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5JMT
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BU of 5jmt by Molmil
Crystal structure of Zika virus NS3 helicase
Descriptor: NS3 helicase
Authors:Tian, H, Ji, X, Yang, X, Xie, W, Yang, K, Chen, C, Wu, C, Chi, H, Mu, Z, Wang, Z, Yang, H.
Deposit date:2016-04-29
Release date:2016-05-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:The crystal structure of Zika virus helicase: basis for antiviral drug design
Protein Cell, 7, 2016
6VXK
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BU of 6vxk by Molmil
Cryo-EM Structure of the full-length A39R/PlexinC1 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Plexin-C1, Semaphorin-like protein 139
Authors:Kuo, Y.-C, Chen, H, Shang, G, Uchikawa, E, Tian, H, Bai, X, Zhang, X.
Deposit date:2020-02-22
Release date:2020-04-29
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structure of the PlexinC1/A39R complex reveals inter-domain interactions critical for ligand-induced activation.
Nat Commun, 11, 2020
2AYR
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BU of 2ayr by Molmil
A SERM Designed for the Treatment of Uterine Leiomyoma with Unique Tissue Specificity for Uterus and Ovaries in Rats
Descriptor: 6-(4-METHYLSULFONYL-PHENYL)-5-[4-(2-PIPERIDIN-1-YLETHOXY)PHENOXY]NAPHTHALEN-2-OL, Estrogen receptor
Authors:Hummel, C.W, Geiser, A.G, Bryant, H.U, Cohen, I.R, Dally, R.D, Fong, K.C, Frank, S.A, Hinklin, R, Jones, S.A, Lewis, G, McCann, D.J, Shepherd, T.A, Tian, H, Rudman, D.G, Wallace, O.B, Wang, Y, Dodge, J.A.
Deposit date:2005-09-07
Release date:2005-11-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A selective estrogen receptor modulator designed for the treatment of uterine leiomyoma with unique tissue specificity for uterus and ovaries in rats
J.Med.Chem., 48, 2005
2WSB
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BU of 2wsb by Molmil
Crystal structure of the short-chain dehydrogenase Galactitol- Dehydrogenase (GatDH) of Rhodobacter sphaeroides in complex with NAD
Descriptor: GALACTITOL DEHYDROGENASE, MAGNESIUM ION, N-PROPANOL, ...
Authors:Carius, Y, Christian, H, Faust, A, Kornberger, P, Kohring, G.W, Giffhorn, F, Scheidig, A.J.
Deposit date:2009-09-04
Release date:2010-04-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural Insight Into Substrate Differentiation of the Sugar-Metabolizing Enzyme Galactitol Dehydrogenase from Rhodobacter Sphaeroides D.
J.Biol.Chem., 285, 2010
3LQF
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BU of 3lqf by Molmil
Crystal structure of the short-chain dehydrogenase Galactitol-Dehydrogenase (GatDH) of Rhodobacter sphaeroides in complex with NAD and erythritol
Descriptor: Galactitol dehydrogenase, MAGNESIUM ION, MESO-ERYTHRITOL, ...
Authors:Carius, Y, Christian, H, Faust, A, Kornberger, P, Zander, U, Klink, B.U, Kohring, G.W, Giffhorn, F, Scheidig, A.J.
Deposit date:2010-02-09
Release date:2010-04-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insight into substrate differentiation of the sugar-metabolizing enzyme galactitol dehydrogenase from Rhodobacter sphaeroides D.
J.Biol.Chem., 285, 2010
2WDZ
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BU of 2wdz by Molmil
Crystal structure of the short chain dehydrogenase Galactitol- Dehydrogenase (GatDH) of Rhodobacter sphaeroides in complex with NAD+ and 1,2-Pentandiol
Descriptor: (2S)-pentane-1,2-diol, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Carius, Y, Christian, H, Faust, A, Kornberger, P, Kohring, G.W, Giffhorn, F, Scheidig, A.J.
Deposit date:2009-03-27
Release date:2010-03-31
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Insight Into Substrate Differentiation of the Sugar-Metabolizing Enzyme Galactitol Dehydrogenase from Rhodobacter Sphaeroides D.
J.Biol.Chem., 285, 2010
3F8C
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BU of 3f8c by Molmil
Crystal structure of multidrug binding transcriptional regulator LmrR complexed with Hoechst 33342
Descriptor: 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, Transcriptional regulator, PadR-like family
Authors:Madoori, P.K, Agustiandari, H, Driessen, A.J.M, Thunnissen, A.-M.W.H.
