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8FJN
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BU of 8fjn by Molmil
Crystal Structure of the Trypanosoma brucei DOT1A histone H3K76 methyltransferase in complex with AdoHcy - C2221 space group
Descriptor: CALCIUM ION, CHLORIDE ION, Histone-lysine N-methyltransferase, ...
Authors:Frisbie, V.S, Hashimoto, H, Debler, E.W.
Deposit date:2022-12-20
Release date:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and Mechanism of the atypical Trypanosoma brucei DOT1A histone H3K76 methyltransferase
To Be Published
8FJM
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BU of 8fjm by Molmil
Crystal Structure of the Trypanosoma brucei DOT1A histone H3K76 methyltransferase in complex with AdoHcy - P212121 space group
Descriptor: ACETATE ION, CALCIUM ION, Histone-lysine N-methyltransferase, ...
Authors:Frisbie, V.S, Hashimoto, H, Debler, E.W.
Deposit date:2022-12-20
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and Mechanism of the atypical Trypanosoma brucei DOT1A histone H3K76 methyltransferase
To Be Published
5K5T
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BU of 5k5t by Molmil
Crystal structure of the inactive form of human calcium-sensing receptor extracellular domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Extracellular calcium-sensing receptor, ...
Authors:Geng, Y, Mosyak, L, Kurinov, I, Zuo, H, Sturchler, E, Cheng, T.C, Subramanyam, P, Brown, A.P, Brennan, S.C, Mun, H.-C, Bush, M, Chen, Y, Nguyen, T, Cao, B, Chang, D, Quick, M, Conigrave, A, Colecraft, H.M, McDonald, P, Fan, Q.R.
Deposit date:2016-05-23
Release date:2016-08-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural mechanism of ligand activation in human calcium-sensing receptor.
Elife, 5, 2016
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
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:2020-07-29
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
8UF5
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BU of 8uf5 by Molmil
Catalytic domain of GtfB in complex with inhibitor G43
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
Authors:Schormann, N, Deivanayagam, C, Velu, S.
Deposit date:2023-10-03
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Based Discovery of Small Molecule Inhibitors of Cariogenic Virulence.
Sci Rep, 7, 2017
4KG9
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BU of 4kg9 by Molmil
Crystal Structure Of USP7-NTD with MCM-BP
Descriptor: Mini-chromosome maintenance complex-binding protein, Ubiquitin carboxyl-terminal hydrolase 7
Authors:Saridakis, V, Luthra, N.
Deposit date:2013-04-29
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A role for USP7 in DNA replication.
Mol.Cell.Biol., 34, 2014
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
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
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:2023-09-27
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:2023-09-27
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
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:2023-12-27
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:2023-12-27
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
3MJW
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BU of 3mjw by Molmil
PI3 Kinase gamma with a benzofuranone inhibitor
Descriptor: (2Z)-4,6-dihydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3(2H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Bard, J, Svenson, K.
Deposit date:2010-04-13
Release date:2010-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:5-Ureidobenzofuranone indoles as potent and efficacious inhibitors of PI3 kinase-alpha and mTOR for the treatment of breast cancer.
Bioorg.Med.Chem.Lett., 20, 2010
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:2020-07-29
Method:X-RAY DIFFRACTION (3.99 Å)
Cite:Structural basis for potent antibody-mediated neutralization of human cytomegalovirus.
Sci Immunol, 2, 2017
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
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
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:2023-06-14
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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PDB entries from 2024-07-10

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