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5W61
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BU of 5w61 by Molmil
Crystal structure of BAXP168G monomer co-crystallized with glycerol
Descriptor: Apoptosis regulator BAX
Authors:Robin, A.Y, Colman, P.M, Czabotar, P.E.
Deposit date:2017-06-16
Release date:2018-06-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Ensemble Properties of Bax Determine Its Function.
Structure, 26, 2018
5W63
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BU of 5w63 by Molmil
Crystal structure of channel catfish BAX
Descriptor: 1,2-ETHANEDIOL, Apoptosis regulator bax, SULFATE ION
Authors:Robin, A.Y, Colman, P.M, Czabotar, P.E, Luo, C.S.
Deposit date:2017-06-16
Release date:2018-06-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.436 Å)
Cite:Ensemble Properties of Bax Determine Its Function.
Structure, 26, 2018
5W60
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BU of 5w60 by Molmil
Crystal structure of BAXP168G monomer cryo-protected with ethylene glycol
Descriptor: Apoptosis regulator BAX, SULFATE ION
Authors:Robin, A.Y, Colman, P.M, Czabotar, P.E.
Deposit date:2017-06-16
Release date:2018-06-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.803 Å)
Cite:Ensemble Properties of Bax Determine Its Function.
Structure, 26, 2018
5WDD
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BU of 5wdd by Molmil
Crystal structure of chicken BOK
Descriptor: 1,2-ETHANEDIOL, Bcl-2-related ovarian killer protein
Authors:Cowan, A.D, Colman, P.M, Czabotar, P.E.
Deposit date:2017-07-04
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Embryogenesis and Adult Life in the Absence of Intrinsic Apoptosis Effectors BAX, BAK, and BOK.
Cell, 173, 2018
4QVX
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BU of 4qvx by Molmil
Discovery of a Potent and Selective BCL-XL Inhibitor That Demonstrates Thrombocytopenia and Inhibits Tumor Growth in Vivo
Descriptor: 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-(3-{4-[3-(dimethylamino)prop-1-yn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid, Bcl-2-like protein 1
Authors:Park, C.H.
Deposit date:2014-07-16
Release date:2015-07-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a Potent and Selective BCL-XL Inhibitor with in Vivo Activity.
ACS MED.CHEM.LETT., 5, 2014
7LK4
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BU of 7lk4 by Molmil
Crystal structure of BAK L100A in complex with activating antibody fragments
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 7D10 antibody VH fragment, 7D10 antibody VL fragment, ...
Authors:Robin, Y.A, Colman, P.M.
Deposit date:2021-02-01
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of the BAK-activating antibody 7D10 bound to BAK reveals an unexpected role for the alpha 1-alpha 2 loop in BAK activation.
Cell Death Differ., 29, 2022
4HNN
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BU of 4hnn by Molmil
Dihydrodipicolinate Synthase from the common grapevine with pyruvate and lysine
Descriptor: Dihydrodipicolinate synthase, LYSINE
Authors:Atkinson, S.C, Dobson, R.C.J, Perugini, M.A.
Deposit date:2012-10-19
Release date:2013-09-04
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural, kinetic and computational investigation of Vitis vinifera DHDPS reveals new insight into the mechanism of lysine-mediated allosteric inhibition.
Plant Mol.Biol., 81, 2013
4HWE
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BU of 4hwe by Molmil
Crystal structure of ectodomain 3 of the IL-13 receptor alpha1 in complex with a human neutralizing monoclonal antibody fragment
Descriptor: Fab heavy chain, Fab light chain, GLYCEROL, ...
Authors:Xu, Y.
Deposit date:2012-11-07
Release date:2013-02-27
Last modified:2013-07-24
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Crystal structure of ectodomain 3 of the IL-13 receptor alpha1 in complex with a human neutralizing monoclonal antibody fragment
Biochem.J., 451, 2013
4HWB
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BU of 4hwb by Molmil
Crystal structure of ectodomain 3 of the IL-13 receptor alpha 1 in complex with a human neutralizing monoclonal antibody fragment
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Fab heavy chain, Fab light chain, ...
