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7AXS
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BU of 7axs by Molmil
Structural characterisation of WDR5:CS-VIP8 interaction in cis state 1
Descriptor: CS-VIP8, (ALQ)(4FO)R(ABA)(DPN)(EDN)(S7Z), WD repeat-containing protein 5
Authors:Werel, L, Essen, L.-O.
Deposit date:2020-11-10
Release date:2021-12-15
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Bistable Photoswitch Allows in Vivo Control of Hematopoiesis.
Acs Cent.Sci., 8, 2022
4RAC
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BU of 4rac by Molmil
Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their pro-drugs as antimalarial agents
Descriptor: Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [(2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl][(E)-2-phosphonoethenyl]amino}ethoxy)methyl]phosphonic acid
Authors:Keough, D.T, Hockova, D, Janeba, Z, Wang, T.-H, Naesens, L, Edstein, M.D, Chavchich, M, Guddat, L.W.
Deposit date:2014-09-10
Release date:2015-01-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Aza-acyclic Nucleoside Phosphonates Containing a Second Phosphonate Group As Inhibitors of the Human, Plasmodium falciparum and vivax 6-Oxopurine Phosphoribosyltransferases and Their Prodrugs As Antimalarial Agents.
J.Med.Chem., 58, 2015
4RAK
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BU of 4rak by Molmil
Crystal structure of nuclear receptor subfamily 1, group h, member 2 (lxrb) complexed with partial agonist
Descriptor: 1,4-BUTANEDIOL, 2-{2-[2-(2-chlorophenyl)propan-2-yl]-1-[3'-(methylsulfonyl)biphenyl-4-yl]-1H-imidazol-4-yl}propan-2-ol, Oxysterols receptor LXR-beta
Authors:Nanao, M.
Deposit date:2014-09-10
Release date:2014-12-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Liver X Receptor (LXR) partial agonists: Biaryl pyrazoles and imidazoles displaying a preference for LXR beta.
Bioorg.Med.Chem.Lett., 25, 2015
7E9V
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BU of 7e9v by Molmil
The Crystal Structure of human UMP-CMP kinase from Biortus.
Descriptor: SULFATE ION, UMP-CMP kinase
Authors:Wang, F, Lin, D, Wang, R, Wei, X, Shen, Z, Wang, M.
Deposit date:2021-03-05
Release date:2021-03-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Crystal Structure of human UMP-CMP kinase from Biortus.
To Be Published
7E0G
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BU of 7e0g by Molmil
Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAK-418, FAD-adduct
Descriptor: GLYCEROL, IMIDAZOLE, Lysine-specific histone demethylase 1A, ...
Authors:Oki, H.
Deposit date:2021-01-28
Release date:2021-03-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:LSD1 enzyme inhibitor TAK-418 unlocks aberrant epigenetic machinery and improves autism symptoms in neurodevelopmental disorder models.
Sci Adv, 7, 2021
2J7I
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BU of 2j7i by Molmil
ATYPICAL POLYPROLINE RECOGNITION BY THE CMS N-TERMINAL SH3 DOMAIN. CMS:CD2 HETERODIMER
Descriptor: CD2-ASSOCIATED PROTEIN, T-CELL SURFACE ANTIGEN CD2
Authors:Moncalian, G, Cardenes, N, Deribe, Y.L, Spinola-Amilibia, M, Dikic, I, Bravo, J.
Deposit date:2006-10-09
Release date:2006-11-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Atypical Polyproline Recognition by the Cms N-Terminal Src Homology 3 Domain.
J.Biol.Chem., 281, 2006
2J6K
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BU of 2j6k by Molmil
N-TERMINAL SH3 DOMAIN OF CMS (CD2AP HUMAN HOMOLOG)
Descriptor: CD2-ASSOCIATED PROTEIN, SODIUM ION
Authors:Moncalian, G, Cardenes, N, Deribe, Y.L, Spinola-Amilibia, M, Dikic, I, Bravo, J.
Deposit date:2006-09-29
Release date:2006-10-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Atypical Polyproline Recognition by the Cms N- Terminal SH3 Domain.
J.Biol.Chem., 281, 2006
4RG2
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BU of 4rg2 by Molmil
Tudor Domain of Tumor suppressor p53BP1 with small molecule ligand
Descriptor: 1,2-ETHANEDIOL, 3-bromo-N-[3-(tert-butylamino)propyl]benzamide, Tumor suppressor p53-binding protein 1, ...
