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6DRX
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BU of 6drx by Molmil
Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5HT2B receptor, BRIL chimera, ...
Authors:McCorvy, J.D, Wacker, D, Wang, S, Agegnehu, B, Liu, J, Lansu, K, Tribo, A.R, Olsen, R.H.J, Che, T, Jin, J, Roth, B.L.
Deposit date:2018-06-13
Release date:2018-08-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural determinants of 5-HT2Breceptor activation and biased agonism.
Nat. Struct. Mol. Biol., 25, 2018
6DS0
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BU of 6ds0 by Molmil
Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor
Descriptor: (1S)-1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-beta-carboline, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5HT2B receptor, ...
Authors:McCorvy, J.D, Wacker, D, Wang, S, Agegnehu, B, Liu, J, Lansu, K, Tribo, A.R, Olsen, R.H.J, Che, T, Jin, J, Roth, B.L.
Deposit date:2018-06-13
Release date:2018-08-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.188 Å)
Cite:Structural determinants of 5-HT2Breceptor activation and biased agonism.
Nat. Struct. Mol. Biol., 25, 2018
4GZN
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BU of 4gzn by Molmil
Mouse ZFP57 zinc fingers in complex with methylated DNA
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Liu, Y, Zhang, X, Cheng, X.
Deposit date:2012-09-06
Release date:2012-10-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:An atomic model of Zfp57 recognition of CpG methylation within a specific DNA sequence.
Genes Dev., 26, 2012
6DA8
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BU of 6da8 by Molmil
Human CYP3A4 bound to an inhibitor
Descriptor: Cytochrome P450 3A4, Nalpha-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-N-[(pyridin-3-yl)methyl]-D-phenylalaninamide, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sevrioukova, I.F.
Deposit date:2018-05-01
Release date:2019-04-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4.
Biochemistry, 58, 2019
6DC5
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BU of 6dc5 by Molmil
RSV prefusion F in complex with AM22 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Jones, H.G, McLellan, J.S.
Deposit date:2018-05-04
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Alternative conformations of a major antigenic site on RSV F.
Plos Pathog., 15, 2019
6DXE
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BU of 6dxe by Molmil
Crystal structure of chalcone synthase from Arabidopsis thaliana - M64I F170S G173A S213G Q217A T270V C347S mutant
Descriptor: Chalcone synthase
Authors:Liou, G, Chiang, Y.C, Wang, Y, Weng, J.K.
Deposit date:2018-06-28
Release date:2018-10-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.608 Å)
Cite:Mechanistic basis for the evolution of chalcone synthase catalytic cysteine reactivity in land plants.
J. Biol. Chem., 293, 2018
4HDA
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BU of 4hda by Molmil
Crystal structure of human Sirt5 in complex with Fluor-de-Lys peptide and resveratrol
Descriptor: Fluor-de-Lys peptide, NAD-dependent protein deacylase sirtuin-5, mitochondrial, ...
Authors:Gertz, M, Steegborn, C.
Deposit date:2012-10-02
Release date:2012-12-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:A molecular mechanism for direct sirtuin activation by resveratrol.
Plos One, 7, 2012
4HGA
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BU of 4hga by Molmil
Structure of the variant histone H3.3-H4 heterodimer in complex with its chaperone DAXX
Descriptor: Death domain-associated protein 6, Histone H3.3, Histone H4, ...
Authors:Liu, C.P, Xiong, C.Y, Wang, M.Z, Yu, Z.L, Yang, N, Chen, P, Zhang, Z.G, Li, G.H, Xu, R.M.
Deposit date:2012-10-07
Release date:2012-11-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.799 Å)
Cite:Structure of the variant histone H3.3-H4 heterodimer in complex with its chaperone DAXX.
Nat.Struct.Mol.Biol., 19, 2012
5XGS
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BU of 5xgs by Molmil
Crystal structure of human WBSCR16
Descriptor: RCC1-like G exchanging factor-like protein
Authors:Koyama, M, Sasaki, N, Matsuura, Y.
Deposit date:2017-04-16
Release date:2017-06-21
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of human WBSCR16, an RCC1-like protein in mitochondria
Protein Sci., 26, 2017
5X3Z
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BU of 5x3z by Molmil
Solution structure of musashi1 RBD2 in complex with RNA
Descriptor: RNA (5'-R(*GP*UP*AP*GP*U)-3'), RNA-binding protein Musashi homolog 1
Authors:Iwaoka, R, Nagata, T, Tsuda, K, Imai, T, Okano, H, Kobayashi, N, Katahira, M.