Authors:Xu, Y.
Deposit date:2012-11-07
Release date:2013-02-27
Last modified:2013-07-24
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Crystal structure of ectodomain 3 of the IL-13 receptor alpha 1 in complex with a human neutralizing monoclonal antibody fragment
Biochem.J., 451, 2013
3L5H
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BU of 3l5h by Molmil
Crystal structure of the full ectodomain of human gp130: New insights into the molecular assembly of receptor complexes
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-6 receptor subunit beta, SULFATE ION, ...
Authors:Xu, Y, Garrett, T.P.J, Zhang, J.G.
Deposit date:2009-12-21
Release date:2010-05-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Crystal structure of the entire ectodomain of gp130: insights into the molecular assembly of the tall cytokine receptor complexes.
J.Biol.Chem., 285, 2010
7TBD
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BU of 7tbd by Molmil
Crystal structure of Plasmepsin X from Plasmodium vivax in complex with WM382
Descriptor: (4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Hodder, A.N, Christensen, J.B, Scally, S.W, Cowman, A.F.
Deposit date:2021-12-21
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Structure, 30, 2022
7TBB
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BU of 7tbb by Molmil
Crystal structure of Plasmepsin X from Plasmodium falciparum
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ...
Authors:Christensen, J.B, Hodder, A.N, Dietrich, M.H, Scally, S.W, Cowman, A.F.
Deposit date:2021-12-21
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Structure, 30, 2022
7TBE
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BU of 7tbe by Molmil
Crystal structure of Plasmepsin X from Plasmodium vivax in complex with WM4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(R)-[(2E,4S)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)-1,3-diazinan-1-yl](phenyl)methyl]-N-[(1S)-1-phenylethyl]benzamide, Plasmepsin X, ...
Authors:Hodder, A.N, Christensen, J.B, Scally, S.W, Cowman, A.F.
Deposit date:2021-12-21
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Structure, 30, 2022
7TBC
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BU of 7tbc by Molmil
Crystal structure of Plasmepsin X from Plasmodium falciparum in complex with WM382
Descriptor: (4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Christensen, J.B, Hodder, A.N, Scally, S.W, Cowman, A.F.
Deposit date:2021-12-21
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Structure, 30, 2022
7TZJ
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BU of 7tzj by Molmil
SARS CoV-2 PLpro in complex with inhibitor 3k
Descriptor: DIMETHYL SULFOXIDE, N-[(3-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, Papain-like protease, ...
Authors:Calleja, D.J, Klemm, T, Lechtenberg, B.C, Kuchel, N.W, Lessene, G, Komander, D.
Deposit date:2022-02-15
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Insights Into Drug Repurposing, as Well as Specificity and Compound Properties of Piperidine-Based SARS-CoV-2 PLpro Inhibitors.
Front Chem, 10, 2022
6MPV
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BU of 6mpv by Molmil
Cryo-electron microscopy structure of Plasmodium falciparum Rh5/CyRPA/Ripr invasion complex
Descriptor: Cysteine-rich protective antigen, PfRipr, Reticulocyte binding protein 5
Authors:Wilson, W, Zhiheng, Y, Cowman, A.F.
Deposit date:2018-10-08
Release date:2018-12-12
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (7.17 Å)
Cite:Structure of Plasmodium falciparum Rh5-CyRPA-Ripr invasion complex.
Nature, 565, 2019
6PLH
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BU of 6plh by Molmil
FAB fragment complexed with C-mannosylated tryptophan peptide
Descriptor: Fab 5G12 heavy chain, Fab 5G12 light chain, Interleukin-21 receptor, ...
Authors:John, A, Jarva, M.A, Goddard-Borger, E.D.
Deposit date:2019-06-30
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Yeast- and antibody-based tools for studying tryptophan C-mannosylation.
Nat.Chem.Biol., 17, 2021
5FMJ
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BU of 5fmj by Molmil
Bcl-xL with mouse Bak BH3 Q75L complex
Descriptor: 1,2-ETHANEDIOL, BAK1 PROTEIN, BCL-2-LIKE PROTEIN 1
Authors:Fairlie, W.D, Lee, E.F, Smith, B.J.
