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2KMI
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BU of 2kmi by Molmil
MESD(12-155), The Core Structural Domain of MESD that Is Essential for Proper Folding of LRP5/6
Descriptor: Mesoderm development candidate 2
Authors:Chen, J, Wang, J.
Deposit date:2009-07-28
Release date:2010-06-23
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR structure note: solution structure of the core domain of MESD that is essential for proper folding of LRP5/6.
J.Biomol.Nmr, 47, 2010
2OH0
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BU of 2oh0 by Molmil
Crystal structure of Protein Kinase A in complex with Pyridine-Pyrazolopyridine Based Inhibitors
Descriptor: (2S)-1-{[5-(1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}-3-[(7AS)-7AH-INDOL-3-YL]PROPAN-2-AMINE, Inhibitory peptide, cAMP-dependent protein kinase, ...
Authors:Stoll, V.S.
Deposit date:2007-01-09
Release date:2007-03-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design and synthesis of pyridine-pyrazolopyridine-based inhibitors of protein kinase B/Akt.
Bioorg.Med.Chem., 15, 2007
3U91
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BU of 3u91 by Molmil
Structural Determinants of Trimerization Specificity in HIV-1 gp41 Protein
Descriptor: Gp41, O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500)
Authors:Liu, J, Lu, M.
Deposit date:2011-10-17
Release date:2013-04-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural Determinants of Trimerization Specificity in HIV-1 gp41 Protein
To be Published
6J1L
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BU of 6j1l by Molmil
Crystal Structure Analysis of the ROR gamma(C455E)
Descriptor: 2-[4-(ethylsulfonyl)phenyl]-N-[2'-fluoro-4'-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)[1,1'-biphenyl]-4-yl]acetamide, Nuclear receptor ROR-gamma
Authors:zhang, Y, Li, C.C, wu, X.S.
Deposit date:2018-12-28
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and Characterization of XY101, a Potent, Selective, and Orally Bioavailable ROR gamma Inverse Agonist for Treatment of Castration-Resistant Prostate Cancer.
J.Med.Chem., 62, 2019
3VHP
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BU of 3vhp by Molmil
The insertion mutant Y61GG of Tm Cel12A
Descriptor: Endo-1,4-beta-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Cheng, Y.-S, Ko, T.-P, Guo, R.-T, Liu, J.-R.
Deposit date:2011-08-30
Release date:2012-07-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Enhanced activity of Thermotoga maritima cellulase 12A by mutating a unique surface loop
Appl.Microbiol.Biotechnol., 95, 2012
8HDS
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BU of 8hds by Molmil
Cyanophage Pam3 portal-adaptor
Descriptor: Pam3 adaptor protein, Pam3 portal protein
Authors:Yang, F, Jiang, Y.L, Zhou, C.Z.
Deposit date:2022-11-06
Release date:2023-01-18
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.57 Å)
Cite:Fine structure and assembly pattern of a minimal myophage Pam3.
Proc.Natl.Acad.Sci.USA, 120, 2023
8HDT
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BU of 8hdt by Molmil
Cyanophage Pam3 capsid asymmetric unit
Descriptor: Cement, Major capsid
Authors:Yang, F, Jiang, Y.L, Zhou, C.Z.
Deposit date:2022-11-06
Release date:2023-01-18
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Fine structure and assembly pattern of a minimal myophage Pam3.
Proc.Natl.Acad.Sci.USA, 120, 2023
8HDW
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BU of 8hdw by Molmil
Cyanophage Pam3 Sheath-tube
Descriptor: Pam3 sheath protein, pam3 tube
Authors:Yang, F, Jiang, Y.L, Zhou, C.Z.
Deposit date:2022-11-06
Release date:2023-01-18
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Fine structure and assembly pattern of a minimal myophage Pam3.
Proc.Natl.Acad.Sci.USA, 120, 2023
8HDR
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BU of 8hdr by Molmil
Cyanophage Pam3 neck
Descriptor: Pam3 adaptor protein, Pam3 connector protein, Pam3 sheath protein, ...
