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8P9W
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BU of 8p9w by Molmil
vitamin D receptor complex with Xe4MeCF3 analog
Descriptor: (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-1,7~{a}-dimethyl-1-[6,6,6-tris(fluoranyl)-5-oxidanyl-5-(trifluoromethyl)hexa-1,3-diynyl]-2,3,3~{a},5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
Authors:Belorusova, A.Y, Rochel, N.
Deposit date:2023-06-06
Release date:2024-06-26
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A vitamin D-based strategy overcomes chemoresistance in prostate cancer.
Br.J.Pharmacol., 2024
6FZF
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BU of 6fzf by Molmil
PPAR mutant complex
Descriptor: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha
Authors:Rochel, N.
Deposit date:2018-03-14
Release date:2019-02-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors.
Nat Commun, 10, 2019
6FZP
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BU of 6fzp by Molmil
PPAR gamma complex.
Descriptor: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha
Authors:Rochel, N, Beji, S.
Deposit date:2018-03-15
Release date:2019-02-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors.
Nat Commun, 10, 2019
6FZJ
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BU of 6fzj by Molmil
PPAR gamma mutant complex
Descriptor: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, CHLORIDE ION, IODIDE ION, ...
Authors:Rochel, N.
Deposit date:2018-03-14
Release date:2019-02-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.011 Å)
Cite:Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors.
Nat Commun, 10, 2019
6FZY
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PPAR mutant
Descriptor: Peroxisome proliferator-activated receptor gamma
Authors:Rochel, N.
Deposit date:2018-03-15
Release date:2019-02-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors.
Nat Commun, 10, 2019
6FZG
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BU of 6fzg by Molmil
PPAR gamma mutant complex
Descriptor: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, CHLORIDE ION, Peroxisome proliferator-activated receptor gamma
Authors:Rochel, N.
Deposit date:2018-03-14
Release date:2019-02-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors.
Nat Commun, 10, 2019
7JVN
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BU of 7jvn by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Compound 24
Descriptor: 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)sulfanyl]pyrazin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2020-08-21
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.917 Å)
Cite:Identification of TNO155, an Allosteric SHP2 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
7JVM
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BU of 7jvm by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor TNO155
Descriptor: (3S,4S)-8-{6-amino-5-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2020-08-21
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.166 Å)
Cite:Identification of TNO155, an Allosteric SHP2 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
7DA6
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BU of 7da6 by Molmil
Enterovirus 71 2A Protease mutant- C110A in complex with peptide inhibitor
Descriptor: PHE-ARG-GLY-LYS, Polyprotein, ZINC ION
Authors:Yang, W.Z, Yuan, H.S.
Deposit date:2020-10-15
Release date:2021-08-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Efficient Strategy to Design Protease Inhibitors: Application to Enterovirus 71 2A Protease.
Acs Bio Med Chem Au, 2022
6RPR
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BU of 6rpr by Molmil
LEM domain of Emerin mutant T43I in complex with BAF dimer and the Igfold of the lamin A/C
Descriptor: LEM domain of emerin mutant T43I, Prelamin-A/C, SULFATE ION, ...
Authors:Essawy, N, Samson, C.
Deposit date:2019-05-14
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:An Emerin LEM-Domain Mutation Impairs Cell Response to Mechanical Stress.
Cells, 8, 2019
6IW8
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BU of 6iw8 by Molmil
Crystal structure of Importin-alpha and wild-type GM130
Descriptor: Importin subunit alpha-1, Peptide from Golgin subfamily A member 2
Authors:Chang, C.-C, Chen, C.-J, Pien, Y.-C, Tsai, S.-Y, Hsia, K.-C.
Deposit date:2018-12-04
Release date:2019-10-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ran pathway-independent regulation of mitotic Golgi disassembly by Importin-alpha.
Nat Commun, 10, 2019
6K06
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BU of 6k06 by Molmil
Crystal structure of Importin-alpha and phosphomimetic GM130
Descriptor: Importin subunit alpha-1, Peptide from Golgin subfamily A member 2
Authors:Chang, C.-C, Chen, C.-J, Pien, Y.-C, Tsai, S.-Y, Hsia, K.-C.
Deposit date:2019-05-05
Release date:2019-10-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Ran pathway-independent regulation of mitotic Golgi disassembly by Importin-alpha.
Nat Commun, 10, 2019
6IWA
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BU of 6iwa by Molmil
Crystal structure of Importin-alpha and phosphoserine GM130
Descriptor: Importin subunit alpha-1, PHOSPHOSERINE GM130
Authors:Chang, C.-C, Chen, C.-J, Pien, Y.-C, Tsai, S.-Y, Hsia, K.-C.
Deposit date:2018-12-05
Release date:2019-10-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Ran pathway-independent regulation of mitotic Golgi disassembly by Importin-alpha.
Nat Commun, 10, 2019
8UNG
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BU of 8ung by Molmil
Solution structure of toxin, U-RDTX-Pp19, from assassin bug Pristhesancus plagipennis
Descriptor: Venom peptide Pp19a
Authors:Chin, Y.K.Y, Walker, A.A, King, G.F.
Deposit date:2023-10-18
Release date:2024-05-29
Last modified:2024-07-03
Method:SOLUTION NMR
Cite:Structure and bioactivity of an insecticidal trans-defensin from assassin bug venom.
Structure, 2024
5IHC
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BU of 5ihc by Molmil
MELK in complex with NVS-MELK12B
Descriptor: 4-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-[(piperidin-4-yl)methoxy]pyridine, Maternal embryonic leucine zipper kinase
Authors:Sprague, E.R, Brazell, T.
