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6QI2
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BU of 6qi2 by Molmil
Time resolved structural analysis of the full turnover of an enzyme - 13536 ms
Descriptor: Fluoroacetate dehalogenase, GLYCOLIC ACID
Authors:Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D.
Deposit date:2019-01-17
Release date:2019-09-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
7SPK
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BU of 7spk by Molmil
Models for C16 reconstruction of Outer Membrane Core Complex (OMCC) of Type IV Secretion System (T4SS) encoded by a plasmid overproducing TraV, TraK and TraB of pED208
Descriptor: TraB, TraV
Authors:Liu, X, Khara, P, Baker, M.L, Christie, P.J, Hu, B.
Deposit date:2021-11-02
Release date:2022-02-02
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structure of a type IV secretion system core complex encoded by multi-drug resistance F plasmids
Nat Commun, 13, 2022
6QII
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BU of 6qii by Molmil
Xenon derivatization of the F420-reducing [NiFe] hydrogenase complex from Methanosarcina barkeri
Descriptor: (R,R)-2,3-BUTANEDIOL, Coenzyme F420 hydrogenase subunit alpha, Coenzyme F420 hydrogenase subunit beta, ...
Authors:Ilina, Y, Lorent, C, Katz, S, Jeoung, J.H, Shima, S, Horch, M, Zebger, I, Dobbek, H.
Deposit date:2019-01-19
Release date:2019-10-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:X-ray Crystallography and Vibrational Spectroscopy Reveal the Key Determinants of Biocatalytic Dihydrogen Cycling by [NiFe] Hydrogenases.
Angew.Chem.Int.Ed.Engl., 58, 2019
7SPJ
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BU of 7spj by Molmil
Models for C17 reconstruction of Outer Membrane Core Complex (OMCC) of Type IV Secretion System (T4SS) encoded by a plasmid overproducing TraV, TraK and TraB of pED208
Descriptor: TraB, TraV
Authors:Liu, X, Khara, P, Baker, M.L, Christie, P.J, Hu, B.
Deposit date:2021-11-02
Release date:2022-02-02
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.56 Å)
Cite:Structure of a type IV secretion system core complex encoded by multi-drug resistance F plasmids
Nat Commun, 13, 2022
7SPI
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BU of 7spi by Molmil
Models for C13 reconstruction of Outer Membrane Core Complex (OMCC) of Type IV Secretion System (T4SS) encoded by a plasmid overproducing TraV, TraK and TraB of pED208
Descriptor: TraB, TraK, TraV
Authors:Liu, X, Khara, P, Baker, M.L, Christie, P.J, Hu, B.
Deposit date:2021-11-02
Release date:2022-02-02
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structure of a type IV secretion system core complex encoded by multi-drug resistance F plasmids
Nat Commun, 13, 2022
6QJ0
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BU of 6qj0 by Molmil
Crystal structure of the C. thermophilum condensin Smc2 ATPase head (crystal form II)
Descriptor: Structural maintenance of chromosomes protein,Structural maintenance of chromosomes protein
Authors:Hassler, M, Haering, C.H.
Deposit date:2019-01-22
Release date:2019-07-03
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis of an Asymmetric Condensin ATPase Cycle.
Mol.Cell, 74, 2019
7T55
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BU of 7t55 by Molmil
Cryo-EM structure of PCAT1 in the inward-facing wide conformation under ATP turnover condition
Descriptor: ABC-type bacteriocin transporter, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Kieuvongngam, V, Chen, J.
Deposit date:2021-12-11
Release date:2022-02-02
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structures of the peptidase-containing ABC transporter PCAT1 under equilibrium and nonequilibrium conditions.
Proc.Natl.Acad.Sci.USA, 119, 2022
6QF4
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BU of 6qf4 by Molmil
X-Ray structure of human Serine/Threonine Kinase 17B (STK17B) aka DRAK2 in complex with ADP obtained by on-chip soaking
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Lieske, J, Cerv, M, Kreida, S, Barthelmess, M, Fischer, P, Pakendorf, T, Yefanov, O, Mariani, V, Seine, T, Ross, B.H, Crosas, E, Lorbeer, O, Burkhardt, A, Lane, T.J, Guenther, S, Bergtholdt, J, Schoen, S, Tornroth-Horsefield, S, Chapman, H.N, Meents, A.