Authors:Yang, F, Jiang, Y.L, Zhou, C.Z.
Deposit date:2022-11-06
Release date:2023-02-01
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.66 Å)
Cite:Fine structure and assembly pattern of a minimal myophage Pam3.
Proc.Natl.Acad.Sci.USA, 120, 2023
3VHN
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BU of 3vhn by Molmil
Y61G mutant of Cellulase 12A from thermotoga maritima
Descriptor: Endo-1,4-beta-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Cheng, Y.-S, Ko, T.-P, Guo, R.-T, Liu, J.-R.
Deposit date:2011-08-30
Release date:2012-07-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Enhanced activity of Thermotoga maritima cellulase 12A by mutating a unique surface loop
Appl.Microbiol.Biotechnol., 95, 2012
3VHO
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BU of 3vho by Molmil
Y61-gg insertion mutant of Tm-Cellulase 12A
Descriptor: Endo-1,4-beta-glucanase
Authors:Cheng, Y.-S, Ko, T.-P, Guo, R.-T, Liu, J.-R.
Deposit date:2011-08-30
Release date:2012-07-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Enhanced activity of Thermotoga maritima cellulase 12A by mutating a unique surface loop
Appl.Microbiol.Biotechnol., 95, 2012
3UIA
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BU of 3uia by Molmil
Structural Determinants of Trimerization Specificity in HIV-1 gp41 Protein
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Glycoprotein 41
Authors:Liu, J, Lu, M.
Deposit date:2011-11-04
Release date:2013-05-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Determinants of Trimerization Specificity in HIV-1 gp41 Protein
To be Published
7YFW
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BU of 7yfw by Molmil
Cyanophage Pam3 fiber
Descriptor: Pam3 fiber proreins
Authors:Yang, F, Jiang, Y.L, Zhou, C.Z.
Deposit date:2022-07-09
Release date:2023-01-18
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.96 Å)
Cite:Fine structure and assembly pattern of a minimal myophage Pam3.
Proc.Natl.Acad.Sci.USA, 120, 2023
7YFZ
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BU of 7yfz by Molmil
Cyanophage Pam3 baseplate proteins
Descriptor: Pam3 baseplate wedge gp22, Pam3 baseplate wedge gp23, Pam3 hub gp19, ...
Authors:Yang, F, Jiang, Y.L, Zhou, C.Z.
Deposit date:2022-07-09
Release date:2023-01-18
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Fine structure and assembly pattern of a minimal myophage Pam3.
Proc.Natl.Acad.Sci.USA, 120, 2023
4N0F
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BU of 4n0f by Molmil
Human FcRn complexed with human serum albumin
Descriptor: Beta-2-microglobulin, IgG receptor FcRn large subunit p51, Serum albumin
Authors:Oganesyan, V, Wu, H, Dall'Acqua, W.F.
Deposit date:2013-10-01
Release date:2014-02-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Structural Insights into Neonatal Fc Receptor-based Recycling Mechanisms.
J.Biol.Chem., 289, 2014
4N0U
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BU of 4n0u by Molmil
Ternary complex between Neonatal Fc receptor, serum albumin and Fc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, Ig gamma-1 chain C region, ...
Authors:Oganesyan, V, Wu, H, Dall'Acqua, W.F.
Deposit date:2013-10-02
Release date:2014-02-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structural Insights into Neonatal Fc Receptor-based Recycling Mechanisms.
J.Biol.Chem., 289, 2014
4FLP
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BU of 4flp by Molmil
Crystal Structure of the first bromodomain of human BRDT in complex with the inhibitor JQ1
Descriptor: (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, Bromodomain testis-specific protein, POTASSIUM ION
Authors:Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Canning, P, Muniz, J, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bradner, J, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2012-06-15
Release date:2012-07-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Small-Molecule Inhibition of BRDT for Male Contraception.
