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5K00
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BU of 5k00 by Molmil
MELK in complex with NVS-MELK5
Descriptor: 4-{2-[(3-methoxyphenyl)amino]-4-[(piperidin-4-yl)methoxy]pyrimidin-5-yl}-N-[2-oxo-2-(phenylamino)ethyl]benzamide, Maternal embryonic leucine zipper kinase
Authors:Sprague, E.R.
Deposit date:2016-05-17
Release date:2017-03-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:"Addition" and "Subtraction": Selectivity Design for Type II Maternal Embryonic Leucine Zipper Kinase Inhibitors.
J. Med. Chem., 60, 2017
6TUN
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BU of 6tun by Molmil
Helicase domain complex
Descriptor: CDK-activating kinase assembly factor MAT1, CHLORIDE ION, General transcription and DNA repair factor IIH helicase subunit XPD
Authors:Sauer, F, Kisker, C.
Deposit date:2020-01-07
Release date:2020-11-11
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:In TFIIH the Arch domain of XPD is mechanistically essential for transcription and DNA repair.
Nat Commun, 11, 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
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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BU of 6fzy by Molmil
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
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
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
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
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
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
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
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
8QZZ
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BU of 8qzz by Molmil
Crystal structure of human eIF2 alpha-gamma complexed with PPP1R15A_420-452
Descriptor: Eukaryotic translation initiation factor 2 subunit 1, Eukaryotic translation initiation factor 2 subunit 3, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Yan, Y, Ron, D.
Deposit date:2023-10-30
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Substrate recruitment via eIF2 gamma enhances catalytic efficiency of a holophosphatase that terminates the integrated stress response.
Proc.Natl.Acad.Sci.USA, 121, 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
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
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
3KWD
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BU of 3kwd by Molmil
Inactive truncation of the beta-carboxysomal gamma-Carbonic Anhydrase, CcmM, form 1
Descriptor: CHLORIDE ION, Carbon dioxide concentrating mechanism protein, ZINC ION
Authors:Pena, K.L, Kimber, M.S, Castel, S.E.
Deposit date:2009-12-01
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural basis of the oxidative activation of the carboxysomal {gamma}-carbonic anhydrase, CcmM.
Proc.Natl.Acad.Sci.USA, 107, 2010

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