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5DZV
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BU of 5dzv by Molmil
Protocadherin alpha 7 extracellular cadherin domains 1-5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Protein Pcdha7, ...
Authors:Goodman, K.M, Bahna, F, Honig, B, Shapiro, L.
Deposit date:2015-09-26
Release date:2016-05-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural Basis of Diverse Homophilic Recognition by Clustered alpha- and beta-Protocadherins.
Neuron, 90, 2016
5E0X
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BU of 5e0x by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-(4-methoxyphenyl)cyclohexylidene]methanediyl}diphenol
Descriptor: 4,4'-{[(3S)-3-(4-methoxyphenyl)cyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-09-29
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.014 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5E14
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BU of 5e14 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3R)-3-phenylcyclohexylidene]methanediyl}diphenol
Descriptor: 4,4'-{[(3R)-3-phenylcyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-09-29
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
2C7M
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BU of 2c7m by Molmil
Human Rabex-5 residues 1-74 in complex with Ubiquitin
Descriptor: RAB GUANINE NUCLEOTIDE EXCHANGE FACTOR 1, UBIQUITIN, ZINC ION
Authors:Penengo, L, Mapelli, M, Murachelli, A.G, Confalioneri, S, Magri, L, Musacchio, A, Di Fiore, P.P, Polo, S, Schneider, T.R.
Deposit date:2005-11-25
Release date:2006-02-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the ubiquitin binding domains of rabex-5 reveals two modes of interaction with ubiquitin.
Cell, 124, 2006
5DMF
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BU of 5dmf by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a 4-fluorophenylamino-substituted, methyl triaryl-ethylene derivative 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}prop-1-ene-1,1-diyl)diphenol
Descriptor: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}prop-1-ene-1,1-diyl)diphenol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-09-08
Release date:2016-05-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5ED3
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BU of 5ed3 by Molmil
crystal structure of human Hint1 complexing with AP5A
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1
Authors:Wang, J, Fang, P, Guo, M.
Deposit date:2015-10-20
Release date:2017-01-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.309 Å)
Cite:Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
5EDV
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BU of 5edv by Molmil
Structure of the HOIP-RBR/UbcH5B~ubiquitin transfer complex
Descriptor: E3 ubiquitin-protein ligase RNF31, Polyubiquitin-B, Ubiquitin-conjugating enzyme E2 D2, ...
Authors:Lechtenberg, B.C, Mace, P.D, Sanishvili, R, Riedl, S.J.
Deposit date:2015-10-22
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.48 Å)
Cite:Structure of a HOIP/E2~ubiquitin complex reveals RBR E3 ligase mechanism and regulation.
Nature, 529, 2016
5EIB
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BU of 5eib by Molmil
Crystal structure of CPAP PN2-3 C-terminal loop-helix in complex with DARPin-tubulin
Descriptor: Designed ankyrin repeat protein, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Li, H, Zheng, X.
Deposit date:2015-10-29
Release date:2016-10-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular basis for CPAP-tubulin interaction in controlling centriolar and ciliary length
Nat Commun, 7, 2016
5EIT
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BU of 5eit by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the imidazopyridine derivative 2-(4-hydroxyphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-ol
Descriptor: 2-(4-hydroxyphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-ol, Estrogen receptor, NCOA2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-10-30
Release date:2016-05-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
8Q5P
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BU of 8q5p by Molmil
Structure of the lysine methyltransferase SETD2 in complex with a peptide derived from human tyrosine kinase ACK1
Descriptor: Activated CDC42 kinase 1, Histone-lysine N-methyltransferase SETD2, S-ADENOSYLMETHIONINE, ...
Authors:Mechaly, A, Le Coadou, L, Dupret, J.M, Haouz, A, Rodrigues Lima, F.
Deposit date:2023-08-09
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.814 Å)
Cite:Structural and enzymatic evidence for the methylation of the ACK1 tyrosine kinase by the histone lysine methyltransferase SETD2.
Biochem.Biophys.Res.Commun., 695, 2024
5EPP
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BU of 5epp by Molmil
Structural Insights into the Interaction of p97 N-terminus Domain and VBM Motif in Rhomboid Protease, RHBDL4
Descriptor: Rhomboid-related protein 4, Transitional endoplasmic reticulum ATPase
Authors:Lim, J.J, Lee, Y, Ly, T.T, Kang, J.Y, Lee, J.-G, An, J.Y, Youn, H.-S, Park, K.R, Kim, T.G, Yang, J.K, Jun, Y, Eom, S.H.
Deposit date:2015-11-12
Release date:2016-09-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural insights into the interaction of p97 N-terminus domain and VBM in rhomboid protease, RHBDL4.
Biochem.J., 473, 2016
5EFM
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BU of 5efm by Molmil
Beclin 1 Flexible-helical Domian (FHD) (141-171)
Descriptor: Beclin-1, SULFATE ION
Authors:Sinha, S, Mei, Y.
Deposit date:2015-10-23
Release date:2016-07-20
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Conformational Flexibility Enables the Function of a BECN1 Region Essential for Starvation-Mediated Autophagy.
