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7P3K
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BU of 7p3k by Molmil
Cryo-EM structure of 70S ribosome stalled with TnaC peptide (control)
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Buschauer, R, Komar, T, Becker, T, Berninghausen, O, Cheng, J, Beckmann, R.
Deposit date:2021-07-08
Release date:2021-10-27
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis of l-tryptophan-dependent inhibition of release factor 2 by the TnaC arrest peptide.
Nucleic Acids Res., 49, 2021
6VZH
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BU of 6vzh by Molmil
Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to LDSM311
Descriptor: (7~{R})-2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7-dimethyl-8-prop-2-ynyl-7~{H}-pteridin-6-one, 1,2-ETHANEDIOL, SULFATE ION, ...
Authors:dos Reis, C.V, Dutra, L.A, Gama, F, Ferreira, M, Mascarello, A, Azevedo, H, Guimaraes, C, Massirer, K.B, Arruda, P, Edwards, A.M, Counago, R.M, Structural Genomics Consortium (SGC)
Deposit date:2020-02-28
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to LDSM311
To be Published
6XHV
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BU of 6xhv by Molmil
Crystal structure of the A2058-dimethylated Thermus thermophilus 70S ribosome in complex with mRNA, aminoacylated A- and P-site tRNAs, and deacylated E-site tRNA at 2.40A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Svetlov, M.S, Syroegin, E.A, Aleksandrova, E.V, Atkinson, G.C, Gregory, S.T, Mankin, A.S, Polikanov, Y.S.
Deposit date:2020-06-19
Release date:2020-12-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of Erm-modified 70S ribosome reveals the mechanism of macrolide resistance.
Nat.Chem.Biol., 17, 2021
6PHX
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BU of 6phx by Molmil
SpAga D472N structure in complex with raffinose
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Alpha-galactosidase, ...
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2019-06-25
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular analysis of an enigmaticStreptococcus pneumoniaevirulence factor: The raffinose-family oligosaccharide utilization system.
J.Biol.Chem., 294, 2019
7PBW
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BU of 7pbw by Molmil
Cryo-EM structure of light harvesting complex 2 from Rba. sphaeroides.
Descriptor: BACTERIOCHLOROPHYLL A, CALCIUM ION, LAURYL DIMETHYLAMINE-N-OXIDE, ...
Authors:Qian, P, Swainsbury, D.J.K, Croll, T.I, Castro-Hartmann, P, Sader, K, Divitini, G, Hunter, C.N.
Deposit date:2021-08-02
Release date:2021-11-24
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:Cryo-EM Structure of the Rhodobacter sphaeroides Light-Harvesting 2 Complex at 2.1 angstrom.
Biochemistry, 60, 2021
6PRW
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BU of 6prw by Molmil
CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P DERIVATIVE FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor: Propionyl-CoA carboxylase subunit beta, {4-[(6-chloroquinoxalin-2-yl)oxy]phenyl}acetic acid
Authors:Reddy, M.C.M, Nian, Z, Michele, S.T.C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2019-07-11
Release date:2020-07-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.609 Å)
Cite:CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P DEVERIVATIVE FROM MYCOBACTERIUM TUBERCULOSIS
To Be Published
7TUQ
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BU of 7tuq by Molmil
Crystal structure of BRD4 bromodomain 1 in complex with monoacetylated SARS-CoV-2 E
Descriptor: Bromodomain-containing protein 4, Envelope small membrane protein
Authors:Vann, K.R, Kutateladze, T.G.
Deposit date:2022-02-03
Release date:2022-07-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Binding of the SARS-CoV-2 envelope E protein to human BRD4 is essential for infection.
Structure, 30, 2022
6PQ8
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BU of 6pq8 by Molmil
Crystal structure of TLA-1 S70G extended spectrum Beta-lactamase in complex with clavulanic acid
Descriptor: (2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-OXO-4-OXA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, ACETATE ION, ASPARTIC ACID, ...
Authors:Rudino-Pinera, E, Cifuentes-Castro, V.H, Rodriguez-Almazan, C.
Deposit date:2019-07-08
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The crystal structure of ESBL TLA-1 in complex with clavulanic acid reveals a second acylation site.
