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4BUW
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BU of 4buw by Molmil
Crystal structure of human tankyrase 2 in complex with 2-(4-(2-oxo-1, 3-oxazolidin-3-yl)phenyl)-3,4-dihydroquinazolin-4-one
Descriptor: 2-[4-(2-OXO-1,3-OXAZOLIDIN-3-YL)PHENYL]-3,4-DIHYDROQUINAZOLIN-4-ONE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Haikarainen, T, Narwal, M, Lehtio, L.
Deposit date:2013-06-24
Release date:2013-10-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
4BTF
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BU of 4btf by Molmil
Structure of MLKL
Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, MIXED LINEAGE KINASE DOMAIN-LIKE PROTEIN
Authors:Czabotar, P.E, Murphy, J.M.
Deposit date:2013-06-16
Release date:2013-09-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.604 Å)
Cite:The Pseudokinase Mlkl Mediates Necroptosis Via a Molecular Switch Mechanism
Immunity, 39, 2013
6B46
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BU of 6b46 by Molmil
Cryo-EM structure of Type I-F CRISPR crRNA-guided Csy surveillance complex with bound anti-CRISPR protein AcrF1
Descriptor: Anti-CRISPR protein AcrF1, CRISPR-associated endonuclease Cas6/Csy4, CRISPR-associated protein Csy3, ...
Authors:Guo, T.W, Bartesaghi, A, Yang, H, Falconieri, V, Rao, P, Merk, A, Fox, T, Earl, L, Patel, D.J, Subramaniam, S.
Deposit date:2017-09-25
Release date:2017-10-18
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM Structures Reveal Mechanism and Inhibition of DNA Targeting by a CRISPR-Cas Surveillance Complex.
Cell, 171, 2017
4EER
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BU of 4eer by Molmil
Crystal structure of LOV2 domain of Arabidopsis thaliana phototropin 2 C426A mutant
Descriptor: FLAVIN MONONUCLEOTIDE, Phototropin-2
Authors:Hitomi, K, Christie, J.M, Arvai, A.S, Hartfield, K.A, Pratt, A.J, Tainer, J.A, Getzoff, E.D.
Deposit date:2012-03-28
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.753 Å)
Cite:Structural Tuning of the Fluorescent Protein iLOV for Improved Photostability.
J.Biol.Chem., 287, 2012
7BLC
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BU of 7blc by Molmil
BAZ2A bromodomain in complex with compound UP39
Descriptor: Bromodomain adjacent to zinc finger domain protein 2A, methyl 5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-2-(2-piperazin-1-ylethoxy)benzoate
Authors:Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
Deposit date:2021-01-18
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Chemical probes in the BAZ2A bromodomain
to be published
4EH7
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BU of 4eh7 by Molmil
Human p38 MAP kinase in complex with NP-F6 and RL87
Descriptor: (3-phenoxyphenyl)methanol, Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine
Authors:Over, B, Gruetter, C, Waldmann, H, Rauh, D.
Deposit date:2012-04-02
Release date:2012-12-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
7BL8
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BU of 7bl8 by Molmil
BAZ2A bromodomain in complex with the chemical probe BAZ2-ICR
Descriptor: 4-[5-(1-methylpyrazol-4-yl)-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]benzenecarbonitrile, Bromodomain adjacent to zinc finger domain protein 2A
Authors:Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
Deposit date:2021-01-18
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Chemical probes in the BAZ2A bromodomain
to be published
7BLB
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BU of 7blb by Molmil
BAZ2A bromodomain in complex with GSK4027 chemical probe
Descriptor: 4-bromo-2-methyl-5-[[(3~{R},5~{R})-1-methyl-5-phenyl-piperidin-3-yl]amino]pyridazin-3-one, Bromodomain adjacent to zinc finger domain protein 2A
Authors:Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
Deposit date:2021-01-18
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Chemical probes in the BAZ2A bromodomain
to be published
6G4W
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BU of 6g4w by Molmil
Cryo-EM structure of a late human pre-40S ribosomal subunit - State A
Descriptor: 18S ribosomal RNA, 40S ribosomal protein S11, 40S ribosomal protein S13, ...
Authors:Ameismeier, M, Cheng, J, Berninghausen, O, Beckmann, R.
Deposit date:2018-03-28
Release date:2018-06-06
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Visualizing late states of human 40S ribosomal subunit maturation.