Deposit date:2008-11-12
Release date:2008-12-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the transcriptional regulator LmrR and its mechanism of multidrug recognition.
Embo J., 28, 2009
3F8F
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Crystal structure of multidrug binding transcriptional regulator LmrR complexed with Daunomycin
Descriptor: DAUNOMYCIN, Transcriptional regulator, PadR-like family
Authors:Madoori, P.K, Agustiandari, H, Driessen, A.J.M, Thunnissen, A.-M.W.H.
Deposit date:2008-11-12
Release date:2008-12-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the transcriptional regulator LmrR and its mechanism of multidrug recognition.
Embo J., 28, 2009
3F8B
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BU of 3f8b by Molmil
Crystal structure of the multidrug binding transcriptional regulator LmrR in drug free state
Descriptor: Transcriptional regulator, PadR-like family
Authors:Madoori, P.K, Agustiandari, H, Driessen, A.J.M, Thunnissen, A.-M.W.H.
Deposit date:2008-11-12
Release date:2008-12-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the transcriptional regulator LmrR and its mechanism of multidrug recognition.
Embo J., 28, 2009
6LWT
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BU of 6lwt by Molmil
Crystal structure of Staphylococcal Superantigen-Like protein 10
Descriptor: Superantigen-like protein SSL10
Authors:Nan, J, Chengliang, W, Tianrong, H.
Deposit date:2020-02-08
Release date:2021-02-10
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Staphylococcal Superantigen-Like protein 10
To Be Published
6N0Q
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BU of 6n0q by Molmil
BRAF in complex with N-(4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)phenyl)-3-(trifluoromethyl)benzamide.
Descriptor: N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-11-07
Release date:2019-10-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic.
J.Med.Chem., 63, 2020
6N0P
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BU of 6n0p by Molmil
BRAF in complex with N-(3-(2-(2-hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide (LXH254)
Descriptor: N-{3-[2-(2-hydroxyethoxy)-6-(morpholin-4-yl)pyridin-4-yl]-4-methylphenyl}-2-(trifluoromethyl)pyridine-4-carboxamide, Serine/threonine-protein kinase B-raf
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-11-07
Release date:2019-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic.
J.Med.Chem., 63, 2020
5VZ3
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BU of 5vz3 by Molmil
Growth Factor Crystal Structure at 1.97 Angstrom Resolution
Descriptor: Growth/differentiation factor 15
Authors:Lakshminarasimhan, D, White, A, Suto, R.K.
Deposit date:2017-05-26
Release date:2017-09-27
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Non-homeostatic body weight regulation through a brainstem-restricted receptor for GDF15.
Nature, 550, 2017
5VZ4
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BU of 5vz4 by Molmil
Receptor-growth factor crystal structure at 2.20 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, GDNF family receptor alpha-like, ...
Authors:Lakshminarasimhan, D, White, A, Suto, R.K.
Deposit date:2017-05-26
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Non-homeostatic body weight regulation through a brainstem-restricted receptor for GDF15.
Nature, 550, 2017
6Q40
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BU of 6q40 by Molmil
A secreted LysM effector of the wheat pathogen Zymoseptoria tritici protects the fungal hyphae against chitinase hydrolysis through ligand-dependent polymerisation of LysM homodimers
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, LysM domain-containing protein
Authors:Mesters, J.R, Saleem-Batcha, R, Sanchez-Vallet, A, Thomma, B.P.H.J.
Deposit date:2018-12-05
Release date:2019-10-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.412 Å)
Cite:A secreted LysM effector protects fungal hyphae through chitin-dependent homodimer polymerization.
Plos Pathog., 16, 2020
5Y6M
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BU of 5y6m by Molmil
Zika virus helicase in complex with ADP-AlF3
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Helicase domain from Genome polyprotein, ...
Authors:Yang, X.Y, Chen, C, Tian, H.L, Chi, H, Mu, Z.Y, Zhang, T.Q, Yang, K.L, Zhao, Q, Liu, X.H, Wang, Z.F, Ji, X.Y, Yang, H.T.
Deposit date:2017-08-12
Release date:2018-07-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Mechanism of ATP hydrolysis by the Zika virus helicase.