Deposit date:2015-11-06
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Physiological Restraint of Bak by Bcl-Xl is Essential for Cell Survival.
Genes Dev., 30, 2016
5FMI
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BU of 5fmi by Molmil
Human Bak Q77L
Descriptor: BCL-2 HOMOLOGOUS ANTAGONIST/KILLER, ZINC ION
Authors:Fairlie, W.D, Lee, E.F, Smith, B.J.
Deposit date:2015-11-06
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.491 Å)
Cite:Physiological Restraint of Bak by Bcl-Xl is Essential for Cell Survival.
Genes Dev., 30, 2016
4WO1
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BU of 4wo1 by Molmil
Crystal structure of the DAP12 transmembrane domain in lipid cubic phase
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, TYRO protein tyrosine kinase-binding protein
Authors:Call, M.J, Call, M.E, Knoblich, K.
Deposit date:2014-10-15
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Transmembrane Complexes of DAP12 Crystallized in Lipid Membranes Provide Insights into Control of Oligomerization in Immunoreceptor Assembly.
Cell Rep, 11, 2015
4WOL
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BU of 4wol by Molmil
Crystal Structure of the DAP12 transmembrane domain in lipidic cubic phase
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, POTASSIUM ION, TYRO protein tyrosine kinase-binding protein
Authors:Call, M.J, Call, M.E, Knoblich, K.
Deposit date:2014-10-16
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Transmembrane Complexes of DAP12 Crystallized in Lipid Membranes Provide Insights into Control of Oligomerization in Immunoreceptor Assembly.
Cell Rep, 11, 2015
6UX8
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BU of 6ux8 by Molmil
Structure of monobody 33 MLKL N-terminal domain complex
Descriptor: Mixed lineage kinase domain-like protein, Monobody, ZINC ION
Authors:Birkinshaw, R.W, Petrie, E.J, Murphy, J.M.
Deposit date:2019-11-07
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of MLKL membrane translocation as a checkpoint in necroptotic cell death using Monobodies.
Proc.Natl.Acad.Sci.USA, 117, 2020
5U6V
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BU of 5u6v by Molmil
X-ray crystal structure of 1,2,3-triazolobenzodiazepine in complex with BRD2(D2)
Descriptor: 1,2-ETHANEDIOL, 5-[7-(4-chlorophenyl)-1-methyl-6,7-dihydro-5H-[1,2,3]triazolo[1,5-d][1,4]benzodiazepin-9-yl]pyridin-2-amine, Bromodomain-containing protein 2
Authors:Hatfaludi, T, Sharp, P.P, Garnier, J.-M, Burns, C.J, Czabotar, P.E.
Deposit date:2016-12-09
Release date:2017-12-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.775 Å)
Cite:Design, Synthesis, and Biological Activity of 1,2,3-Triazolobenzodiazepine BET Bromodomain Inhibitors.
ACS Med Chem Lett, 8, 2017
6XA9
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BU of 6xa9 by Molmil
SARS CoV-2 PLpro in complex with ISG15 C-terminal domain propargylamide
Descriptor: GLYCEROL, ISG15 CTD-propargylamide, Non-structural protein 3, ...
Authors:Klemm, T, Calleja, D.J, Richardson, L.W, Lechtenberg, B.C, Komander, D.
Deposit date:2020-06-04
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Mechanism and inhibition of the papain-like protease, PLpro, of SARS-CoV-2.
Embo J., 39, 2020
6XAA
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BU of 6xaa by Molmil
SARS CoV-2 PLpro in complex with ubiquitin propargylamide
Descriptor: Non-structural protein 3, Ubiquitin-propargylamide, ZINC ION
Authors:Klemm, T, Calleja, D.J, Richardson, L.W, Lechtenberg, B.C, Komander, D.
Deposit date:2020-06-04
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mechanism and inhibition of the papain-like protease, PLpro, of SARS-CoV-2.
Embo J., 39, 2020

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