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7ZVX
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BU of 7zvx by Molmil
Crystal structure of human Annexin A2 in complex with full phosphorothioate 5-10 2'-methoxyethyl DNA gapmer antisense oligonucleotide solved at 2.4 A resolution
Descriptor: 1,2-ETHANEDIOL, 2'-methoxyethyl DNA gapmer antisense oligonucleotide, Annexin A2, ...
Authors:Hyjek-Skladanowska, M, Anderson, B, Mykhaylyk, V, Orr, C, Wagner, A, Skowronek, K, Seth, P, Nowotny, M.
Deposit date:2022-05-17
Release date:2022-09-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of annexin A2-PS DNA complexes show dominance of hydrophobic interactions in phosphorothioate binding.
Nucleic Acids Res., 51, 2023
7ZVN
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BU of 7zvn by Molmil
Crystal structure of human Annexin A2 in complex with full phosphorothioate 5-10 2'-methoxyethyl DNA gapmer antisense oligonucleotide solved at 1.87 A resolution
Descriptor: 2'-methoxyethyl DNA gapmer antisense oligonucleotide, Annexin A2, CALCIUM ION, ...
Authors:Hyjek-Skladanowska, M, Anderson, B, Mykhaylyk, V, Orr, C, Wagner, A, Skowronek, K, Seth, P, Nowotny, M.
Deposit date:2022-05-16
Release date:2022-09-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structures of annexin A2-PS DNA complexes show dominance of hydrophobic interactions in phosphorothioate binding.
Nucleic Acids Res., 51, 2023
7L5E
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BU of 7l5e by Molmil
Crystal Structure of KPT-330 bound to CRM1 (537-DLTVK-541 to GLCEQ)
Descriptor: Exportin-1, GLYCEROL, GTP-binding nuclear protein Ran, ...
Authors:Baumhardt, J.M, Chook, Y.M.
Deposit date:2020-12-21
Release date:2021-01-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.944 Å)
Cite:Recurrent XPO1 mutations alter pathogenesis of chronic lymphocytic leukemia.
J Hematol Oncol, 14, 2021
7KK5
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BU of 7kk5 by Molmil
Structure of the catalytic domain of PARP1 in complex with niraparib
Descriptor: 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
Authors:Gajiwala, K.S, Ryan, K.
Deposit date:2020-10-27
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
J.Biol.Chem., 296, 2021
2KIZ
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BU of 2kiz by Molmil
Solution structure of Arkadia RING-H2 finger domain
Descriptor: E3 ubiquitin-protein ligase Arkadia, ZINC ION
Authors:Kandias, N.G, Chasapis, C.T, Bentrop, D, Episkopou, V, Spyroulias, G.A.
Deposit date:2009-05-13
Release date:2010-05-19
Last modified:2013-03-20
Method:SOLUTION NMR
Cite:NMR-based insights into the conformational and interaction properties of Arkadia RING-H2 E3 Ub ligase.
Proteins, 80, 2012
6GWS
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BU of 6gws by Molmil
Crystal structure of human PCNA in complex with three p15 peptides
Descriptor: PCNA-associated factor, Proliferating cell nuclear antigen
Authors:De March, M, Merino, N, Gonzalez-Magana, A, Romano-Moreno, M, Onesti, S, Blanco, F.J, De Biasio, A.
Deposit date:2018-06-25
Release date:2018-08-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:p15PAF binding to PCNA modulates the DNA sliding surface.
Nucleic Acids Res., 46, 2018
7VB2
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BU of 7vb2 by Molmil
Solution structure of human ribosomal protein uL11
Descriptor: 60S ribosomal protein L12
Authors:Lee, K.M, Wong, K.B.
Deposit date:2021-08-30
Release date:2022-04-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The flexible N-terminal motif of uL11 unique to eukaryotic ribosomes interacts with P-complex and facilitates protein translation.
Nucleic Acids Res., 50, 2022
6H0F
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BU of 6h0f by Molmil
Structure of DDB1-CRBN-pomalidomide complex bound to IKZF1(ZF2)
Descriptor: DNA damage-binding protein 1,DNA damage-binding protein 1,DNA damage-binding protein 1,DNA damage-binding protein 1, DNA-binding protein Ikaros, Protein cereblon, ...