FASEB J., 32, 2018
5Y6N
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BU of 5y6n by Molmil
Zika virus helicase in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Helicase domain from Genome polyprotein, MANGANESE (II) ION
Authors:Yang, X.Y, Chen, C, Tian, H.L, Chi, H, Mu, Z.Y, Zhang, T.Q, Yang, K.L, Zhao, Q, Liu, X.H, Wang, Z.F, Ji, X.Y, Yang, H.T.
Deposit date:2017-08-12
Release date:2018-07-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.571 Å)
Cite:Mechanism of ATP hydrolysis by the Zika virus helicase.
FASEB J., 32, 2018
7V2Z
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BU of 7v2z by Molmil
ZIKV NS3helicase in complex with ssRNA and ATP-Mn2+
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Core protein, MANGANESE (II) ION, ...
Authors:Lin, M.M, Yang, H.T.
Deposit date:2021-08-10
Release date:2022-08-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.10101676 Å)
Cite:Structural Basis of Zika Virus Helicase in RNA Unwinding and ATP Hydrolysis.
Acs Infect Dis., 8, 2022
8A4O
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BU of 8a4o by Molmil
Crystal structure of the Ustilago hordei effector protein Uvi2
Descriptor: Effector protein Uvi2
Authors:Weiland, P, Bange, G, Altegoer, F.
Deposit date:2022-06-13
Release date:2023-05-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural and functional analysis of the cerato-platanin-like protein Cpl1 suggests diverging functions in smut fungi.
Mol Plant Pathol, 24, 2023
8A14
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BU of 8a14 by Molmil
Crystal structure of the cerato-platanin-like protein Cpl1 from Ustilago maydis
Descriptor: Cerato-platatanin-like protein 1
Authors:Weiland, P, Bange, G, Altegoer, F.
Deposit date:2022-05-31
Release date:2023-05-17
Last modified:2023-06-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional analysis of the cerato-platanin-like protein Cpl1 suggests diverging functions in smut fungi.
Mol Plant Pathol, 24, 2023
7N91
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BU of 7n91 by Molmil
P70 S6K1 IN COMPLEX WITH MSC2317067A-1
Descriptor: 4-{[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino}quinazoline-8-carboxamide, Ribosomal protein S6 kinase beta-1
Authors:Mochalkin, I.
Deposit date:2021-06-16
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Identification of Clinical Candidate M2698, a Dual p70S6K and Akt Inhibitor, for Treatment of PAM Pathway-Altered Cancers.
J.Med.Chem., 64, 2021
7N93
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BU of 7n93 by Molmil
P70 S6K1 IN COMPLEX WITH MSC2363318A-1
Descriptor: 4-({(1S)-2-(azetidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl}amino)quinazoline-8-carboxamide, Ribosomal protein S6 kinase beta-1
Authors:Mochalkin, I.
Deposit date:2021-06-16
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Identification of Clinical Candidate M2698, a Dual p70S6K and Akt Inhibitor, for Treatment of PAM Pathway-Altered Cancers.
J.Med.Chem., 64, 2021
4RVZ
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BU of 4rvz by Molmil
Crystal structure of tRNA fluorescent labeling enzyme
Descriptor: MAGNESIUM ION, N-(4-aminobutyl)-2-azidoacetamide, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Dong, J, Li, F, Wang, J, Gong, W.
Deposit date:2014-11-29
Release date:2015-03-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A covalent approach for site-specific RNA labeling in Mammalian cells.
Angew.Chem.Int.Ed.Engl., 54, 2015
4O6E
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BU of 4o6e by Molmil
Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine Inhibitors of Erk2
Descriptor: Mitogen-activated protein kinase 1, N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(tetrahydro-2H-pyran-4-ylamino)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxamide
Authors:Yin, J, Wang, W.
Deposit date:2013-12-20
Release date:2014-05-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine inhibitors of Erk2.
Bioorg.Med.Chem.Lett., 24, 2014
7F60
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BU of 7f60 by Molmil
Crystal structure of auxiliary protein in complex with human nuclear protein
Descriptor: Nuclear pore complex protein Nup98-Nup96, ORF6 protein, mRNA export factor
Authors:Gao, X, Cui, S.
Deposit date:2021-06-23
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural basis for Sarbecovirus ORF6 mediated blockage of nucleocytoplasmic transport
Nat Commun, 13, 2022

 

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