Biochem.Biophys.Res.Commun., 522, 2020
7OTT
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BU of 7ott by Molmil
Metabolon-embedded pyruvate dehydrogenase complex E2 core at near-atomic resolution
Descriptor: Acetyltransferase component of pyruvate dehydrogenase complex
Authors:Tueting, C, Kastritis, P.L.
Deposit date:2021-06-10
Release date:2021-12-01
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.84 Å)
Cite:Cryo-EM snapshots of a native lysate provide structural insights into a metabolon-embedded transacetylase reaction.
Nat Commun, 12, 2021
7U3A
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BU of 7u3a by Molmil
Structure of the Streptomyces venezuelae GlgX-c-di-GMP complex
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Glycogen debranching enzyme GlgX
Authors:Schumacher, M.A.
Deposit date:2022-02-26
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Allosteric regulation of glycogen breakdown by the second messenger cyclic di-GMP.
Nat Commun, 13, 2022
6PRG
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BU of 6prg by Molmil
SBP RafE in complex with stachyose
Descriptor: 1,2-ETHANEDIOL, ABC transporter sugar-binding protein, CITRIC ACID, ...
Authors:Meier, E.P.W, Boraston, A.B.
Deposit date:2019-07-10
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Molecular analysis of an enigmaticStreptococcus pneumoniaevirulence factor: The raffinose-family oligosaccharide utilization system.
J.Biol.Chem., 294, 2019
7TZK
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BU of 7tzk by Molmil
EPS8 SH3 Domain with NleH1 PxxDY Motif
Descriptor: Epidermal growth factor receptor kinase substrate 8, T3SS secreted effector NleH homolog
Authors:Grishin, A.M, Cygler, M.
Deposit date:2022-02-15
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Targeting of microvillus protein Eps8 by the NleH effector kinases from enteropathogenic E. coli
Proc.Natl.Acad.Sci.USA, 119, 2022
6VUA
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BU of 6vua by Molmil
X-ray structure of human CD38 catalytic domain with 2'-Cl-araNAD+
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, DI(HYDROXYETHYL)ETHER, ...
Authors:Dai, Z, Zhang, X.N, Nasertorabi, F, Han, G.W, Stevens, R.C, Zhang, Y.
Deposit date:2020-02-14
Release date:2020-06-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Synthesis of site-specific antibody-drug conjugates by ADP-ribosyl cyclases.
Sci Adv, 6, 2020
6PRE
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BU of 6pre by Molmil
SBP RafE in complex with verbascose
Descriptor: 1,2-ETHANEDIOL, ABC transporter sugar-binding protein, alpha-D-galactopyranose-(1-6)-alpha-D-galactopyranose-(1-6)-alpha-D-galactopyranose-(1-6)-[beta-D-fructofuranose-(2-1)]alpha-D-glucopyranose
Authors:Meier, E.P.W, Boraston, A.B.
Deposit date:2019-07-10
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular analysis of an enigmaticStreptococcus pneumoniaevirulence factor: The raffinose-family oligosaccharide utilization system.
J.Biol.Chem., 294, 2019
6XM1
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BU of 6xm1 by Molmil
SM Protein Vps45 in Complex with Qa SNARE Tlg2
Descriptor: Tlg2 Qa SNARE, Vps45
Authors:Jeffrey, P.D, Eisemann, T.J, Hughson, F.M.
Deposit date:2020-06-29
Release date:2020-08-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Sec1/Munc18 protein Vps45 holds the Qa-SNARE Tlg2 in an open conformation.
Elife, 9, 2020
6Q36
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BU of 6q36 by Molmil
TEAD4(216-434) complexed with optimized peptide 9 and myristoate (covalently bound) at 2.01A resolution: Structure-based design of potent linear peptide inhibitors of the YAP-TEAD protein-protein interaction derived from the YAP omega-loop sequence
Descriptor: ACE-PRO-6CW-ARG-LEU-ARG-LYS-2JH-HYP-ASP-SER-PHE-ALN-LYS-GLU-PRO-NH2, MYRISTIC ACID, PHOSPHATE ION, ...
Authors:Kallen, J.
Deposit date:2018-12-03
Release date:2019-07-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structure-based design of potent linear peptide inhibitors of the YAP-TEAD protein-protein interaction derived from the YAP omega-loop sequence.
