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1H2U
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BU of 1h2u by Molmil
Structure of the human nuclear cap-binding-complex (CBC) in complex with a cap analogue m7GpppG
Descriptor: 20 KDA NUCLEAR CAP BINDING PROTEIN, 7N-METHYL-8-HYDROGUANOSINE-5'-MONOPHOSPHATE, 80 KDA NUCLEAR CAP BINDING PROTEIN, ...
Authors:Mazza, C, Segref, A, Mattaj, I.W, Cusack, S.
Deposit date:2002-08-16
Release date:2002-10-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Large-Scale Induced Fit Recognition of an M(7)Gpppg CAP Analogue by the Human Nuclear CAP-Binding Complex
Embo J., 21, 2002
6NUJ
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BU of 6nuj by Molmil
HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor BI-224436
Descriptor: (2S)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid, Integrase
Authors:Lindenberger, J.J, Kvaratskhelia, M.
Deposit date:2019-02-01
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.100027 Å)
Cite:HIV-1 integrase tetramers are the antiviral target of pyridine-based allosteric integrase inhibitors.
Elife, 8, 2019
8JAQ
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BU of 8jaq by Molmil
Structure of CRL2APPBP2 bound with RxxGP degron (tetramer)
Descriptor: Amyloid protein-binding protein 2, Cullin-2, E3 ubiquitin-protein ligase RBX1, ...
Authors:Zhao, S, Zhang, K, Xu, C.
Deposit date:2023-05-06
Release date:2023-10-18
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Molecular basis for C-degron recognition by CRL2 APPBP2 ubiquitin ligase.
Proc.Natl.Acad.Sci.USA, 120, 2023
6K1S
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BU of 6k1s by Molmil
Discovery of Potent and Selective Covalent Protein Arginine Methyltransferase (PRMT5) Inhibitors
Descriptor: 1,2-ETHANEDIOL, 2-[[7-[(2~{R},3~{R},4~{S},5~{R})-5-[(~{R})-(4-chlorophenyl)-oxidanyl-methyl]-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanal, DIMETHYL SULFOXIDE, ...
Authors:Tong, S, Lin, H.
Deposit date:2019-05-12
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of Potent and Selective Covalent Protein Arginine Methyltransferase 5 (PRMT5) Inhibitors.
Acs Med.Chem.Lett., 10, 2019
4DPI
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BU of 4dpi by Molmil
BACE-1 in complex with HEA-macrocyclic inhibitor, MV078512
Descriptor: (4S,8E,11R)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-16-methyl-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione, Beta-secretase 1
Authors:Lindberg, J, Borkakoti, N, Derbyshire, D.
Deposit date:2012-02-13
Release date:2012-07-11
Last modified:2013-01-02
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: design, synthesis and X-ray crystal structures of enzyme inhibitor complexes.
Bioorg.Med.Chem., 20, 2012
6DQO
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BU of 6dqo by Molmil
Crystal structure of SsuE FMN reductase Y118A mutant in FMN bound form.
Descriptor: FLAVIN MONONUCLEOTIDE, FMN reductase (NADPH), GLYCEROL
Authors:McFarlane, J.S, Ellis, H.R, Lamb, A.L.
Deposit date:2018-06-11
Release date:2019-01-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.705 Å)
Cite:Not as easy as pi : An insertional residue does not explain the pi-helix gain-of-function in two-component FMN reductases.
Protein Sci., 28, 2019
8JAS
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BU of 8jas by Molmil
Structure of CRL2APPBP2 bound with RxxGPAA degron (tetramer)
Descriptor: Amyloid protein-binding protein 2, Cullin-2, E3 ubiquitin-protein ligase RBX1, ...
Authors:Zhao, S, Zhang, K, Xu, C.
Deposit date:2023-05-07
Release date:2023-10-18
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Molecular basis for C-degron recognition by CRL2 APPBP2 ubiquitin ligase.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JAV
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BU of 8jav by Molmil
Structure of CRL2APPBP2 bound with the C-degron of MRPL28 (tetramer)
Descriptor: Amyloid protein-binding protein 2, Cullin-2, E3 ubiquitin-protein ligase RBX1, ...
Authors:Zhao, S, Zhang, K, Xu, C.
Deposit date:2023-05-07
Release date:2023-10-18
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:Molecular basis for C-degron recognition by CRL2 APPBP2 ubiquitin ligase.
Proc.Natl.Acad.Sci.USA, 120, 2023
6NMN
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BU of 6nmn by Molmil
Ternary complex structure of the T130K mutant of ANT-4'' with Neomycin and ATP (No Pyrophosphate)
Descriptor: ADENOSINE MONOPHOSPHATE, Kanamycin nucleotidyltransferase, MAGNESIUM ION, ...
Authors:Cuneo, M.J, Selvaraj, B.
