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3RHZ
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BU of 3rhz by Molmil
Structure and functional analysis of a new subfamily of glycosyltransferases required for glycosylation of serine-rich streptococcal adhesions
Descriptor: CHLORIDE ION, Nucleotide sugar synthetase-like protein, URIDINE-5'-DIPHOSPHATE
Authors:Zhu, F, Li, J, Wu, H.
Deposit date:2011-04-12
Release date:2011-06-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Structural and Functional Analysis of a New Subfamily of Glycosyltransferases Required for Glycosylation of Serine-rich Streptococcal Adhesins.
J.Biol.Chem., 286, 2011
8GXM
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BU of 8gxm by Molmil
HUMAN SUGP1 433-586
Descriptor: SURP and G-patch domain-containing protein 1
Authors:Xu, K, Tong, L.
Deposit date:2022-09-20
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:DHX15 is involved in SUGP1-mediated RNA missplicing by mutant SF3B1 in cancer.
Proc.Natl.Acad.Sci.USA, 119, 2022
8GXL
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BU of 8gxl by Molmil
HUMAN SUGP1 433-577
Descriptor: SURP and G-patch domain-containing protein 1
Authors:Xu, K, Tong, L.
Deposit date:2022-09-20
Release date:2022-12-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:DHX15 is involved in SUGP1-mediated RNA missplicing by mutant SF3B1 in cancer.
Proc.Natl.Acad.Sci.USA, 119, 2022
3II6
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BU of 3ii6 by Molmil
Structure of human Xrcc4 in complex with the tandem BRCT domains of DNA LigaseIV.
Descriptor: CHLORIDE ION, DNA ligase 4, DNA repair protein XRCC4
Authors:Meesala, S, Junop, M.
Deposit date:2009-07-31
Release date:2009-08-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and functional interaction between the human DNA repair proteins DNA ligase IV and XRCC4
MOL.CELL.BIOL., 11, 2009
6LY5
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BU of 6ly5 by Molmil
Organization and energy transfer in a huge diatom PSI-FCPI supercomplex
Descriptor: (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ...
Authors:Xiong, P, Caizhe, X.
Deposit date:2020-02-13
Release date:2020-10-21
Method:ELECTRON MICROSCOPY (2.38 Å)
Cite:Structural basis for energy transfer in a huge diatom PSI-FCPI supercomplex.
Nat Commun, 11, 2020
3KR3
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BU of 3kr3 by Molmil
Crystal structure of IGF-II antibody complex
Descriptor: 1,2-ETHANEDIOL, Insulin-like growth factor II, antibody-Fab (heavy chain), ...
Authors:Peat, T.S, Newman, J, Adams, T.E.
Deposit date:2009-11-17
Release date:2010-06-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A human monoclonal antibody against insulin-like growth factor-II blocks the growth of human hepatocellular carcinoma cell lines in vitro and in vivo.
Mol.Cancer Ther., 9, 2010
3LPI
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BU of 3lpi by Molmil
Structure of BACE Bound to SCH745132
Descriptor: Beta-secretase 1, L(+)-TARTARIC ACID, N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylsulfonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
Authors:Strickland, C, Cumming, J.
Deposit date:2010-02-05
Release date:2010-04-14
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
3LPK
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BU of 3lpk by Molmil
Structure of BACE Bound to SCH747123
Descriptor: Beta-secretase 1, L(+)-TARTARIC ACID, N-[(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-{(2R)-4-[(3-methylphenyl)sulfonyl]piperazin-2-yl}ethyl]-3-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide
Authors:Strickland, C, Cumming, J.
Deposit date:2010-02-05
Release date:2010-04-14
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
3LNK
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BU of 3lnk by Molmil
Structure of BACE bound to SCH743813
Descriptor: Beta-secretase 1, L(+)-TARTARIC ACID, N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylcarbonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
Authors:Orth, P, Cumming, J.
Deposit date:2010-02-02
Release date:2010-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
3L7R
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BU of 3l7r by Molmil
crystal structure of MetE from streptococcus mutans
Descriptor: 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase, SULFATE ION, ZINC ION
Authors:Fu, T.M, Liang, Y.H, Su, X.D.
