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4FNY
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BU of 4fny by Molmil
Crystal structure of the R1275Q anaplastic lymphoma kinase catalytic domain in complex with a benzoxazole inhibitor
Descriptor: ALK tyrosine kinase receptor, N-(4-chlorophenyl)-5-[(6,7-dimethoxyquinolin-4-yl)oxy]-1,3-benzoxazol-2-amine
Authors:Whittington, D.A, Epstein, L.F, Chen, H.
Deposit date:2012-06-20
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The R1275Q Neuroblastoma Mutant and Certain ATP-competitive Inhibitors Stabilize Alternative Activation Loop Conformations of Anaplastic Lymphoma Kinase.
J.Biol.Chem., 287, 2012
2BGY
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BU of 2bgy by Molmil
Fit of the x-ray structure of the baterial flagellar hook fragment flge31 into an EM map from the hook of Caulobacter crescentus.
Descriptor: FLAGELLAR HOOK PROTEIN FLGE
Authors:Shaikh, T.R, Thomas, D.R, Chen, J.Z, Samatey, F.A, Matsunami, H, Imada, K, Namba, K, DeRosier, D.J.
Deposit date:2005-01-06
Release date:2005-01-27
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (9 Å)
Cite:A Partial Atomic Structure for the Flagellar Hook of Salmonella Typhimurium.
Proc.Natl.Acad.Sci.USA, 102, 2005
5DG0
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BU of 5dg0 by Molmil
Human APE1 phosphorothioate substrate complex with Mn2+
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(OMC)P*(48Z)P*CP*GP*AP*CP*GP*GP*AP*TP*CP*C)-3'), ...
Authors:Freudenthal, B.D, Wilson, S.H.
Deposit date:2015-08-27
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Capturing snapshots of APE1 processing DNA damage.
Nat.Struct.Mol.Biol., 22, 2015
5DGM
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BU of 5dgm by Molmil
Crystal structure of human FPPS in complex with monophosphonate compound 7
Descriptor: Farnesyl pyrophosphate synthase, PHOSPHATE ION, {2-[(phosphonomethyl)carbamoyl]-1H-benzo[g]indol-1-yl}acetic acid
Authors:Rondeau, J.M, Bourgier, E, Lehmann, S.
Deposit date:2015-08-28
Release date:2016-07-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:A General Strategy for Targeting Drugs to Bone.
Angew.Chem.Int.Ed.Engl., 54, 2015
2C1J
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BU of 2c1j by Molmil
Molecular basis for the recognition of phosphorylated and phosphoacetylated histone H3 by 14-3-3
Descriptor: 14-3-3 PROTEIN ZETA/DELTA, HISTONE H3 ACETYLPHOSPHOPEPTIDE
Authors:Welburn, J.P.I, Macdonald, N, Noble, M.E.M, Nguyen, A, Yaffe, M.B, Clynes, D, Moggs, J.G, Orphanides, G, Thomson, S, Edmunds, J.W, Clayton, A.L, Endicott, J.A, Mahadevan, L.C.
Deposit date:2005-09-15
Release date:2005-11-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular Basis for the Recognition of Phosphorylated and Phosphoacetylated Histone H3 by 14-3-3.
Mol.Cell, 20, 2005
5DEG
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BU of 5deg by Molmil
Crystal structure of B*27:06 bound to the pVIPR peptide
Descriptor: Beta-2-microglobulin, GLYCEROL, MHC class I antigen, ...
Authors:Loll, B, Fabian, H, Hee, C.S, Huser, H, Uchanska-Ziegler, B, Ziegler, A.
Deposit date:2015-08-25
Release date:2015-11-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Increased Conformational Flexibility of HLA-B*27 Subtypes Associated With Ankylosing Spondylitis.
Arthritis Rheumatol, 68, 2016
4FDG
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BU of 4fdg by Molmil
Crystal Structure of an Archaeal MCM Filament
Descriptor: Minichromosome maintenance protein MCM, ZINC ION
Authors:Slaymaker, I.M, Fu, Y, Brewster, A.B, Chen, X.S.
Deposit date:2012-05-28
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Mini-chromosome maintenance complexes form a filament to remodel DNA structure and topology.
Nucleic Acids Res., 41, 2013
4FFM
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BU of 4ffm by Molmil
PylC in complex with L-lysine-Ne-D-ornithine (cocrystallized with L-lysine-Ne-D-ornithine)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Quitterer, F, List, A, Beck, P, Bacher, A, Groll, M.
Deposit date:2012-06-01
Release date:2012-09-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Biosynthesis of the 22nd genetically encoded amino acid pyrrolysine: structure and reaction mechanism of PylC at 1.5A resolution.