Nature, 558, 2018
7LUP
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BU of 7lup by Molmil
Human TRiC/CCT complex with reovirus outer capsid protein sigma-3
Descriptor: Outer capsid protein sigma-3, T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, ...
Authors:Knowlton, J.J, Gestaut, D, Ma, B, Taylor, G, Seven, A.B, Leitner, A, Wilson, G.J, Shanker, S, Yates, N.A, Prasad, B.V.V, Aebersold, R, Chiu, W, Frydman, J, Dermody, T.S.
Deposit date:2021-02-22
Release date:2021-03-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Structural and functional dissection of reovirus capsid folding and assembly by the prefoldin-TRiC/CCT chaperone network.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LUM
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BU of 7lum by Molmil
Human TRiC in ATP/AlFx closed state
Descriptor: T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, T-complex protein 1 subunit delta, ...
Authors:Knowlton, J.J, Gestaut, D, Ma, B, Taylor, G, Seven, A.B, Leitner, A, Wilson, G.J, Shanker, S, Yates, N.A, Prasad, B.V.V, Aebersold, R, Chiu, W, Frydman, J, Dermody, T.S.
Deposit date:2021-02-22
Release date:2021-03-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural and functional dissection of reovirus capsid folding and assembly by the prefoldin-TRiC/CCT chaperone network.
Proc.Natl.Acad.Sci.USA, 118, 2021
2Q2Z
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BU of 2q2z by Molmil
Crystal Structure of KSP in Complex with Inhibitor 22
Descriptor: 1-[(4R)-4-[3-(4-ACETYLPIPERAZIN-1-YL)PROPYL]-1-(2-FLUORO-5-METHYLPHENYL)-4-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-3-YL]ETHANONE, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ...
Authors:Yan, Y.
Deposit date:2007-05-29
Release date:2007-09-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Kinesin spindle protein (KSP) inhibitors. Part 8: Design and synthesis of 1,4-diaryl-4,5-dihydropyrazoles as potent inhibitors of the mitotic kinesin KSP.
Bioorg.Med.Chem.Lett., 17, 2007
5ALC
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BU of 5alc by Molmil
Ticagrelor antidote candidate Fab 72 in complex with ticagrelor
Descriptor: ANTI-TICAGRELOR FAB 72, HEAVY CHAIN, LIGHT CHAIN, ...
Authors:Buchanan, A, Newton, P, Pehrsson, S, Inghardt, T, Antonsson, T, Svensson, P, Sjogren, T, Oster, L, Janefeldt, A, Sandinge, A, Keyes, F, Austin, M, Spooner, J, Penney, M, Howells, G, Vaughan, T, Nylander, S.
Deposit date:2015-03-07
Release date:2015-04-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and Functional Characterisation of a Specific Antidote for Ticagrelor.
Blood, 125, 2015
6G51
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BU of 6g51 by Molmil
Cryo-EM structure of a late human pre-40S ribosomal subunit - State D
Descriptor: 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
Authors:Ameismeier, M, Cheng, J, Berninghausen, O, Beckmann, R.
Deposit date:2018-03-28
Release date:2018-06-06
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Visualizing late states of human 40S ribosomal subunit maturation.
Nature, 558, 2018
6JSJ
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BU of 6jsj by Molmil
Structural analysis of a trimeric assembly of the mitochondrial dynamin-like GTPase Mgm1
Descriptor: Dynamin-like GTPase MGM1, mitochondrial, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Yan, L, Li, L.
Deposit date:2019-04-08
Release date:2020-02-19
Last modified:2020-03-11
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural analysis of a trimeric assembly of the mitochondrial dynamin-like GTPase Mgm1.
Proc.Natl.Acad.Sci.USA, 117, 2020
2ELB
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BU of 2elb by Molmil
Crystal Structure of the BAR-PH domain of human APPL1
Descriptor: Adapter protein containing PH domain, PTB domain and leucine zipper motif 1
Authors:Li, J, Mao, X, Dong, L.Q, Liu, F, Tong, L.
Deposit date:2007-03-27
Release date:2007-05-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structures of the BAR-PH and PTB Domains of Human APPL1
Structure, 15, 2007
4DZP
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BU of 4dzp by Molmil
Crystal structure of the terminase small subunit gp1 with R48A mutation of the bacterial virus sf6
Descriptor: Gene 1 protein
Authors:Zhao, H, Tang, L.