Deposit date:2009-12-29
Release date:2011-01-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.397 Å)
Cite:Crystal Structures of Cobalamin-Independent Methionine Synthase (MetE) from Streptococcus mutans: A Dynamic Zinc-Inversion Model
J.Mol.Biol., 412, 2011
3LOX
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BU of 3lox by Molmil
HCV NS3-4a protease domain with a ketoamide inhibitor derivative of Boceprevir bound
Descriptor: (1R,2S,5S)-N-[(2S,3R)-4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl]-6,6-dimethyl-3-{3-methyl-N-[(1-methylcyclohexyl)c arbamoyl]-L-valyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide, BETA-MERCAPTOETHANOL, HCV NS3 Protease, ...
Authors:Prongay, A.J.
Deposit date:2010-02-04
Release date:2011-02-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The introduction of P4 substituted 1-methylcyclohexyl groups into Boceprevir: a change in direction in the search for a second generation HCV NS3 protease inhibitor.
Bioorg.Med.Chem.Lett., 20, 2010
3LPJ
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BU of 3lpj by Molmil
Structure of BACE Bound to SCH743641
Descriptor: Beta-secretase 1, L(+)-TARTARIC ACID, N'-[(1S,2S)-2-[(2R)-4-benzylpiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
Authors:Strickland, C, Cumming, J.
Deposit date:2010-02-05
Release date:2010-04-14
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
7VLN
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BU of 7vln by Molmil
NSD2-PWWP1 domain bound with an imidazol-5-yl benzonitrile compound
Descriptor: 4-[5-[4-(aminomethyl)-2,6-dimethoxy-phenyl]-3-methyl-imidazol-4-yl]benzenecarbonitrile, Histone-lysine N-methyltransferase NSD2
Authors:Cao, D.Y, Li, Y.L, Li, J, Xiong, B.
Deposit date:2021-10-05
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Structure-Based Discovery of a Series of NSD2-PWWP1 Inhibitors.
J.Med.Chem., 65, 2022
5YP6
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BU of 5yp6 by Molmil
RORgamma (263-509) complexed with SRC2 and Compound 6
Descriptor: N-[3'-cyano-4'-(2-methylpropyl)-2-(trifluoromethyl)biphenyl-4-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, SRC2
Authors:Gao, M, Cai, W.
Deposit date:2017-11-01
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists
ACS Med Chem Lett, 9, 2018
5YP5
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BU of 5yp5 by Molmil
Crystal structure of RORgamma complexed with SRC2 and compound 5d
Descriptor: 2-[4-(ethylsulfonyl)phenyl]-N-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide, Nuclear receptor ROR-gamma, SRC2-2 peptide
Authors:Gao, M, Cai, W, Chunwa, C.
Deposit date:2017-11-01
Release date:2018-04-04
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists
ACS Med Chem Lett, 9, 2018
5Z5T
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BU of 5z5t by Molmil
The first bromodomain of BRD4 with compound BDF-2141
Descriptor: 2-amino-4-(1H-imidazol-1-yl)quinolin-8-ol, Bromodomain-containing protein 4
Authors:Zhang, H, Luo, C.
Deposit date:2018-01-20
Release date:2019-01-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.991 Å)
Cite:Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
5Z5V
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BU of 5z5v by Molmil
The first bromodomain of BRD4 with compound BDF-1253
Descriptor: Bromodomain-containing protein 4, N-{8-hydroxy-4-[(1H-imidazol-1-yl)methyl]quinolin-2-yl}acetamide
Authors:Zhang, H, Luo, C.
Deposit date:2018-01-20
Release date:2019-01-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
5Z5U
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BU of 5z5u by Molmil
The first bromodomain of BRD4 with compound BDF-2254
Descriptor: 2-amino-4-(1H-imidazol-1-yl)quinoline-6,8-diol, Bromodomain-containing protein 4
Authors:Zhang, H, Luo, C.