Deposit date:2019-01-09
Release date:2019-07-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.495 Å)
Cite:On-chip crystallization for serial crystallography experiments and on-chip ligand-binding studies.
Iucrj, 6, 2019
6QF8
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BU of 6qf8 by Molmil
Solution NMR ensemble for human ubiquitin at 298K compiled using the CoMAND method
Descriptor: Polyubiquitin-B
Authors:ElGamacy, M, Truffault, V, Zhu, H, Coles, M.
Deposit date:2019-01-09
Release date:2019-04-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Mapping Local Conformational Landscapes of Proteins in Solution.
Structure, 27, 2019
7TEI
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BU of 7tei by Molmil
SARS-CoV-2 Omicron 1-RBD up Spike Protein Trimer without the P986-P987 stabilizing mutations (S-GSAS-Omicron)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Stalls, V, Acharya, P.
Deposit date:2022-01-05
Release date:2022-02-16
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7T7Q
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BU of 7t7q by Molmil
R-27 In Complex with S. aureus DHFR and alpha-NADPH - Remediated for comparison with tNADPH
Descriptor: 6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, ACETATE ION, Dihydrofolate reductase, ...
Authors:Reeve, S.M, Wang, S, Donald, B.R, Wright, D.L.
Deposit date:2021-12-15
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Chiral evasion and stereospecific antifolate resistance in Staphylococcus aureus.
Plos Comput.Biol., 18, 2022
6QFR
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BU of 6qfr by Molmil
Structure of the mitogen activated kinase kinase 7 dfg-out conformation
Descriptor: Dual specificity mitogen-activated protein kinase kinase 7
Authors:Wolle, P, Mueller, M.P, Rauh, D.
Deposit date:2019-01-10
Release date:2019-05-22
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7).
J.Med.Chem., 62, 2019
7TDN
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BU of 7tdn by Molmil
CryoEM Structure of sFab COP-3 Complex with human claudin-4 and Clostridium perfringens enterotoxin C-terminal domain
Descriptor: COP-3 Fab Heavy chain, COP-3 Fab Light chain, Claudin-4, ...
Authors:Vecchio, A.J.
Deposit date:2022-01-01
Release date:2022-02-09
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (5 Å)
Cite:Development, structure, and mechanism of synthetic antibodies that target claudin and Clostridium perfringens enterotoxin complexes.
J.Biol.Chem., 298, 2022
6QJI
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BU of 6qji by Molmil
Crystal Structure of the third PDZ domain of PSD-95 protein: space group P3112
Descriptor: Disks large homolog 4, SULFATE ION
Authors:Camara-Artigas, A.
Deposit date:2019-01-24
Release date:2019-04-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Conformational changes in the third PDZ domain of the neuronal postsynaptic density protein 95.
Acta Crystallogr D Struct Biol, 75, 2019
7SPB
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BU of 7spb by Molmil
Models for C13 reconstruction of Outer Membrane Core Complex (OMCC) of Type IV Secretion System (T4SS) encoded by F-plasmid (pED208).
Descriptor: TraB, TraK, TraV
Authors:Liu, X, Khara, P, Baker, M.L, Christie, P.J, Hu, B.
Deposit date:2021-11-02
Release date:2022-02-02
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.31 Å)
Cite:Structure of a type IV secretion system core complex encoded by multi-drug resistance F plasmids
Nat Commun, 13, 2022
6QK2
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BU of 6qk2 by Molmil
R2-like ligand-binding oxidase Y715F mutant with anaerobically reconstituted Mn/Fe cofactor
Descriptor: FE (II) ION, MANGANESE (II) ION, PALMITIC ACID, ...
Authors:Griese, J.J, Hogbom, M.
Deposit date:2019-01-28
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.596 Å)
Cite:Key Structural Motifs Balance Metal Binding and Oxidative Reactivity in a Heterobimetallic Mn/Fe Protein.