Deposit date:2012-03-01
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Functional Studies of the Phage Sf6 Terminase Small Subunit Reveal a DNA-Spooling Device Facilitated by Structural Plasticity.
J.Mol.Biol., 423, 2012
2E29
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BU of 2e29 by Molmil
Solution structure of the GUCT domain from human ATP-dependent RNA helicase DDX50, DEAD box protein 50
Descriptor: ATP-dependent RNA helicase DDX50
Authors:Ohnishi, S, Paakkonen, K, Guntert, P, Sato, M, Koshiba, S, Harada, T, Watanabe, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-11-10
Release date:2007-05-15
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the GUCT domain from human RNA helicase II/Gubeta reveals the RRM fold, but implausible RNA interactions
Proteins, 74, 2008
6K3Z
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BU of 6k3z by Molmil
Crystal structure of dCas9 in complex with sgRNA and DNA (TGA PAM)
Descriptor: CRISPR-associated endonuclease Cas9, DNA (28-MER), DNA (5'-D(*AP*AP*AP*TP*GP*AP*TP*AP*TP*TP*G)-3'), ...
Authors:Chen, W, Zhang, H, Zhang, Y, Wang, Y, Gan, J, Ji, Q.
Deposit date:2019-05-22
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Molecular basis for the PAM expansion and fidelity enhancement of an evolved Cas9 nuclease.
Plos Biol., 17, 2019
6K4P
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BU of 6k4p by Molmil
Crystal structure of xCas9 in complex with sgRNA and DNA (TGG PAM)
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, DNA (28-MER), PHOSPHATE ION, ...
Authors:Chen, W, Zhang, H, Zhang, Y, Wang, Y, Gan, J, Ji, Q.
Deposit date:2019-05-25
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular basis for the PAM expansion and fidelity enhancement of an evolved Cas9 nuclease.
Plos Biol., 17, 2019
6K5T
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BU of 6k5t by Molmil
Complex of SUMO1 and phosphorylated hcmv protein IE2
Descriptor: 12-mer from Viral transcription factor IE2, Small ubiquitin-related modifier 1
Authors:Tripathi, V, Chatterjee, K.S.
Deposit date:2019-05-31
Release date:2019-08-07
Last modified:2019-12-25
Method:SOLUTION NMR
Cite:Casein kinase-2-mediated phosphorylation increases the SUMO-dependent activity of the cytomegalovirus transactivator IE2.
J.Biol.Chem., 294, 2019
2P1L
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BU of 2p1l by Molmil
Structure of the Bcl-XL:Beclin 1 complex
Descriptor: Apoptosis regulator Bcl-X, Beclin 1
Authors:Jeffrey, P.D, Shi, Y, Oberstein, A.L.
Deposit date:2007-03-05
Release date:2007-03-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the Bcl-XL-Beclin 1 peptide complex: Beclin 1 is a novel BH3-only protein
J.Biol.Chem., 282, 2007
4DLI
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BU of 4dli by Molmil
Human p38 MAP kinase in complex with RL87
Descriptor: Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine
Authors:Gruetter, C, Getlik, M, Simard, J.R, Rauh, D.
Deposit date:2012-02-06
Release date:2013-01-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Fluorophore labeled kinase detects ligands that bind within the MAPK insert of p38alpha kinase.
Plos One, 7, 2012
6IHJ
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BU of 6ihj by Molmil
Crystal structure of Drosophila Nxf1 NTF2 domain in complex with Nxt1/p15
Descriptor: NTF2-related export protein, Nuclear RNA export factor 1
Authors:Huang, Y, Yuan, X.
Deposit date:2018-09-30
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A Pandas complex adapted for piRNA-guided transcriptional silencing and heterochromatin formation.
Nat.Cell Biol., 21, 2019
4AVW
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BU of 4avw by Molmil
Crystal structure of human tankyrase 2 in complex with TIQ-A
Descriptor: 4H-thieno[2,3-c]isoquinolin-5-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Haikarainen, T, Narwal, M, Lehtio, L.
Deposit date:2012-05-29
Release date:2012-06-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Evaluation and Structural Basis for the Inhibition of Tankyrases by Parp Inhibitors
Acs Med.Chem.Lett., 5, 2014

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