Cell(Cambridge,Mass.), 150, 2012
4NSP
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BU of 4nsp by Molmil
Crystal structure of human ENDOV
Descriptor: Endonuclease V
Authors:Xie, W, Zhang, Z, Hao, Z.
Deposit date:2013-11-28
Release date:2014-09-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of human endonuclease V as an inosine-specific ribonuclease.
Acta Crystallogr.,Sect.D, 70, 2014
4NFW
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BU of 4nfw by Molmil
Structure and atypical hydrolysis mechanism of the Nudix hydrolase Orf153 (YmfB) from Escherichia coli
Descriptor: MANGANESE (II) ION, Putative Nudix hydrolase ymfB, SULFATE ION
Authors:Hong, M.K, Kim, J.K, Kang, L.W.
Deposit date:2013-11-01
Release date:2014-05-14
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Divalent metal ion-based catalytic mechanism of the Nudix hydrolase Orf153 (YmfB) from Escherichia coli
Acta Crystallogr.,Sect.D, 70, 2014
4NFX
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BU of 4nfx by Molmil
Structure and atypical hydrolysis mechanism of the Nudix hydrolase Orf153 (YmfB) from Escherichia coli
Descriptor: Putative Nudix hydrolase ymfB
Authors:Hong, M.K, Kim, J.K, Kang, L.W.
Deposit date:2013-11-01
Release date:2014-05-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Divalent metal ion-based catalytic mechanism of the Nudix hydrolase Orf153 (YmfB) from Escherichia coli
Acta Crystallogr.,Sect.D, 70, 2014
6EGA
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BU of 6ega by Molmil
IRAK4 in complex with a type II inhibitor
Descriptor: 3-{2-[(cyclopropanecarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(piperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide, COBALT (II) ION, Interleukin-1 receptor-associated kinase 4, ...
Authors:Wang, L, Wu, H.
Deposit date:2018-08-19
Release date:2019-02-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.512 Å)
Cite:Conformational flexibility and inhibitor binding to unphosphorylated interleukin-1 receptor-associated kinase 4 (IRAK4).
J.Biol.Chem., 294, 2019
6EG9
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BU of 6eg9 by Molmil
IRAK4 in complex with Ponatinib
Descriptor: 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, COBALT (II) ION, Interleukin-1 receptor-associated kinase 4, ...
Authors:Wang, L, Wu, H.
Deposit date:2018-08-19
Release date:2019-02-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.414 Å)
Cite:Conformational flexibility and inhibitor binding to unphosphorylated interleukin-1 receptor-associated kinase 4 (IRAK4).
J.Biol.Chem., 294, 2019
6EGF
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BU of 6egf by Molmil
Crystal structure of the inactive unphosphorylated IRAK4 kinase domain bound to AMP-PNP
Descriptor: Interleukin-1 receptor-associated kinase 4, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Ferrao, R, Wu, H.
Deposit date:2018-08-19
Release date:2019-02-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Conformational flexibility and inhibitor binding to unphosphorylated interleukin-1 receptor-associated kinase 4 (IRAK4).
J.Biol.Chem., 294, 2019
4GHI
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BU of 4ghi by Molmil
Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains in complex with a benzoxadiazole antagonist
Descriptor: Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, N-(3-chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Authors:Scheuermann, T.H, Key, J, Tambar, U.K, Bruick, R.K, Gardner, K.H.
Deposit date:2012-08-07
Release date:2013-02-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Allosteric inhibition of hypoxia inducible factor-2 with small molecules.
Nat.Chem.Biol., 9, 2013
6LU5
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BU of 6lu5 by Molmil
Crystal structure of BPTF-BRD with ligand DCBPin5 bound
Descriptor: 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF
Authors:Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C.
Deposit date:2020-01-25
Release date:2021-04-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.86527729 Å)
Cite:Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published

238582

数据于2025-07-09公开中

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