Authors:Dong, A, Mader, P, James, L, Perfetti, M, Tempel, W, Frye, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2014-09-29
Release date:2014-10-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of a fragment-like small molecule ligand for the methyl-lysine binding protein, 53BP1.
ACS Chem. Biol., 10, 2015
4QUU
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BU of 4quu by Molmil
Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) complexed with Histone H4-K(ac)5
Descriptor: 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, Histone H4, ...
Authors:Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2014-07-12
Release date:2014-07-30
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Atad2 is a generalist facilitator of chromatin dynamics in embryonic stem cells.
J Mol Cell Biol, 8, 2016
2IW5
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BU of 2iw5 by Molmil
Structural Basis for CoREST-Dependent Demethylation of Nucleosomes by the Human LSD1 Histone Demethylase
Descriptor: AMMONIUM ION, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Yang, M, Gocke, C.B, Luo, X, Borek, D, Tomchick, D.R, Machius, M, Otwinowski, Z, Yu, H.
Deposit date:2006-06-26
Release date:2006-08-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Structural Basis for Corest-Dependent Demethylation of Nucleosomes by the Human Lsd1 Histone Demethylase
Mol.Cell, 23, 2006
4RAB
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BU of 4rab by Molmil
Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their pro-drugs as antimalarial agents
Descriptor: Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Keough, D.T, Hockov, D, Janeba, Z, Wang, T.-H, Naesens, L, Edstein, M.D, Chavchich, M, Guddat, L.W.
Deposit date:2014-09-10
Release date:2015-01-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.264 Å)
Cite:Aza-acyclic Nucleoside Phosphonates Containing a Second Phosphonate Group As Inhibitors of the Human, Plasmodium falciparum and vivax 6-Oxopurine Phosphoribosyltransferases and Their Prodrugs As Antimalarial Agents.
J.Med.Chem., 58, 2015
7B1T
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BU of 7b1t by Molmil
Crystal structure of BRD4(1) in complex with the inhibitor MPM6
Descriptor: 3-(5-azanyl-2-chloranyl-phenyl)-1-methyl-4,7-dihydro-2~{H}-cyclohepta[c]pyrrol-8-one, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE
Authors:Huegle, M.
Deposit date:2020-11-25
Release date:2022-06-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:A novel pan-selective bromodomain inhibitor for epigenetic drug design.
Eur.J.Med.Chem., 249, 2023
7EGG
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BU of 7egg by Molmil
TFIID lobe B subcomplex
Descriptor: Transcription initiation factor TFIID subunit 10, Transcription initiation factor TFIID subunit 12, Transcription initiation factor TFIID subunit 4, ...
Authors:Chen, X, Wu, Z, Li, J, Zhao, D, Xu, Y.
Deposit date:2021-03-24
Release date:2021-05-05
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Structural insights into preinitiation complex assembly on core promoters.
Science, 372, 2021
7EGF
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BU of 7egf by Molmil
TFIID lobe A subcomplex
Descriptor: TATA-box-binding protein, Transcription initiation factor TFIID subunit 10, Transcription initiation factor TFIID subunit 11, ...
Authors:Chen, X, Wu, Z, Li, J, Zhao, D, Xu, Y.
Deposit date:2021-03-24
Release date:2021-05-05
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Structural insights into preinitiation complex assembly on core promoters.
Science, 2021
7A1F
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BU of 7a1f by Molmil
Crystal structure of human 5' exonuclease Appollo in complex with 5'dAMP
Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, 5' exonuclease Apollo, FE (III) ION, ...
Authors:Newman, J.A, Baddock, H.T, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, von Delft, F, Arrowshmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2020-08-12
Release date:2021-01-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A phosphate binding pocket is a key determinant of exo- versus endo-nucleolytic activity in the SNM1 nuclease family.
Nucleic Acids Res., 49, 2021
6ZN6
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BU of 6zn6 by Molmil
Protein polybromo-1 (PB1 BD2) Bound To MW278
Descriptor: 1,2-ETHANEDIOL, 2-[6-azanyl-5-[(3~{R})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol, Protein polybromo-1
Authors:Preuss, F, Mathea, S, Chatterjee, D, Wanior, M, Joerger, A.C, Knapp, S.
Deposit date:2020-07-06
Release date:2020-08-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis.
J.Med.Chem., 63, 2020
6ZNO
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BU of 6zno by Molmil
The pointed end complex of dynactin with the p150 projection docked
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ARP1 actin related protein 1 homolog A, ...
Authors:Lau, C.K, Lacey, S.E, Carter, A.P.