Deposit date:2017-02-09
Release date:2017-12-13
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural Insight into the Recognition of r(UAG) by Musashi-1 RBD2, and Construction of a Model of Musashi-1 RBD1-2 Bound to the Minimum Target RNA
Molecules, 22, 2017
4FML
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BU of 4fml by Molmil
Catalytic domain of VahC from Aeromonas hydrophila
Descriptor: VsdC
Authors:Ravulapalli, R, Kimber, M.S, Merrill, A.R.
Deposit date:2012-06-18
Release date:2012-09-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Characterization of an actin-targeting ADP-ribosyltransferase from Aeromonas hydrophila.
J.Biol.Chem., 287, 2012
5E8O
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BU of 5e8o by Molmil
The structure of the TEIPP associated altered peptide ligand Trh4-p2ABU in complex with H-2D(b)
Descriptor: Beta-2-microglobulin, Ceramide synthase 5, H-2 class I histocompatibility antigen, ...
Authors:Hafstrand, I, Doorduijn, E, Duru, A.D, Buratto, J, Oliveira, C.C, Sandalova, T, van Hall, T, Achour, A.
Deposit date:2015-10-14
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:The MHC Class I Cancer-Associated Neoepitope Trh4 Linked with Impaired Peptide Processing Induces a Unique Noncanonical TCR Conformer.
J Immunol., 196, 2016
2NV7
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BU of 2nv7 by Molmil
Crystal Structure of Estrogen Receptor Beta Complexed with WAY-555
Descriptor: 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME, Estrogen receptor beta, Nuclear receptor coactivator 1
Authors:Mewshaw, R.E, Bowen, M.S, Harris, H.A, Xu, Z.B, Manas, E.S, Cohn, S.T, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-11-10
Release date:2007-08-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:ERbeta ligands. Part 5: synthesis and structure-activity relationships of a series of 4'-hydroxyphenyl-aryl-carbaldehyde oxime derivatives.
Bioorg.Med.Chem.Lett., 17, 2007
4KMD
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BU of 4kmd by Molmil
Crystal structure of Sufud60-Gli1p
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, Sufu, ...
Authors:Zhang, Y, Qi, X, Zhang, Z, Wu, G.
Deposit date:2013-05-08
Release date:2013-11-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insight into the mutual recognition and regulation between Suppressor of Fused and Gli/Ci.
Nat Commun, 4, 2013
4KM9
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BU of 4km9 by Molmil
Crystal structure of human Suppressor of Fused
Descriptor: Suppressor of fused homolog
Authors:Zhang, Y, Qi, X, Zhang, Z, Wu, G.
Deposit date:2013-05-08
Release date:2013-11-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structural insight into the mutual recognition and regulation between Suppressor of Fused and Gli/Ci.
Nat Commun, 4, 2013
4N3Y
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BU of 4n3y by Molmil
Crystal structure of Rabex-5CC and Rabaptin-5C21 complex
Descriptor: Rab GTPase-binding effector protein 1, Rab5 GDP/GTP exchange factor
Authors:Zhang, Z, Zhang, T, Ding, J.
Deposit date:2013-10-08
Release date:2014-07-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular mechanism for Rabex-5 GEF activation by Rabaptin-5
Elife, 3, 2014
2QCS
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BU of 2qcs by Molmil
A complex structure between the Catalytic and Regulatory subunit of Protein Kinase A that represents the inhibited state
Descriptor: ACETATE ION, GLYCEROL, MANGANESE (II) ION, ...
Authors:Kim, C, Cheng, C.Y, Saldanha, A.S, Taylor, S.S.
Deposit date:2007-06-19
Release date:2007-11-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:PKA-I holoenzyme structure reveals a mechanism for cAMP-dependent activation.
Cell(Cambridge,Mass.), 130, 2007
4N9J
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BU of 4n9j by Molmil
Crystal structure of the cryptic polo box domain of human Plk4
Descriptor: CHLORIDE ION, SULFATE ION, Serine/threonine-protein kinase PLK4
Authors:Ku, B, Kim, J.H, Lee, K.S, Kim, S.J.
