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6X59
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BU of 6x59 by Molmil
The mouse cGAS catalytic domain binding to human assembled nucleosome
Descriptor: Cyclic GMP-AMP synthase, DNA, Histone H2A type 1, ...
Authors:Pengbiao, X, Pingwei, L, Baoyu, Z.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:The molecular basis of tight nuclear tethering and inactivation of cGAS.
Nature, 587, 2020
4ISO
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BU of 4iso by Molmil
Crystal Structure of Matriptase in complex with its inhibitor HAI-1
Descriptor: DI(HYDROXYETHYL)ETHER, GLUTATHIONE, GLYCEROL, ...
Authors:Huang, M.D, Zhao, B.Y, Yuan, C, Li, R.
Deposit date:2013-01-16
Release date:2013-03-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structures of matriptase in complex with its inhibitor hepatocyte growth factor activator inhibitor-1.
J.Biol.Chem., 288, 2013
4ISL
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BU of 4isl by Molmil
Crystal Structure of the inactive Matriptase in complex with its inhibitor HAI-1
Descriptor: GLUTATHIONE, GLYCEROL, Kunitz-type protease inhibitor 1, ...
Authors:Huang, M.D, Zhao, B.Y, Yuan, C, Li, R.
Deposit date:2013-01-16
Release date:2013-03-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Crystal structures of matriptase in complex with its inhibitor hepatocyte growth factor activator inhibitor-1.
J.Biol.Chem., 288, 2013
4ISN
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BU of 4isn by Molmil
Crystal Structure of Matriptase in complex with its inhibitor HAI-1
Descriptor: GLUTATHIONE, Kunitz-type protease inhibitor 1, Suppressor of tumorigenicity 14 protein, ...
Authors:Huang, M.D, Zhao, B.Y, Yuan, C, Li, R.
Deposit date:2013-01-16
Release date:2013-03-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structures of matriptase in complex with its inhibitor hepatocyte growth factor activator inhibitor-1.
J.Biol.Chem., 288, 2013
4IS5
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BU of 4is5 by Molmil
Crystal Structure of the ligand-free inactive Matriptase
Descriptor: GLUTATHIONE, GLYCEROL, SULFATE ION, ...
Authors:Huang, M.D, Zhao, B.Y, Yuan, C, Li, R.
Deposit date:2013-01-16
Release date:2013-03-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal structures of matriptase in complex with its inhibitor hepatocyte growth factor activator inhibitor-1.
J.Biol.Chem., 288, 2013
5OB5
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BU of 5ob5 by Molmil
fAb complex with GroBeta. AbVance: increasing our knowledge of antibody structural space to enable faster and better decision-making in antibody drug discovery.
Descriptor: C-X-C motif chemokine 2, GLYCEROL, SULFATE ION, ...
Authors:Zhao, B, Ward, P, Convery, M.A.
Deposit date:2017-06-26
Release date:2017-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:AbVance: increasing our knowledge of antibody structural space to enable faster and better decision-making in antibody drug discovery
To Be Published
6WS5
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BU of 6ws5 by Molmil
Rational drug design of phenazopyridine derivatives as novel inhibitors of Rev1-CT
Descriptor: 3-[(Z)-(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine, DNA polymerase zeta catalytic subunit, DNA repair protein REV1, ...
Authors:McPherson, K.S, Korzhnev, D.M.
Deposit date:2020-04-30
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.472 Å)
Cite:Structure-Based Drug Design of Phenazopyridine Derivatives as Inhibitors of Rev1 Interactions in Translesion Synthesis.
Chemmedchem, 16, 2021
6WS0
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BU of 6ws0 by Molmil
Rational drug design of phenazopyridine derivatives as novel inhibitors of Rev1-CT
Descriptor: DNA polymerase zeta catalytic subunit, DNA repair protein REV1, Mitotic spindle assembly checkpoint protein MAD2B
Authors:McPherson, K.S, Korzhnev, D.M.
Deposit date:2020-04-30
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structure-Based Drug Design of Phenazopyridine Derivatives as Inhibitors of Rev1 Interactions in Translesion Synthesis.
Chemmedchem, 16, 2021
3EZX
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BU of 3ezx by Molmil
Structure of Methanosarcina barkeri monomethylamine corrinoid protein
Descriptor: 5-HYDROXYBENZIMIDAZOLYLCOBAMIDE, MAGNESIUM ION, Monomethylamine corrinoid protein 1
Authors:Jain, R.
Deposit date:2008-10-23
Release date:2009-12-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Structure of Methanosarcina barkeri monomethylamine corrinoid protein
TO BE PUBLISHED
6PCU
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BU of 6pcu by Molmil
VP8* of a G2P[4] human rotavirus in complex with scFv antibody 9
Descriptor: GLYCEROL, Outer capsid protein VP4, SULFATE ION, ...
Authors:Hu, L, Venkataram Prasad, B.V.
Deposit date:2019-06-18
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Human VP8* mAbs neutralize rotavirus selectively in human intestinal epithelial cells.
J.Clin.Invest., 130, 2019
8H77
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BU of 8h77 by Molmil
Hsp90-AhR-p23-XAP2 complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, AH receptor-interacting protein, Aryl hydrocarbon receptor, ...
Authors:Wen, Z.L, Zhai, Y.J, Zhu, Y, Sun, F.
Deposit date:2022-10-19
Release date:2023-01-04
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of the cytosolic AhR complex.
Structure, 31, 2023
1HBV
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BU of 1hbv by Molmil
A CHECK ON RATIONAL DRUG DESIGN. CRYSTAL STRUCTURE OF A COMPLEX OF HIV-1 PROTEASE WITH A NOVEL GAMMA-TURN MIMETIC
Descriptor: 2-[3-BENZYL-5-(1-ALANYL-AMINOETHYL)-2,3,6,7-TETRAHYDRO-1H-AZEPIN-1-YL]-1-OXOPROPYL-VALINYL-VALINE-METHYLESTER, HIV-1 PROTEASE