Bioorg.Med.Chem.Lett., 29, 2019
7OH4
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BU of 7oh4 by Molmil
Cryo-EM structure of Drs2p-Cdc50p in the E1 state with PI4P and Mg2+ bound
Descriptor: (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Timcenko, M, Dieudonne, T, Montigny, C, Boesen, T, Lyons, J.A, Lenoir, G, Nissen, P.
Deposit date:2021-05-09
Release date:2021-06-09
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of substrate-independent phosphorylation in a P4-ATPase lipid flippase
J.Mol.Biol., 2021
6XU4
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BU of 6xu4 by Molmil
Crystal structure of the genetically-encoded FGCaMP calcium indicator in its calcium-bound state
Descriptor: CALCIUM ION, FGCamp
Authors:Boyko, K.M, Nikolaeva, A.Y, Korzhenevskiy, D.A, Barykina, N.V, Subach, O.M, Subach, F.V.
Deposit date:2020-01-17
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:FGCaMP7, an Improved Version of Fungi-Based Ratiometric Calcium Indicator for In Vivo Visualization of Neuronal Activity.
Int J Mol Sci, 21, 2020
6PTK
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BU of 6ptk by Molmil
Crystal structure of the sulfatase PsS1_NC C84A with bound sulfate ion
Descriptor: 1,2-ETHANEDIOL, 3,6-anhydro-D-galactose, 4-O-sulfo-beta-D-galactopyranose, ...
Authors:Hettle, A.G, Boraston, A.B.
Deposit date:2019-07-16
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Insights into the kappa / iota-carrageenan metabolism pathway of some marinePseudoalteromonasspecies.
Commun Biol, 2, 2019
2OG5
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BU of 2og5 by Molmil
Crystal structure of asparagine oxygenase (AsnO)
Descriptor: ACETIC ACID, Putative oxygenase, SODIUM ION
Authors:Essen, L.O, Strieker, M.
Deposit date:2007-01-05
Release date:2007-03-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Mechanistic and structural basis of stereospecific Cbeta-hydroxylation in calcium-dependent antibiotic, a daptomycin-type lipopeptide.
Acs Chem.Biol., 2, 2007
6YAP
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BU of 6yap by Molmil
Crystal structure of ZmCKO4a in complex with inhibitor 1-(3-Chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea
Descriptor: 1,2-ETHANEDIOL, 1-(3-Chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea, Cytokinin dehydrogenase 4, ...
Authors:Kopecny, D, Briozzo, P, Morera, S.
Deposit date:2020-03-12
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Diphenylurea-derived cytokinin oxidase/dehydrogenase inhibitors for biotechnology and agriculture.
J.Exp.Bot., 72, 2021
6PV5
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BU of 6pv5 by Molmil
Structure of CpGH84B
Descriptor: 1,2-ETHANEDIOL, Putative O-GlcNAcase nagJ
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2019-07-19
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structural and functional analysis of four family 84 glycoside hydrolases from the opportunistic pathogen Clostridium perfringens.
Glycobiology, 30, 2019
6WAQ
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BU of 6waq by Molmil
Crystal structure of the SARS-CoV-1 RBD bound by the cross-reactive single-domain antibody SARS VHH-72
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, nanobody SARS VHH-72
Authors:Wrapp, D, McLellan, J.S.
Deposit date:2020-03-25
Release date:2020-04-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for Potent Neutralization of Betacoronaviruses by Single-Domain Camelid Antibodies.
Cell, 181, 2020
2OHP
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BU of 2ohp by Molmil
X-ray crystal structure of beta secretase complexed with compound 3
Descriptor: 6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-2-AMINE, Beta-secretase 1, DIMETHYL SULFOXIDE, ...
Authors:Patel, S.
Deposit date:2007-01-10
Release date:2007-05-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase.
J.Med.Chem., 50, 2007
2O09
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BU of 2o09 by Molmil
Crystal structure of the H-NOX domain from Nostoc sp. PCC 7120
Descriptor: Alr2278 protein, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ma, X, van den Akker, F.
Deposit date:2006-11-27
Release date:2007-01-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:NO and CO differentially activate soluble guanylyl cyclase via a heme pivot-bend mechanism.
Embo J., 26, 2007

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