Deposit date:2013-10-21
Release date:2014-07-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Molecular basis for unidirectional scaffold switching of human Plk4 in centriole biogenesis.
Nat.Struct.Mol.Biol., 21, 2014
2P1B
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BU of 2p1b by Molmil
Crystal structure of human nucleophosmin-core
Descriptor: Nucleophosmin
Authors:Lee, H.H, Kim, H.S, Kang, J.Y, Lee, B.I, Ha, J.Y, Yoon, H.J, Lim, S.O, Jung, G, Suh, S.W.
Deposit date:2007-03-03
Release date:2007-03-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure of human nucleophosmin-core reveals plasticity of the pentamer-pentamer interface
Proteins, 69, 2007
4J26
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BU of 4j26 by Molmil
Estrogen Receptor in complex with proline-flanked LXXLL peptides
Descriptor: 12-mer Peptide, ESTRADIOL, Estrogen receptor beta
Authors:Fuchs, S, Nguyen, H.D, Phan, T, Burton, M, Nieto, L, de Vries-van Leeuwen, I, Schmidt, A, Goodarzifard, M, Agten, S, Rose, R, Ottmann, C, Milroy, L.G, Brunsveld, L.
Deposit date:2013-02-04
Release date:2013-03-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Proline primed helix length as a modulator of the nuclear receptor-coactivator interaction
J.Am.Chem.Soc., 135, 2013
4J24
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BU of 4j24 by Molmil
Estrogen Receptor in complex with proline-flanked LXXLL peptides
Descriptor: 19-mer peptide, ESTRADIOL, Estrogen receptor beta
Authors:Fuchs, S, Nguyen, H.D, Phan, T, Burton, M, Nieto, L, de Vries-van Leeuwen, I, Schmidt, A, Goodarzifard, M, Agten, S, Rose, R, Ottmann, C, Milroy, L.G, Brunsveld, L.
Deposit date:2013-02-04
Release date:2013-03-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Proline primed helix length as a modulator of the nuclear receptor-coactivator interaction
J.Am.Chem.Soc., 135, 2013
2OVJ
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BU of 2ovj by Molmil
The crystal structure of the human Rac GTPase activating protein 1 (RACGAP1) MgcRacGAP.
Descriptor: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Rac GTPase-activating protein 1
Authors:Shrestha, L, Papagrigoriou, E, Soundararajan, M, Elkins, J, Johansson, C, von Delft, F, Pike, A.C.W, Burgess, N, Turnbull, A, Debreczeni, J, Gorrec, F, Umeano, C, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2007-02-14
Release date:2007-02-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:The crystal structure of the human Rac GTPase activating protein 1 (RACGAP1) MgcRacGAP.
To be Published
2OP7
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BU of 2op7 by Molmil
WW4
Descriptor: NEDD4-like E3 ubiquitin-protein ligase WWP1
Authors:Qin, H.N, Li, M.F, Pu, H, Sankaran, S, Ahmed, S, Song, J.X.
Deposit date:2007-01-27
Release date:2007-12-11
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:NMR structure of the forth WW domain of WWP1
To be Published
4NRA
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BU of 4nra by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with compound-6 E11322
Descriptor: 1,2-ETHANEDIOL, 1-(8-chloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Chaikuad, A, Felletar, I, Ferguson, F.M, Filippakopoulos, P, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-11-26
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain.
J.Med.Chem., 56, 2013
4NQA
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BU of 4nqa by Molmil
Crystal structure of liganded hRXR-alpha/hLXR-beta heterodimer on DNA
Descriptor: (9cis)-retinoic acid, 5'-D(*TP*AP*AP*GP*GP*TP*CP*AP*CP*TP*TP*CP*AP*GP*GP*TP*CP*A)-3', 5'-D(*TP*AP*TP*GP*AP*CP*CP*TP*GP*AP*AP*GP*TP*GP*AP*CP*CP*T)-3', ...
Authors:Lou, X.H, Toresson, G, Benod, C, Suh, J.H, Phillips, K.J, Webb, P, Gustafsson, J.A.
Deposit date:2013-11-24
Release date:2014-02-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.102 Å)
Cite:Structure of the retinoid X receptor alpha-liver X receptor beta (RXR alpha-LXR beta ) heterodimer on DNA.
Nat.Struct.Mol.Biol., 21, 2014

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