Deposit date:2020-07-06
Release date:2020-07-29
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (6.8 Å)
Cite:Cryo-EM reveals the complex architecture of dynactin's shoulder region and pointed end.
Embo J., 40, 2021
6ZME
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BU of 6zme by Molmil
SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-eERF1 ribosome complex
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
Authors:Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R.
Deposit date:2020-07-02
Release date:2020-08-12
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
6ZOK
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BU of 6zok by Molmil
SARS-CoV-2-Nsp1-40S complex, focused on body
Descriptor: 18S ribosomal RNA, 40S ribosomal protein S11, 40S ribosomal protein S13, ...
Authors:Schubert, K, Karousis, E.D, Jomaa, A, Scaiola, A, Echeverria, B, Gurzeler, L.-A, Leibundgut, M, Thiel, V, Muehlemann, O, Ban, N.
Deposit date:2020-07-07
Release date:2020-07-29
Last modified:2021-02-10
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:SARS-CoV-2 Nsp1 binds the ribosomal mRNA channel to inhibit translation.
Nat.Struct.Mol.Biol., 27, 2020
4RAQ
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BU of 4raq by Molmil
Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their pro-drugs as antimalarial agents
Descriptor: Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [(2-{[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](2-phosphonoethyl)amino}ethoxy)methyl]phosphonic acid
Authors:Keough, D.T, Hockova, D, Janeba, Z, Wang, T.-H, Naesens, L, Edstein, M.D, Chavchich, M, Guddat, L.W.
Deposit date:2014-09-10
Release date:2015-01-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Aza-acyclic Nucleoside Phosphonates Containing a Second Phosphonate Group As Inhibitors of the Human, Plasmodium falciparum and vivax 6-Oxopurine Phosphoribosyltransferases and Their Prodrugs As Antimalarial Agents.
J.Med.Chem., 58, 2015
6ZRC
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BU of 6zrc by Molmil
Structure of the human RBAP48 in complex with a macrocyclic peptide cyclized via a xylene linker attached to two cysteines
Descriptor: Histone-binding protein RBBP4, PARA-XYLENE, macrocyclic peptide based on residues 659-672 of the metastasis-associated protein MTA1
Authors:Vetter, I.R, Porfetye, A.T.
Deposit date:2020-07-13
Release date:2020-10-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure Based Design of Bicyclic Peptide Inhibitors of RbAp48.
Angew.Chem.Int.Ed.Engl., 60, 2021
4QX8
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BU of 4qx8 by Molmil
Crystal structure of histone demethylase kdm2a-h3k36me3 complex with alpha-kg
Descriptor: 2-OXOGLUTARIC ACID, Histone H3.2, Lysine-specific demethylase 2A, ...
Authors:Cheng, Z.J, Patel, D.J.
Deposit date:2014-07-19
Release date:2014-11-05
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A molecular threading mechanism underlies Jumonji lysine demethylase KDM2A regulation of methylated H3K36.
Genes Dev., 28, 2014
6ZRD
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BU of 6zrd by Molmil
STRUCTURE OF THE HUMAN RBAP48 in complex with a macrocyclic peptide cyclized via a xylene linker attached to two cysteines
Descriptor: 1,3,5-trimethylbenzene, Histone-binding protein RBBP4, macrocyclic peptide based on residues 659-672 of the metastasis-associated protein MTA1
Authors:Vetter, I.R, Porfetye, A.T.
Deposit date:2020-07-13
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure Based Design of Bicyclic Peptide Inhibitors of RbAp48.
Angew.Chem.Int.Ed.Engl., 60, 2021
6ZS3
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BU of 6zs3 by Molmil
Crystal structure of the fifth bromodomain of human protein polybromo-1 in complex with 2-(6-amino-5-(piperazin-1-yl)pyridazin-3-yl)phenol
Descriptor: 1,2-ETHANEDIOL, 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol, Protein polybromo-1
Authors:Preuss, F, Joerger, A.C, Wanior, M, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-07-15
Release date:2020-10-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis.
J.Med.Chem., 63, 2020
2HGM
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BU of 2hgm by Molmil
NMR structure of the second qRRM domain of human hnRNP F
Descriptor: Heterogeneous nuclear ribonucleoprotein F
Authors:Dominguez, C, Allain, F.H.-T.
Deposit date:2006-06-27
Release date:2006-07-11
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:NMR structure of the three quasi RNA recognition motifs (qRRMs) of human hnRNP F and interaction studies with Bcl-x G-tract RNA: a novel mode of RNA recognition.
Nucleic Acids Res., 34, 2006

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