J.Mol.Biol., 424, 2012
2BWO
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BU of 2bwo by Molmil
5-Aminolevulinate Synthase from Rhodobacter capsulatus in complex with succinyl-CoA
Descriptor: 5-AMINOLEVULINATE SYNTHASE, PYRIDOXAL-5'-PHOSPHATE, SUCCINYL-COENZYME A
Authors:Astner, I, Schulze, J.O, van den Heuvel, J.J, Jahn, D, Schubert, W.-D, Heinz, D.W.
Deposit date:2005-07-15
Release date:2005-09-27
Last modified:2015-12-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of 5-Aminolevulinate Synthase, the First Enzyme of Heme Biosynthesis, and its Link to Xlsa in Humans.
Embo J., 24, 2005
4FFR
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BU of 4ffr by Molmil
SeMet-labeled PylC (remote)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PylC
Authors:Quitterer, F, List, A, Beck, P, Bacher, A, Groll, M.
Deposit date:2012-06-01
Release date:2012-09-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biosynthesis of the 22nd genetically encoded amino acid pyrrolysine: structure and reaction mechanism of PylC at 1.5A resolution.
J.Mol.Biol., 424, 2012
5DFI
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BU of 5dfi by Molmil
Human APE1 phosphorothioate substrate complex
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(OMC)P*(48Z)P*CP*GP*AP*CP*GP*GP*AP*TP*CP*C)-3'), ...
Authors:Freudenthal, B.D, Wilson, S.H.
Deposit date:2015-08-26
Release date:2015-10-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Capturing snapshots of APE1 processing DNA damage.
Nat.Struct.Mol.Biol., 22, 2015
2BDF
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BU of 2bdf by Molmil
Src kinase in complex with inhibitor AP23451
Descriptor: Proto-oncogene tyrosine-protein kinase Src, {[(4-{[2-(4-AMINOCYCLOHEXYL)-9-ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID
Authors:Dalgarno, D, Stehle, T, Schelling, P, Sawyer, T, Narula, S.
Deposit date:2005-10-20
Release date:2006-10-24
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of Src tyrosine kinase inhibition with a new class of potent and selective trisubstituted purine-based compounds.
Chem.Biol.Drug Des., 67, 2006
5DIY
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BU of 5diy by Molmil
Thermobaculum terrenum O-GlcNAc hydrolase mutant - D120N
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hyaluronidase, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
Authors:Ostrowski, A, Gundogdu, M, Ferenbach, A.T, Lebedev, A, van Aalten, D.M.F.
Deposit date:2015-09-01
Release date:2015-10-28
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Evidence for a Functional O-Linked N-Acetylglucosamine (O-GlcNAc) System in the Thermophilic Bacterium Thermobaculum terrenum.
J.Biol.Chem., 290, 2015
4FID
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BU of 4fid by Molmil
Crystal structure of a heterotrimeric G-Protein subunit from entamoeba histolytica, EHG-ALPHA-1
Descriptor: G protein alpha subunit, GUANOSINE-5'-DIPHOSPHATE
Authors:Bosch, D.E, Kimple, A.J, Muller, R.E, Gigure, P.M, Willard, F.S, Machius, M, Temple, B.R, Siderovski, D.P.
Deposit date:2012-06-08
Release date:2012-11-28
Last modified:2013-06-26
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Heterotrimeric G-protein Signaling Is Critical to Pathogenic Processes in Entamoeba histolytica.
Plos Pathog., 8, 2012
4FL5
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BU of 4fl5 by Molmil
Crystal structure of human 14-3-3 sigma in complex with a Tau-protein peptide surrounding pS214
Descriptor: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
Authors:Schumacher, B, Ottmann, C.
Deposit date:2012-06-14
Release date:2013-12-11
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Involvement of 14-3-3 in tubulin instability and impaired axon development is mediated by Tau.
FASEB J., 29, 2015
5DIR
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BU of 5dir by Molmil
membrane protein at 2.8 Angstroms
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Globomycin, Lipoprotein signal peptidase
Authors:Vogeley, L, El Arnaout, T, Bailey, J, Boland, C, Caffrey, M.
Deposit date:2015-09-01
Release date:2016-03-02
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of lipoprotein signal peptidase II action and inhibition by the antibiotic globomycin.
Science, 351, 2016
2C0S
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BU of 2c0s by Molmil
NMR Solution Structure of a protein aspartic acid phosphate phosphatase from Bacillus Anthracis
Descriptor: CONSERVED DOMAIN PROTEIN
Authors:Grenha, R, Rzechorzek, N.J, Brannigan, J.A, Ab, E, Folkers, G.E, De Jong, R.N, Diercks, T, Wilkinson, A.J, Kaptein, R, Wilson, K.S.