J.Am.Chem.Soc., 142, 2020
7SVS
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BU of 7svs by Molmil
Crystal structure analysis of the G73A mutant of Superoxide Dismutase from Trichoderma reesei
Descriptor: MANGANESE (II) ION, Superoxide dismutase
Authors:Mendoza Rengifo, E, Ferreira Jr, J.R, Garratt, C.R.
Deposit date:2021-11-19
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Unexpected plasticity of the quaternary structure of iron-manganese superoxide dismutases.
J.Struct.Biol., 214, 2022
6QKM
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BU of 6qkm by Molmil
Diallyl trisulfide inhibited sulfur oxygenase reductase
Descriptor: FE (III) ION, Sulfur oxygenase/reductase
Authors:Frazao, C, Klezin, A, Poell, U.
Deposit date:2019-01-29
Release date:2020-02-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Multiple sulfane modifications in active-site cysteine thiols of two sulfur oxygenase reductases and analysis of substrate/product channels
To Be Published
6QKW
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BU of 6qkw by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Fluoroacetate soaked 2hr
Descriptor: CHLORIDE ION, Fluoroacetate dehalogenase, GLYCOLIC ACID, ...
Authors:Mehrabi, P, Kim, T.H, Prosser, R.S, Pai, E.F.
Deposit date:2019-01-30
Release date:2019-06-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.512 Å)
Cite:Substrate-Based Allosteric Regulation of a Homodimeric Enzyme.
J.Am.Chem.Soc., 141, 2019
7TF8
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BU of 7tf8 by Molmil
SARS-CoV-2 Omicron 3-RBD down Spike Protein Trimer without the P986-P987 stabilizing mutations (S-GSAS-Omicron)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Stalls, V, Acharya, P.
Deposit date:2022-01-06
Release date:2022-02-16
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
6QG0
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BU of 6qg0 by Molmil
Structure of eIF2B-eIF2 (phosphorylated at Ser51) complex (model 1)
Descriptor: Eukaryotic translation initiation factor 2 subunit alpha, Eukaryotic translation initiation factor 2 subunit beta, Eukaryotic translation initiation factor 2 subunit gamma, ...
Authors:Llacer, J.L, Gordiyenko, Y, Ramakrishnan, V.
Deposit date:2019-01-10
Release date:2019-06-26
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4.15 Å)
Cite:Structural basis for the inhibition of translation through eIF2 alpha phosphorylation.
Nat Commun, 10, 2019
7T1Y
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BU of 7t1y by Molmil
Structure of the Fbw7-Skp1-MycCdegron complex
Descriptor: F-box/WD repeat-containing protein 7, Myc proto-oncogene protein C terminal degron, S-phase kinase-associated protein 1, ...
Authors:Wang, B, Rusnac, D.V, Clurman, B.E, Zheng, N.
Deposit date:2021-12-02
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Two diphosphorylated degrons control c-Myc degradation by the Fbw7 tumor suppressor.
Sci Adv, 8, 2022
6QGV
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BU of 6qgv by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with a Spiro[4.5]decanone inhibitor (JPHM-2-167)
Descriptor: 8-[(3-methylpyridin-2-yl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione, Egl nine homolog 1, GLYCEROL, ...
Authors:Chowdhury, R, Holt-Martyn, J.P, Rahman, M.Z, Schofield, C.J.
Deposit date:2019-01-13
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Studies on spiro[4.5]decanone prolyl hydroxylase domain inhibitors.
Medchemcomm, 10, 2019
7T7V
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BU of 7t7v by Molmil
Munc13-1 C1-C2B-MUN-C2C Lateral conformation on lipid bilayer surface
Descriptor: Protein unc-13 homolog A
Authors:Grushin, K, Sindelar, C.V.
Deposit date:2021-12-15
Release date:2022-02-09
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (10 Å)
Cite:Munc13 structural transitions and oligomers that may choreograph successive stages in vesicle priming for neurotransmitter release.
Proc.Natl.Acad.Sci.USA, 119, 2022
7TD4
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BU of 7td4 by Molmil
Sphingosine-1-phosphate receptor 1-Gi complex bound to Siponimod
Descriptor: 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y.
Deposit date:2021-12-30
Release date:2022-02-09
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate.
Nat Commun, 13, 2022

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