Authors:Petzold, G, Bunker, R.D, Thoma, N.H.
Deposit date:2018-07-09
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Defining the human C2H2 zinc finger degrome targeted by thalidomide analogs through CRBN.
Science, 362, 2018
6GRA
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BU of 6gra by Molmil
Human AURKA bound to BRD-7880
Descriptor: 1-[(2~{R},3~{S})-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-6-oxidanylidene-5-[(2~{S})-1-oxidanylpropan-2-yl]-3,4-dihydro-2~{H}-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea, Aurora kinase A
Authors:Abdul Azeez, K.R, Sorrell, F.J, von Delft, F, Bountra, C, Knapp, S, Edwards, A.M, Arrowsmith, C, Elkins, J.M.
Deposit date:2018-06-10
Release date:2019-05-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Aurora kinase A bound to BRD-7880
To Be Published
5Z1T
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BU of 5z1t by Molmil
Crystal Structure Analysis of the BRD4(1)
Descriptor: 1,2-ETHANEDIOL, 5-bromo-N-(6-hydroxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ...
Authors:Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C.
Deposit date:2017-12-28
Release date:2019-01-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Acs Med.Chem.Lett., 9, 2018
5Z8Z
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BU of 5z8z by Molmil
BRD4 Bromodomain 1 with an inhibitor
Descriptor: 6-[(3S)-3-azanylpiperidin-1-yl]sulfonyl-1-ethyl-benzo[cd]indol-2-one, Bromodomain-containing protein 4
Authors:Xiao, S, Chen, S, Chen, H.
Deposit date:2018-02-01
Release date:2019-02-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:BRD4 Bromodomain 1 with an inhibitor
To Be Published
8BEB
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BU of 8beb by Molmil
Ternary complex between VCB, BRD4-BD1 and PROTAC 49
Descriptor: (2~{S},4~{R})-~{N}-[(1~{S})-3-[4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]butylamino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxidanylidene-propyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, Elongin-B, ...
Authors:Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A.
Deposit date:2022-10-21
Release date:2023-02-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
8BDS
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BU of 8bds by Molmil
Ternary complex between VCB, BRD4-BD1 and PROTAC 48
Descriptor: (2S,4R)-N-[(1S)-1-(4-chlorophenyl)-3-[2-[2-[2-[2-[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8$l^{5},11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxidanylidene-propyl]-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ...
Authors:Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A.
Deposit date:2022-10-20
Release date:2023-02-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
6ER0
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BU of 6er0 by Molmil
6th KOW domain of human hSpt5
Descriptor: Transcription elongation factor SPT5
Authors:Hahn, L, Schweimer, K, Roesch, P, Woehrl, B.M.
Deposit date:2017-10-16
Release date:2018-10-31
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure and nucleic acid binding properties of KOW domains 4 and 6-7 of human transcription elongation factor DSIF.
Sci Rep, 8, 2018
6EOB
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BU of 6eob by Molmil
Crystal structure of AMPylated GRP78 in apo form (Crystal form 1)
Descriptor: 78 kDa glucose-regulated protein, PHOSPHATE ION
Authors:Yan, Y, Preissler, S, Ron, D, Read, R.J.
Deposit date:2017-10-09
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:AMPylation targets the rate-limiting step of BiP's ATPase cycle for its functional inactivation.
Elife, 6, 2017
8B5L
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BU of 8b5l by Molmil
Cryo-EM structure of ribosome-Sec61-TRAP (TRanslocon Associated Protein) translocon complex
Descriptor: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Pauwels, E, Shewakramani, N.R, De Wijngaert, B, Vermeire, K, Das, K.
Deposit date:2022-09-23
Release date:2023-03-01
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Structural insights into TRAP association with ribosome-Sec61 complex and translocon inhibition by a CADA derivative.