Authors:Hoog, S, Abdel-Meguid, S.
Deposit date:1995-03-29
Release date:1995-07-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A check on rational drug design: crystal structure of a complex of human immunodeficiency virus type 1 protease with a novel gamma-turn mimetic inhibitor.
J.Med.Chem., 38, 1995
4HP3
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BU of 4hp3 by Molmil
Crystal structure of Tet3 in complex with a CpG dsDNA
Descriptor: DNA (5'-D(*GP*CP*CP*AP*AP*CP*GP*TP*TP*GP*GP*C)-3'), LOC100036628 protein, UNKNOWN ATOM OR ION, ...
Authors:Chao, X, Tempel, W, Bian, C, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2012-10-23
Release date:2012-12-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Tet3 CXXC Domain and Dioxygenase Activity Cooperatively Regulate Key Genes for Xenopus Eye and Neural Development.
Cell(Cambridge,Mass.), 151, 2012
4HP1
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BU of 4hp1 by Molmil
Crystal structure of Tet3 in complex with a non-CpG dsDNA
Descriptor: DNA (5'-D(*GP*CP*CP*AP*CP*(5CM)P*GP*GP*TP*GP*GP*C)-3'), LOC100036628 protein, ZINC ION
Authors:Chao, X, Tempel, W, Bian, C, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2012-10-23
Release date:2012-12-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Tet3 CXXC Domain and Dioxygenase Activity Cooperatively Regulate Key Genes for Xenopus Eye and Neural Development.
Cell(Cambridge,Mass.), 151, 2012
6CV7
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BU of 6cv7 by Molmil
Mouse Protocadherin-15 Extracellular Cadherin Domains 1 through 3
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Dionne, G, Shapiro, L.
Deposit date:2018-03-27
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.692 Å)
Cite:Mechanotransduction by PCDH15 Relies on a Novel cis-Dimeric Architecture.
Neuron, 99, 2018
6DY7
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BU of 6dy7 by Molmil
WDR5 in complex with a WIN site inhibitor
Descriptor: DIMETHYL SULFOXIDE, N-[3-(2,4-dichlorophenoxy)propyl]-1H-imidazol-2-amine, SULFATE ION, ...
Authors:Phan, J, Wang, F, Fesik, S.W.
Deposit date:2018-07-01
Release date:2019-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E1Z
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BU of 6e1z by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
Descriptor: 5-[(1H-imidazol-1-yl)methyl]furan-2-carboxylic acid, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E23
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BU of 6e23 by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methylpyridin-3-yl)-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}benzamide, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E22
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BU of 6e22 by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
Descriptor: 3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide, SULFATE ION, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E1Y
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BU of 6e1y by Molmil
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
Descriptor: N-[(1S)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}benzamide, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.219 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6DYA
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BU of 6dya by Molmil
WDR5 in complex with a WIN site inhibitor
Descriptor: DIMETHYL SULFOXIDE, N-[(3,5-dichlorophenyl)methyl]-3-[(1H-imidazol-1-yl)methyl]benzamide, SULFATE ION, ...
Authors:Phan, J, Wang, F, Fesik, S.W.
Deposit date:2018-07-01
Release date:2019-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
2FTD
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BU of 2ftd by Molmil
Crystal structure of Cathepsin K complexed with 7-Methyl-Substituted Azepan-3-one compound
Descriptor: Cathepsin K, N-[(1S)-1-({[(3S,4S,7R)-3-HYDROXY-7-METHYL-1-(PYRIDIN-2-YLSULFONYL)-2,3,4,7-TETRAHYDRO-1H-AZEPIN-4-YL]AMINO}CARBONYL)-3-METHYLBUTYL]-1-BENZOFURAN-2-CARBOXAMIDE
Authors:Yamashita, D.S, Baoguang, Z.
Deposit date:2006-01-24
Release date:2007-01-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors.
J.Med.Chem., 49, 2006
6MI0
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BU of 6mi0 by Molmil
Crystal structure of the P450 domain of the CYP51-ferredoxin fusion protein from Methylococcus capsulatus, ligand-free state
Descriptor: Cytochrome P450 51, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hargrove, T, Wawrzak, Z, Lamb, D.C, Lepesheva, G.I.
Deposit date:2018-09-18
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Concerning P450 evolution: Structural Analyses Support Bacterial Origin of Sterol 14 alpha-Demethylases.
Mol.Biol.Evol., 2020
6NIR
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BU of 6nir by Molmil
Crystal structure of a GII.4 norovirus HOV protease
Descriptor: HOV protease, HOV protease fragment
Authors:Prasad, B.V.V, Hu, L.
Deposit date:2018-12-31
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.704 Å)
Cite:GII.4 Norovirus Protease Shows pH-Sensitive Proteolysis with a Unique Arg-His Pairing in the Catalytic Site.
J. Virol., 93, 2019
4JGV
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BU of 4jgv by Molmil
Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with THPN
Descriptor: 1-(3,4,5-trihydroxyphenyl)nonan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1
Authors:Zhang, Q, Li, F, Li, A, Tian, X, Wan, W, Wan, Y, Chen, H, Xing, Y, Wu, Q, Lin, T.
Deposit date:2013-03-04
Release date:2013-12-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway.
Nat.Chem.Biol., 10, 2014

223532

건을2024-08-07부터공개중

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