Deposit date:2005-09-07
Release date:2006-09-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural characterization of Spo0E-like protein-aspartic acid phosphatases that regulate sporulation in bacilli.
J. Biol. Chem., 281, 2006
5DQU
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BU of 5dqu by Molmil
Crystal Structure of Cas-DNA-10 complex
Descriptor: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (5'-D(*GP*AP*GP*TP*CP*GP*AP*TP*GP*CP*TP*TP*TP*TP*T)-3'), ...
Authors:Wang, J, Li, J, Zhao, H, Sheng, G, Wang, M, Yin, M, Wang, Y.
Deposit date:2015-09-15
Release date:2015-11-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Structural and Mechanistic Basis of PAM-Dependent Spacer Acquisition in CRISPR-Cas Systems.
Cell, 163, 2015
8FG2
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BU of 8fg2 by Molmil
SARS-CoV-2 Nucleocapsid dimer structure determined from COVID-19 patients
Descriptor: Nucleoprotein
Authors:Casasanta, M, Jonaid, G.M, Kaylor, L, Luqiu, W, DiCecco, L, Solares, M, Berry, S, Kelly, D.F.
Deposit date:2022-12-12
Release date:2023-01-11
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (6 Å)
Cite:Structural Insights of the SARS-CoV-2 Nucleocapsid Protein: Implications for the Inner-workings of Rapid Antigen Tests.
Microsc Microanal, 29, 2023
4FGI
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BU of 4fgi by Molmil
Structure of the effector - immunity system Tse1 / Tsi1 from Pseudomonas aeruginosa
Descriptor: Tse1, Tsi1
Authors:Benz, J, Sendlmeier, C, Barends, T.R.M, Meinhart, A.
Deposit date:2012-06-04
Release date:2012-06-20
Last modified:2012-07-25
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural Insights into the Effector - Immunity System Tse1/Tsi1 from Pseudomonas aeruginosa.
Plos One, 7, 2012
2BQX
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BU of 2bqx by Molmil
Inorganic Pyrophosphatase from the Pathogenic Bacterium Helicobacter pylori-Kinetic and Structural Properties
Descriptor: INORGANIC PYROPHOSPHATASE
Authors:Chao, T.-C, Sun, Y.-J.
Deposit date:2005-04-28
Release date:2006-10-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Kinetic and Structural Properties of Inorganic Pyrophosphatase from the Pathogenic Bacterium Helicobacter Pylori.
Proteins, 65, 2006
2BHI
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BU of 2bhi by Molmil
Crystal structure of Taiwan cobra cardiotoxin A3 complexed with sulfogalactoceramide
Descriptor: CYTOTOXIN 3, HEXAETHYLENE GLYCOL MONODECYL ETHER, SULFOGALACTOCERAMIDE
Authors:Wang, C.-H, Liu, J.-H, Wu, P.-L, Lee, S.-C, Hsiao, C.-D, Wu, W.-G.
Deposit date:2005-01-12
Release date:2005-11-28
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Glycosphingolipid-Facilitated Membrane Insertion and Internalization of Cobra Cardiotoxin: The Sulfatide/Cardiotoxin Complex Structure in a Membrane-Like Environment Suggests a Lipid-Dependent Cell-Penetrating Mechanism for Membrane Binding Polypeptides.
J.Biol.Chem., 281, 2006
7T21
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BU of 7t21 by Molmil
E. coli DnaB bound to ssDNA and ADP-AlF4
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), MAGNESIUM ION, ...
Authors:Oakley, A.J, Xu, Z.Q.
Deposit date:2021-12-02
Release date:2023-01-18
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (5.4 Å)
Cite:Sequence of conformation changes of DnaB helicase during DNA unwinding and priming in Escherichia coli
To Be Published
5DRO
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BU of 5dro by Molmil
Structure of the Aquifex aeolicus LpxC/LPC-011 Complex
Descriptor: 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Lee, C.-J, Najeeb, J, Zhou, P.
Deposit date:2015-09-16
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
2C4W
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BU of 2c4w by Molmil
Type II Dehydroquinase from H. pylori in complex with AH9095
Descriptor: 3-DEHYDROQUINATE DEHYDRATASE, GLYCEROL, IMIDAZOLE, ...
Authors:Robinson, D.A, Lapthorn, A.J.
Deposit date:2005-10-24
Release date:2006-02-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal Structures of Helicobacter Pylori Type II Dehydroquinase Inhibitor Complexes: New Directions for Inhibitor Design.
J.Med.Chem., 49, 2006

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