Deposit date:2018-01-20
Release date:2019-01-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.631 Å)
Cite:Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
8G2O
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BU of 8g2o by Molmil
Fab structure - Anti-ApoE-7C11 antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, anti-ApoE-7C11 heavy chain, anti-ApoE-7C11 light chain
Authors:Marino, C, Arboleda-Velasquez, J.F.
Deposit date:2023-02-06
Release date:2023-10-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:APOE Christchurch-mimetic therapeutic antibody reduces APOE-mediated toxicity and tau phosphorylation.
Alzheimers Dement, 20, 2024
4MDQ
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BU of 4mdq by Molmil
Structure of a novel submicromolar MDM2 inhibitor
Descriptor: 3-[(1R)-2-(benzylamino)-1-{[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl]-6-chloro-N-hydroxy-1H-indole-2-carboxamide, E3 ubiquitin-protein ligase Mdm2
Authors:Bista, M, Popowicz, G, Holak, T.A.
Deposit date:2013-08-23
Release date:2013-11-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.119 Å)
Cite:Transient Protein States in Designing Inhibitors of the MDM2-p53 Interaction.
Structure, 21, 2013
5WUK
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BU of 5wuk by Molmil
Crystal structure of EED [G255D] in complex with EZH2 peptide and EED226 compound
Descriptor: GLYCEROL, Histone-lysine N-methyltransferase EZH2, N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ...
Authors:Chen, Z.
Deposit date:2016-12-19
Release date:2017-05-03
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Split luciferase-based biosensors for characterizing EED binders
Anal. Biochem., 522, 2017
6KPO
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BU of 6kpo by Molmil
Crystal Structure of endo-beta-N-acetylglucosaminidase from Cordyceps militaris D154N/E156Q mutant in complex with fucosyl-N-acetylglucosamine-Asn
Descriptor: ASPARAGINE, Chitinase, DI(HYDROXYETHYL)ETHER, ...
Authors:Seki, H, Arakawa, T, Yamada, C, Takegawa, K, Fushinobu, S.
Deposit date:2019-08-15
Release date:2019-10-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural basis for the specific cleavage of core-fucosylatedN-glycans by endo-beta-N-acetylglucosaminidase from the fungusCordyceps militaris.
J.Biol.Chem., 294, 2019
6KPN
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BU of 6kpn by Molmil
Crystal Structure of endo-beta-N-acetylglucosaminidase from Cordyceps militaris D154N/E156Q mutant in complex with fucosyl-N-acetylglucosamine
Descriptor: Chitinase, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Seki, H, Arakawa, T, Yamada, C, Takegawa, K, Fushinobu, S.
Deposit date:2019-08-15
Release date:2019-10-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for the specific cleavage of core-fucosylatedN-glycans by endo-beta-N-acetylglucosaminidase from the fungusCordyceps militaris.
J.Biol.Chem., 294, 2019
2IHQ
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BU of 2ihq by Molmil
Crystal Structure of the Rat Androgen Receptor Ligand Binding Domian Complex with an N-Aryl-Hydroxybicyclohydantoin
Descriptor: 4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-1-NAPHTHONITRILE, Androgen receptor
Authors:Sack, J.S.
Deposit date:2006-09-27
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of potent, orally-active, and muscle-selective androgen receptor modulators based on an N-aryl-hydroxybicyclohydantoin scaffold.
J.Med.Chem., 49, 2006
6KPL
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BU of 6kpl by Molmil
Crystal Structure of endo-beta-N-acetylglucosaminidase from Cordyceps militaris in apo form
Descriptor: Chitinase, DI(HYDROXYETHYL)ETHER, TRIETHYLENE GLYCOL
Authors:Seki, H, Arakawa, T, Yamada, C, Takegawa, K, Fushinobu, S.
Deposit date:2019-08-15
Release date:2019-10-02
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for the specific cleavage of core-fucosylatedN-glycans by endo-beta-N-acetylglucosaminidase from the fungusCordyceps militaris.
J.Biol.Chem., 294, 2019

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