Deposit date:2016-02-29
Release date:2016-06-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
5IHA
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BU of 5iha by Molmil
MELK in complex with NVS-MELK8F
Descriptor: 1-methyl-4-(4-{4-[3-(2-methylpropoxy)pyridin-4-yl]-1H-pyrazol-1-yl}phenyl)piperazine, Maternal embryonic leucine zipper kinase
Authors:Sprague, E.R, Brazell, T.
Deposit date:2016-02-29
Release date:2016-06-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
5IH8
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BU of 5ih8 by Molmil
MELK in complex with NVS-MELK1
Descriptor: Maternal embryonic leucine zipper kinase, N-[(pyridin-2-yl)methyl]-4-[4-(pyridin-4-yl)-1H-pyrazol-1-yl]benzamide
Authors:Sprague, E.R, Puleo, D.E.
Deposit date:2016-02-29
Release date:2016-06-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
5IH9
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BU of 5ih9 by Molmil
MELK in complex with NVS-MELK8A
Descriptor: 1-methyl-4-[4-(4-{3-[(piperidin-4-yl)methoxy]pyridin-4-yl}-1H-pyrazol-1-yl)phenyl]piperazine, Maternal embryonic leucine zipper kinase
Authors:Sprague, E.R, Puleo, D.E.
Deposit date:2016-02-29
Release date:2016-06-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
2QJT
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BU of 2qjt by Molmil
Crystal structure of a bifunctional NMN adenylyltransferase/ADP ribose pyrophosphatase complexed with AMP and MN ion from Francisella tularensis
Descriptor: ADENOSINE MONOPHOSPHATE, MANGANESE (II) ION, Nicotinamide-nucleotide adenylyltransferase
Authors:Huang, N, Sorci, L, Zhang, X, Brautigan, C, Raffaelli, N, Magni, G, Grishin, N.V, Osterman, A, Zhang, H.
Deposit date:2007-07-09
Release date:2008-03-04
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Bifunctional NMN Adenylyltransferase/ADP-Ribose Pyrophosphatase: Structure and Function in Bacterial NAD Metabolism.
Structure, 16, 2008
2R5W
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BU of 2r5w by Molmil
Crystal structure of a bifunctional NMN adenylyltransferase/ADP ribose pyrophosphatase from Francisella tularensis
Descriptor: CHLORIDE ION, MAGNESIUM ION, Nicotinamide-nucleotide adenylyltransferase
Authors:Huang, N, Sorci, L, Zhang, X, Brautigan, C, Li, X, Raffaelli, N, Grishin, N, Osterman, A, Zhang, H.
Deposit date:2007-09-04
Release date:2008-03-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Bifunctional NMN Adenylyltransferase/ADP-Ribose Pyrophosphatase: Structure and Function in Bacterial NAD Metabolism.
Structure, 16, 2008
2QJO
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BU of 2qjo by Molmil
crystal structure of a bifunctional NMN adenylyltransferase/ADP ribose pyrophosphatase (NadM) complexed with ADPRP and NAD from Synechocystis sp.
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Bifunctional NMN adenylyltransferase/Nudix hydrolase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Huang, N, Sorci, L, Zhang, X, Brautigan, C, Raffaelli, N, Magni, G, Grishin, N.V, Osterman, A, Zhang, H.
Deposit date:2007-07-08
Release date:2008-03-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Bifunctional NMN Adenylyltransferase/ADP-Ribose Pyrophosphatase: Structure and Function in Bacterial NAD Metabolism.
Structure, 16, 2008
6DDD
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BU of 6ddd by Molmil
Structure of the 50S ribosomal subunit from Methicillin Resistant Staphylococcus aureus in complex with the oxazolidinone antibiotic LZD-5
Descriptor: 2,2-dichloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide, 23S rRNA, 50S ribosomal protein L13, ...
Authors:Belousoff, M.J, Venugopal, H, Bamert, R.S, Lithgow, T.
Deposit date:2018-05-10
Release date:2019-03-20
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:cryoEM-Guided Development of Antibiotics for Drug-Resistant Bacteria.
ChemMedChem, 14, 2019
6DDG
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BU of 6ddg by Molmil
Structure of the 50S ribosomal subunit from Methicillin Resistant Staphylococcus aureus in complex with the oxazolidinone antibiotic LZD-6
Descriptor: 2-chloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide, 23S rRNA, 50S ribosomal protein L13, ...
Authors:Belousoff, M.J, Venugopal, H, Bamert, R.S, Lithgow, T.
Deposit date:2018-05-10
Release date:2019-03-20
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:cryoEM-Guided Development of Antibiotics for Drug-Resistant Bacteria.
ChemMedChem, 14, 2019
5OBZ
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BU of 5obz by Molmil
low resolution structure of the p34ct/p44ct minimal complex
Descriptor: Putative transcription factor, ZINC ION
Authors:Schoenwetter, E, Koelmel, W, Schmitt, D.R, Kuper, J, Kisker, C.
Deposit date:2017-06-29
Release date:2017-10-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:The intricate network between the p34 and p44 subunits is central to the activity of the transcription/DNA repair factor TFIIH.
Nucleic Acids Res., 45, 2017
5NUS
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BU of 5nus by Molmil
Structure of a minimal complex between p44 and p34 from Chaetomium thermophilum
Descriptor: ZINC ION, p34, p44
Authors:Koelmel, W, Schoenwetter, E, Kuper, J, Schmitt, D.R, Kisker, C.
Deposit date:2017-05-02
Release date:2017-10-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The intricate network between the p34 and p44 subunits is central to the activity of the transcription/DNA repair factor TFIIH.
Nucleic Acids Res., 45, 2017

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