Biochemistry, 55, 2016
5EGV
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BU of 5egv by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex the 3,4-diaryl-furan derivative 3-chloranyl-4-[4-(2-chloranyl-4-oxidanyl-phenyl)furan-3-yl]phenol
Descriptor: 3-chloranyl-4-[4-(2-chloranyl-4-oxidanyl-phenyl)furan-3-yl]phenol, Estrogen receptor, NCOA2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-10-27
Release date:2016-05-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.863 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5EI1
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BU of 5ei1 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the imidazopyridine derivative 2-(4-hydroxyphenyl)-3-iodanyl-imidazo[1,2-a]pyridin-6-ol
Descriptor: 2-(4-hydroxyphenyl)-3-iodanyl-imidazo[1,2-a]pyridin-6-ol, Estrogen receptor, NCOA2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-10-29
Release date:2016-05-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5ELP
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BU of 5elp by Molmil
Ketosynthase from module 1 of the bacillaene synthase from Bacillus amyloliquefaciens FZB42
Descriptor: NRPS/PKS protein
Authors:Wagner, D.T, Gay, D.C, Keatinge-Clay, A.T, Zogzas, C.E.
Deposit date:2015-11-04
Release date:2016-01-13
Last modified:2016-11-02
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:The LINKS motif zippers trans-acyltransferase polyketide synthase assembly lines into a biosynthetic megacomplex.
J.Struct.Biol., 193, 2016
5EMT
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BU of 5emt by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1)-copper complex
Descriptor: COPPER (II) ION, Histidine triad nucleotide-binding protein 1
Authors:Maize, K.M, Nix, J.C, Finzel, B.C.
Deposit date:2015-11-06
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Inhibition by divalent metal ions of human histidine triad nucleotide binding protein1 (hHint1), a regulator of opioid analgesia and neuropathic pain.
Biochem. Biophys. Res. Commun., 491, 2017
5ERB
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BU of 5erb by Molmil
Ketosynthase from module 5 of the bacillaene synthase from Bacillus amyloliquefaciens FZB42
Descriptor: Polyketide synthase
Authors:Wagner, D.T, Gay, D.C, Keatinge-Clay, A.T, Meinke, J.
Deposit date:2015-11-13
Release date:2015-12-23
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:The LINKS motif zippers trans-acyltransferase polyketide synthase assembly lines into a biosynthetic megacomplex.
J.Struct.Biol., 193, 2016
5OK6
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BU of 5ok6 by Molmil
Ubiquitin specific protease 11 USP11 - peptide F complex
Descriptor: 1,2-ETHANEDIOL, ALA-GLU-GLY-GLU-PHE-TYR-LYS-LEU-LYS-ILE-ARG-THR-PRO-AAR, GLYCEROL, ...
Authors:Spiliotopoulos, A, Dreveny, I.
Deposit date:2017-07-25
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Discovery of peptide ligands targeting a specific ubiquitin-like domain-binding site in the deubiquitinase USP11.
J.Biol.Chem., 294, 2019
5DUH
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BU of 5duh by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Sulfoxide-bridged Oxabicyclic Heptene Sulfonate (SOBHS)-3 analog phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-3-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide
Descriptor: Estrogen receptor, Nuclear receptor coactivator 2, phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-3-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-09-18
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5ED6
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crystal structure of human Hint1 H114A mutant complexing with ATP
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1
Authors:Wang, J, Fang, P, Guo, M.
Deposit date:2015-10-20
Release date:2017-01-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
5DUG
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BU of 5dug by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Sulfoxide-bridged Oxabicyclic Heptene Sulfonate (SOBHS)-2 analog phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide
Descriptor: Estrogen receptor, Nuclear receptor coactivator 2, phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-09-18
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.252 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5DZ1
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BU of 5dz1 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-[(4-ethylcyclohexylidene)methanediyl]diphenol
Descriptor: 4,4'-[(4-ethylcyclohexylidene)methanediyl]diphenol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-09-25
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
8K2B
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BU of 8k2b by Molmil
Cryo-EM structure of the human 39S mitoribosome with Tigecycline
Descriptor: 16s rRNA, 39S ribosomal protein L22, mitochondrial, ...
Authors:Li, X, Wang, M, Cheng, J.
Deposit date:2023-07-12
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for differential inhibition of eukaryotic ribosomes by tigecycline.
Nat Commun, 15, 2024
5DXM
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BU of 5dxm by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 3-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenol
Descriptor: 3-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-09-23
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5EBT
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BU of 5ebt by Molmil
Tankyrase 1 with Phthalazinone 2
Descriptor: (R,R)-2,3-BUTANEDIOL, 4-[bis(fluoranyl)-[3-[[(6~{S})-6-methyl-3-(trifluoromethyl)-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{H}-phthalazin-1-one, Tankyrase-1, ...
Authors:Kazmirski, S.L, Johannes, J.
Deposit date:2015-10-19
Release date:2016-03-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering.
Bioorg.Med.Chem.Lett., 25, 2015

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