by Molmil](/molmil-images/mine/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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4R86
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![BU of 4r86 by Molmil](/molmil-images/mine/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
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![BU of 7p5m by Molmil](/molmil-images/mine/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
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![BU of 4r8d by Molmil](/molmil-images/mine/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
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![BU of 7p5c by Molmil](/molmil-images/mine/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
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![BU of 6fc9 by Molmil](/molmil-images/mine/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
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![BU of 7p54 by Molmil](/molmil-images/mine/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
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![BU of 5ke1 by Molmil](/molmil-images/mine/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
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![BU of 7p5j by Molmil](/molmil-images/mine/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
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![BU of 4qtd by Molmil](/molmil-images/mine/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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![BU of 4qtn by Molmil](/molmil-images/mine/4qtn) | |
5JP5
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![BU of 5jp5 by Molmil](/molmil-images/mine/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
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![BU of 4rco by Molmil](/molmil-images/mine/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
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![BU of 4rd3 by Molmil](/molmil-images/mine/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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7OUG
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![BU of 7oug by Molmil](/molmil-images/mine/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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8AU4
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![BU of 8au4 by Molmil](/molmil-images/mine/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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7OUH
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![BU of 7ouh by Molmil](/molmil-images/mine/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
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![BU of 7ouf by Molmil](/molmil-images/mine/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
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![BU of 3sfp by Molmil](/molmil-images/mine/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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