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6MCY
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BU of 6mcy by Molmil
Crystal structure of mouse Bak
Descriptor: 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, FORMIC ACID
Authors:Brouwer, J.M, Czabotar, P.E, Colman, P.M.
Deposit date:2018-09-03
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.748 Å)
Cite:A small molecule interacts with VDAC2 to block mouse BAK-driven apoptosis.
Nat.Chem.Biol., 15, 2019
8C7Y
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BU of 8c7y by Molmil
Crystal structure of BRAF V600E in complex with a hybrid compound 6
Descriptor: 1,2-ETHANEDIOL, NITRATE ION, Serine/threonine-protein kinase B-raf, ...
Authors:Chaikuad, A, Bonnet, P, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-01-17
Release date:2023-02-22
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Design, synthesis and characterisation of a novel type II B-RAF paradox breaker inhibitor.
Eur.J.Med.Chem., 250, 2023
8C7X
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BU of 8c7x by Molmil
Crystal structure of BRAF in complex with a hybrid compound 6
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, Serine/threonine-protein kinase B-raf, ...
Authors:Chaikuad, A, Bonnet, P, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-01-17
Release date:2023-02-22
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Design, synthesis and characterisation of a novel type II B-RAF paradox breaker inhibitor.
Eur.J.Med.Chem., 250, 2023
5VOC
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BU of 5voc by Molmil
Crystal structure of HCMV Pentamer in complex with neutralizing antibody 8I21 - Low resolution dataset for initial phasing by SAD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein H, Envelope glycoprotein L, ...
Authors:Malito, E, Chandramouli, S.
Deposit date:2017-05-02
Release date:2017-07-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.99 Å)
Cite:Structural basis for potent antibody-mediated neutralization of human cytomegalovirus.
Sci Immunol, 2, 2017
5VOB
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BU of 5vob by Molmil
Crystal structure of HCMV Pentamer in complex with neutralizing antibody 8I21
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein H, Envelope glycoprotein L, ...
Authors:Malito, E, Chandramouli, S.
Deposit date:2017-05-02
Release date:2017-07-05
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Structural basis for potent antibody-mediated neutralization of human cytomegalovirus.
Sci Immunol, 2, 2017
5VOD
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BU of 5vod by Molmil
Crystal structure of HCMV Pentamer in complex with neutralizing antibody 9I6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein H, Envelope glycoprotein L, ...
Authors:Malito, E, Chandramouli, S.
Deposit date:2017-05-02
Release date:2017-07-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (5.9 Å)
Cite:Structural basis for potent antibody-mediated neutralization of human cytomegalovirus.
Sci Immunol, 2, 2017
4WNM
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BU of 4wnm by Molmil
SYK catalytic domain in complex with a potent triazolopyridine inhibitor
Descriptor: N~3~-(tetrahydro-2H-pyran-4-yl)-N~6~-[5-(tetrahydro-2H-pyran-4-ylmethyl)[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-indazole-3,6-diamine, SULFATE ION, Tyrosine-protein kinase SYK
Authors:Jackson, P.J.
Deposit date:2014-10-13
Release date:2016-01-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Novel Triazolopyridine-Based Spleen Tyrosine Kinase Inhibitor That Arrests Joint Inflammation.
Plos One, 11, 2016
4XHJ
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BU of 4xhj by Molmil
gHgL of Varicella-zoster virus in complex with human neutralizing antibodies.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein H, ...
Authors:Xing, Y.
Deposit date:2015-01-05
Release date:2015-05-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.156 Å)
Cite:A site of varicella-zoster virus vulnerability identified by structural studies of neutralizing antibodies bound to the glycoprotein complex gHgL.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XI5
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BU of 4xi5 by Molmil
gHgL of varicella-zoster virus in complex with human neutralizing antibodies
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein H, Envelope glycoprotein L, ...
Authors:Xing, Y.
Deposit date:2015-01-06
Release date:2015-05-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:A site of varicella-zoster virus vulnerability identified by structural studies of neutralizing antibodies bound to the glycoprotein complex gHgL.
Proc.Natl.Acad.Sci.USA, 112, 2015
9H1L
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BU of 9h1l by Molmil
Methyl-coenzyme M reductase activation complex binding to the A2 component after incubation with ATP
Descriptor: 1-THIOETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Coenzyme B, ...
Authors:Ramirez-Amador, F, Paul, S, Kumar, A, Schuller, J.M.
Deposit date:2024-10-09
Release date:2025-02-26
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.14 Å)
Cite:Structure of the ATP-driven methyl-coenzyme M reductase activation complex.
Nature, 642, 2025
5IWL
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BU of 5iwl by Molmil
CD47-diabody complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5F9 diabody, Leukocyte surface antigen CD47, ...
Authors:Di, W, Jude, K.M, Garcia, K.C.
Deposit date:2016-03-22
Release date:2016-06-29
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:CD47-blocking immunotherapies stimulate macrophage-mediated destruction of small-cell lung cancer.
J.Clin.Invest., 126, 2016
4TPP
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BU of 4tpp by Molmil
2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors
Descriptor: 1-[4-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}quinoxalin-2-yl)piperidin-1-yl]ethanone, GLYCEROL, SULFATE ION, ...
Authors:Chmait, S.
Deposit date:2014-06-09
Release date:2014-12-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Synthesis and preliminary biological evaluation of potent and selective 2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors with improved solubility.
Bioorg.Med.Chem., 22, 2014
4TPM
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BU of 4tpm by Molmil
Crystal structure of 2-(3-alkoxy-1-azetidinyl) quinolines as PDE10A Inhibitors
Descriptor: GLYCEROL, SULFATE ION, ZINC ION, ...
Authors:Chmait, S.
Deposit date:2014-06-08
Release date:2014-12-17
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Synthesis and preliminary biological evaluation of potent and selective 2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors with improved solubility.
Bioorg.Med.Chem., 22, 2014
4QYJ
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BU of 4qyj by Molmil
Structure of Phenylacetaldehyde Dehydrogenase from Pseudomonas putida S12
Descriptor: Aldehyde dehydrogenase
Authors:Crabo, A.G, Gassner, G.T, Sazinsky, M.H.
Deposit date:2014-07-24
Release date:2015-08-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Structure and biochemistry of phenylacetaldehyde dehydrogenase from the Pseudomonas putida S12 styrene catabolic pathway.
Arch.Biochem.Biophys., 616, 2017
2LBH
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BU of 2lbh by Molmil
Solution Structure of the Dimeric Form of a Unliganded Bovine Neurophysin, Minimized Average Structure
Descriptor: Neurophysin 1
Authors:Lee, H, Naik, M, Nguyen, T, Bracken, C, Breslow, E.
Deposit date:2011-03-31
Release date:2012-04-04
Last modified:2024-11-20
Method:SOLUTION NMR
Cite:Structural Basis of the Dimerization-Induced Increase in Neurophysin-Hormone Affinity: Interplay of Inter-Domain and Inter-Subunit Interactions
To be Published
2LBN
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BU of 2lbn by Molmil
(Revised) Solution structure of the monomeric form of a mutant unliganded bovine neurophysin, 20 structures
Descriptor: Neurophysin 1
Authors:Lee, H, Nguyen, T, Bracken, C, Breslow, E.
Deposit date:2011-04-01
Release date:2012-04-04
Last modified:2024-11-20
Method:SOLUTION NMR
Cite:Structural Basis of the Dimerization-Induced Increase in Neurophysin-Hormone Affinity: Interplay of Inter-Domain and Inter-Subunit Interactions
To be Published
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