Deposit date:2019-01-11
Release date:2020-01-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Catch and release: A novel variation of the archetypal nucleotidyl transfer reaction
to be published
6NWK
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BU of 6nwk by Molmil
Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with dexamethasone and PGC1a coregulator fragment
Descriptor: ACETYL GROUP, DEXAMETHASONE, DIMETHYL SULFOXIDE, ...
Authors:Liu, X, Ortlund, E.A.
Deposit date:2019-02-06
Release date:2019-10-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:First High-Resolution Crystal Structures of the Glucocorticoid Receptor Ligand-Binding Domain-Peroxisome Proliferator-ActivatedgammaCoactivator 1-alphaComplex with Endogenous and Synthetic Glucocorticoids.
Mol.Pharmacol., 96, 2019
4DCM
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BU of 4dcm by Molmil
Crystal Structure of methyltransferase RlmG modifying G1835 of 23S rRNA in Escherichia coli
Descriptor: DI(HYDROXYETHYL)ETHER, Ribosomal RNA large subunit methyltransferase G, S-ADENOSYLMETHIONINE
Authors:Zhang, H, Gao, Z.Q, Dong, Y.H.
Deposit date:2012-01-17
Release date:2012-08-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.297 Å)
Cite:Structural insights into the function of 23S rRNA methyltransferase RlmG (m2G1835) from Escherichia coli.
Rna, 18, 2012
6DB6
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BU of 6db6 by Molmil
Crystal structure of anti-HIV-1 V3 Fab 311-11D in complex with a HIV-1 gp120 V3 peptide from MN strain
Descriptor: HIV-1 gp120 V3 peptide from MN strain, Human monoclonal anti-HIV-1 gp120 V3 antibody 311-11D Fab heavy chain, Human monoclonal anti-HIV-1 gp120 V3 antibody 311-11D Fab light chain, ...
Authors:Chan, K.-W, Kong, X.-P.
Deposit date:2018-05-02
Release date:2018-07-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.978 Å)
Cite:Structural Comparison of Human Anti-HIV-1 gp120 V3 Monoclonal Antibodies of the Same Gene Usage Induced by Vaccination and Chronic Infection.
J. Virol., 92, 2018
4E28
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BU of 4e28 by Molmil
Structure of human thymidylate synthase in inactive conformation with a novel non-peptidic inhibitor
Descriptor: 2-{(2Z,5S)-4-hydroxy-2-[(2E)-(2-hydroxybenzylidene)hydrazinylidene]-2,5-dihydro-1,3-thiazol-5-yl}-N-[3-(trifluoromethyl)phenyl]acetamide, 2-{(5S)-2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-N-[3-(trifluoromethyl)phenyl]acetamide, SULFATE ION, ...
Authors:Tochowicz, A, Finer-Moore, J, Stroud, R.M, Costi, M.P.
Deposit date:2012-03-07
Release date:2012-11-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Inhibitor of ovarian cancer cells growth by virtual screening: a new thiazole derivative targeting human thymidylate synthase.
J.Med.Chem., 55, 2012
1H2T
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BU of 1h2t by Molmil
Structure of the human nuclear cap-binding-complex (CBC) in complex with a cap analogue m7GpppG
Descriptor: 20 KDA NUCLEAR CAP BINDING PROTEIN, 7N-METHYL-8-HYDROGUANOSINE-5'-MONOPHOSPHATE, 80 KDA NUCLEAR CAP BINDING PROTEIN, ...
Authors:Mazza, C, Segref, A, Mattaj, I.W, Cusack, S.
Deposit date:2002-08-16
Release date:2002-10-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Large-Scale Induced Fit Recognition of an M(7)Gpppg CAP Analogue by the Human Nuclear CAP-Binding Complex
Embo J., 21, 2002
4DHS
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BU of 4dhs by Molmil
Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening
Descriptor: (2-{2-[(3,5-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 PROTEIN SIGMA, CHLORIDE ION, ...
Authors:Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C.
Deposit date:2012-01-30
Release date:2013-07-31
Last modified:2013-09-04
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
6D66
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BU of 6d66 by Molmil
Crystal structure of the human dual specificity 1 catalytic domain (C258S) as a maltose binding protein fusion in complex with the designed AR protein mbp3_16
Descriptor: 1,2-ETHANEDIOL, D-ALANINE, DI(HYDROXYETHYL)ETHER, ...
Authors:Gumpena, R, Waugh, D.S, Lountos, G.T.
Deposit date:2018-04-20
Release date:2018-09-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.226 Å)
Cite:MBP-binding DARPins facilitate the crystallization of an MBP fusion protein.
Acta Crystallogr F Struct Biol Commun, 74, 2018
4DH4
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BU of 4dh4 by Molmil
Macrophage migration inhibitory factor Toxoplasma gondii
Descriptor: MIF, SULFATE ION
Authors:Richardson, J.M.
