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4LRJ
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BU of 4lrj by Molmil
Bacterial Effector NleH1 Kinase Domain with AMPPNP and Mg2+
Descriptor: Effector NleH1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Cygler, M, Grishin, A.M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2013-07-19
Release date:2014-01-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.619 Å)
Cite:NleH defines a new family of bacterial effector kinases.
Structure, 22, 2014
7DXJ
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BU of 7dxj by Molmil
Human 46QHuntingtin-HAP40 complex structure
Descriptor: 40-kDa huntingtin-associated protein, Huntingtin
Authors:Guo, Q, Fernandez-Busnadiego, R.
Deposit date:2021-01-19
Release date:2021-03-24
Last modified:2021-10-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Pathological polyQ expansion does not alter the conformation of the Huntingtin-HAP40 complex.
Structure, 29, 2021
7DXK
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BU of 7dxk by Molmil
Human 128QHuntingtin-HAP40 complex structure
Descriptor: 40-kDa huntingtin-associated protein, Huntingtin
Authors:Guo, Q, Fernandez-Busnadiego, R.
Deposit date:2021-01-19
Release date:2021-03-24
Last modified:2021-10-06
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Pathological polyQ expansion does not alter the conformation of the Huntingtin-HAP40 complex.
Structure, 29, 2021
3V00
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BU of 3v00 by Molmil
Studies of a constitutively active G-alpha subunit provide insights into the mechanism of G protein activation.
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(t) subunit alpha-1/ Guanine nucleotide-binding protein G(i) subunit alpha-1 chimeric protein
Authors:Singh, G, Cerione, R.A.
Deposit date:2011-12-07
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A constitutively active G-alpha subunit provide insights into the mechanism of G protein activation
Biochemistry, 51, 2012
4KS3
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BU of 4ks3 by Molmil
Influenza Neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-[4-(3-hydroxypropyl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
Descriptor: (3S,4R,5R)-4-(acetylamino)-3-[4-(3-hydroxypropyl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase
Authors:Kerry, P.S, Russell, R.J.M.
Deposit date:2013-05-17
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for a class of nanomolar influenza A neuraminidase inhibitors.
Sci Rep, 3, 2013
7JHX
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BU of 7jhx by Molmil
Crystal structure of hEPG5 LIR/GABARAPL1 complex
Descriptor: Ectopic P granules protein 5 homolog, Gamma-aminobutyric acid receptor-associated protein-like 1, SULFATE ION
Authors:Cheung, Y.W.S, Yip, C.K.
Deposit date:2020-07-21
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Insights on autophagosome-lysosome tethering from structural and biochemical characterization of human autophagy factor EPG5.
Commun Biol, 4, 2021
3WCR
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BU of 3wcr by Molmil
Crystal structure of plant lectin (ligand-free form)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, Erythroagglutinin
Authors:Nagae, M, Yamaguchi, Y.
Deposit date:2013-05-31
Release date:2014-04-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Phytohemagglutinin from Phaseolus vulgaris (PHA-E) displays a novel glycan recognition mode using a common legume lectin fold
Glycobiology, 24, 2014
3WCS
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BU of 3wcs by Molmil
Crystal structure of plant lectin (ligand-bound form)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, ...
Authors:Nagae, M, Yamaguchi, Y.
Deposit date:2013-05-31
Release date:2014-04-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Phytohemagglutinin from Phaseolus vulgaris (PHA-E) displays a novel glycan recognition mode using a common legume lectin fold
Glycobiology, 24, 2014
2ABK
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BU of 2abk by Molmil
REFINEMENT OF THE NATIVE STRUCTURE OF ENDONUCLEASE III TO A RESOLUTION OF 1.85 ANGSTROM
Descriptor: ENDONUCLEASE III, IRON/SULFUR CLUSTER
Authors:Thayer, M.M, Tainer, J.A.
Deposit date:1995-05-11
Release date:1995-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Novel DNA binding motifs in the DNA repair enzyme endonuclease III crystal structure.
EMBO J., 14, 1995
5QCS
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BU of 5qcs by Molmil
Crystal structure of BACE complex with BMC024
Descriptor: (2R,4S)-N-BUTYL-4-HYDROXY-2-METHYL- 4-((E)-(4AS,12R,15S,17AS)-15-METHYL -14,17-DIOXO-2,3,4,4A,6,9,11,12,13, 14,15,16,17,17A-TETRADECAHYDRO-1H-5 ,10-DITHIA-1,13,16-TRIAZA-BENZOCYCL OPENTADECEN-12-YL)-BUTYRAMIDE, Beta-secretase 1
Authors:Rondeau, J.M, Shao, C, Yang, H, Burley, S.K.
Deposit date:2017-12-01
Release date:2020-06-03
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
5QD4
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BU of 5qd4 by Molmil
Crystal structure of BACE complex with BMC023
Descriptor: Beta-secretase 1, {(E)-(3R,6S,9R)-3-[(1S,3R)-3-((S)-1 -BUTYLCARBAMOYL-2-METHYL-PROPYLCARB AMOYL)-1-HYDROXY-BUTYL]-6-METHYL-5, 8-DIOXO-1,11-DITHIA-4,7-DIAZA-CYCLO PENTADEC-13-EN-9-YL}-CARBAMIC ACID TERT-BUTYL ESTER
Authors:Rondeau, J.M, Shao, C, Yang, H, Burley, S.K.
Deposit date:2017-12-01
Release date:2020-06-03
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.112 Å)
Cite:D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
1OKK
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BU of 1okk by Molmil
HOMO-HETERODIMERIC COMPLEX OF THE SRP GTPASES
Descriptor: 1,2-ETHANEDIOL, CELL DIVISION PROTEIN FTSY, MAGNESIUM ION, ...
Authors:Focia, P.J, Freymann, D.M.
Deposit date:2003-07-26
Release date:2004-01-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Heterodimeric Gtpase Core of the Srp Targeting Complex
Science, 303, 2004
2PKC
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BU of 2pkc by Molmil
CRYSTAL STRUCTURE OF CALCIUM-FREE PROTEINASE K AT 1.5 ANGSTROMS RESOLUTION
Descriptor: PROTEINASE K, SODIUM ION
Authors:Mueller, A, Hinrichs, W, Wolf, W.M, Saenger, W.
Deposit date:1993-06-04
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of calcium-free proteinase K at 1.5-A resolution.
J.Biol.Chem., 269, 1994

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