Sci Adv, 9, 2023
5ZPU
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BU of 5zpu by Molmil
LFS829 in complex with CRM1-Ran-RanBP1
Descriptor: (Z)-{[(3E)-4-{(R)-[3,5-bis(trifluoromethyl)phenyl]sulfinyl}but-3-en-1-yl]imino}methanethiol, CHLORIDE ION, Exportin-1,Exportin-1, ...
Authors:Sun, Q, Lei, Y.
Deposit date:2018-04-16
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:To be published
To Be Published
6EIN
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BU of 6ein by Molmil
Crystal structure of KDM5B in complex with S49365a.
Descriptor: 1,2-ETHANEDIOL, 8-[4-[2-(4-propanoylpiperazin-1-yl)ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, Lysine-specific demethylase 5B,Lysine-specific demethylase 5B, ...
Authors:Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F.
Deposit date:2017-09-19
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystal structure of KDM5B in complex with S49365a.
To Be Published
7KRJ
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BU of 7krj by Molmil
The GR-Maturation Complex: Glucocorticoid Receptor in complex with Hsp90 and co-chaperone p23
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DEXAMETHASONE, Glucocorticoid receptor, ...
Authors:Noddings, C.M, Wang, Y.-R, Agard, D.A.
Deposit date:2020-11-20
Release date:2022-01-12
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.56 Å)
Cite:Structure of Hsp90-p23-GR reveals the Hsp90 client-remodelling mechanism.
Nature, 601, 2021
2HKO
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BU of 2hko by Molmil
Crystal structure of LSD1
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1
Authors:Chen, Y, Yang, Y.T, Wang, F, Yanane, K, Zhang, Y, Lei, M.
Deposit date:2006-07-05
Release date:2006-08-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of human histone lysine-specific demethylase 1 (LSD1).
Proc.Natl.Acad.Sci.Usa, 103, 2006
6H0G
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BU of 6h0g by Molmil
Structure of the DDB1-CRBN-pomalidomide complex bound to ZNF692(ZF4)
Descriptor: DNA damage-binding protein 1,DNA damage-binding protein 1,DNA damage-binding protein 1,DDB1 (DNA damage binding protein 1),DNA damage-binding protein 1,DNA damage-binding protein 1,DNA damage-binding protein 1, Protein cereblon, S-Pomalidomide, ...
Authors:Bunker, R.D, Petzold, G, Thoma, N.H.
Deposit date:2018-07-09
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (4.25 Å)
Cite:Defining the human C2H2 zinc finger degrome targeted by thalidomide analogs through CRBN.
Science, 362, 2018
6GHK
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BU of 6ghk by Molmil
Human PARP1 (ARTD1) - Catalytic domain in complex with inhibitor ME0527
Descriptor: Poly [ADP-ribose] polymerase 1, SULFATE ION, ~{N}-[(1~{R})-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-oxidanylidene-1~{H}-quinazolin-2-yl)propanamide
Authors:Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Moche, M, Brock, J, Ekblad, T, Spjut, S, Elofsson, M, Schuler, H.
Deposit date:2018-05-08
Release date:2019-05-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Human PARP1 (ARTD1) - Catalytic domain in complex with inhibitor ME0527
To Be Published
6GJR
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BU of 6gjr by Molmil
Cyclophilin A complexed with tri-vector ligand 9.
Descriptor: Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]carbamoyl]amino]ethanoate
Authors:Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J.
Deposit date:2018-05-16
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors.
Chem Sci, 10, 2019
6GJY
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BU of 6gjy by Molmil
Cyclophilin A complexed with tri-vector ligand 5.
Descriptor: Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-prop-2-ynyl-carbamoyl]amino]ethanoate
Authors:Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J.
Deposit date:2018-05-17
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors.
Chem Sci, 10, 2019
5Z9C
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BU of 5z9c by Molmil
Solution NMR structures of BRD4 first bromodomain with small compound MMQO
Descriptor: 8-methoxy-6-methylquinolin-4(1H)-one, Bromodomain-containing protein 4
Authors:Zeng, L, Zhou, M.-M.
Deposit date:2018-02-02
Release date:2018-02-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A New Quinoline BRD4 Inhibitor Targets a Distinct Latent HIV-1 Reservoir for Reactivation from Other "Shock" Drugs.
J. Virol., 92, 2018

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