Deposit date:2012-01-27
Release date:2012-11-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Biochemical and Immunological Characterization of Toxoplasma gondii Macrophage Migration Inhibitory Factor.
J.Biol.Chem., 288, 2013
6DB5
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BU of 6db5 by Molmil
Crystal structure of anti-HIV-1 V3 Fab TA6 in complex with a HIV-1 gp120 V3 peptide from NY5 strain
Descriptor: HIV-1 gp120 V3 peptide from NY5 strain, Human monoclonal anti-HIV-1 gp120 V3 antibody TA6 Fab heavy chain, Human monoclonal anti-HIV-1 gp120 V3 antibody TA6 Fab light chain
Authors:Chan, K.-W, Kong, X.-P.
Deposit date:2018-05-02
Release date:2018-07-11
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (2.599 Å)
Cite:Structural Comparison of Human Anti-HIV-1 gp120 V3 Monoclonal Antibodies of the Same Gene Usage Induced by Vaccination and Chronic Infection.
J. Virol., 92, 2018
1H2V
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BU of 1h2v by Molmil
Structure of the human nuclear cap-binding-complex (CBC)
Descriptor: 20 KDA NUCLEAR CAP BINDING PROTEIN, 80 KDA NUCLEAR CAP BINDING PROTEIN
Authors:Mazza, C, Segref, A, Mattaj, I.W, Cusack, S.
Deposit date:2002-08-16
Release date:2002-10-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Large-Scale Induced Fit Recognition of an M(7)Gpppg CAP Analogue by the Human Nuclear CAP-Binding Complex
Embo J., 21, 2002
3OKI
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BU of 3oki by Molmil
Crystal structure of human FXR in complex with (2S)-2-[2-(4-chlorophenyl)-1H-benzimidazol-1-yl]-N,2-dicyclohexylethanamide
Descriptor: (2S)-2-[2-(4-chlorophenyl)-1H-benzimidazol-1-yl]-N,2-dicyclohexylethanamide, Bile acid receptor, peptide of Nuclear receptor coactivator 1
Authors:Rudolph, M.G.
Deposit date:2010-08-25
Release date:2010-12-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of novel and orally active FXR agonists for the potential treatment of dyslipidemia & diabetes
Bioorg.Med.Chem.Lett., 21, 2010
6DNH
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BU of 6dnh by Molmil
Cryo-EM structure of human CPSF-160-WDR33-CPSF-30-PAS RNA complex at 3.4 A resolution
Descriptor: Cleavage and polyadenylation specificity factor subunit 1, Cleavage and polyadenylation specificity factor subunit 4, RNA (5'-R(P*AP*AP*UP*AP*AP*AP*C)-3'), ...
Authors:Sun, Y, Zhang, Y, Hamilton, K, Walz, T, Tong, L.
Deposit date:2018-06-06
Release date:2018-06-27
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Molecular basis for the recognition of the human AAUAAA polyadenylation signal.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3OMM
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BU of 3omm by Molmil
Crystal structure of human FXR in complex with 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-fluorobenzoic acid
Descriptor: 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-fluorobenzoic acid, Bile acid receptor, peptide of Nuclear receptor coactivator 1
Authors:Rudolph, M.G.
Deposit date:2010-08-27
Release date:2011-01-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Optimization of a novel class of benzimidazole-based farnesoid X receptor (FXR) agonists to improve physicochemical and ADME properties
Bioorg.Med.Chem.Lett., 21, 2011
3OOU
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BU of 3oou by Molmil
The structure of a protein with unkown function from Listeria innocua
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Lin2118 protein
Authors:Fan, Y, Mack, J, Feldman, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-08-31
Release date:2010-09-22
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:The structure of a protein with unkown function from Listeria innocua
To be Published
6DTN
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BU of 6dtn by Molmil
The structure of NTMT1 in complex with compound DC100-1
Descriptor: (6D6)PPKRIA(NH2), DC100-1, N-terminal Xaa-Pro-Lys N-methyltransferase 1
Authors:Noinaj, N, Chen, D, Huang, R.
Deposit date:2018-06-18
Release date:2019-04-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.475 Å)
Cite:Discovery of Bisubstrate Inhibitors for Protein N-Terminal Methyltransferase 1.
J. Med. Chem., 62, 2019
3L5Z
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BU of 3l5z by Molmil
Crystal structure of transcriptional regulator, GntR family from Bacillus cereus
Descriptor: 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, Transcriptional regulator, ...
Authors:Chang, C, Hatzos, C, Feldmann, B, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-12-22
Release date:2010-01-05
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of transcriptional regulator, GntR family from Bacillus cereus
To be Published

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數據於2024-09-11公開中

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