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8Y5B
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BU of 8y5b by Molmil
Crystal structure of TRIM21 PRYSPRY (D355A) in complex with (R)-hydroxyl-acepromazine.
分子名称: (1~{R})-1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol, E3 ubiquitin-protein ligase TRIM21
著者Lu, P, Cheng, Y, Xue, L, Ren, X, Huang, N, Han, T.
登録日2024-01-31
公開日2024-10-09
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Selective degradation of multimeric proteins by TRIM21-based molecular glue and PROTAC degraders.
Cell, 187, 2024
8CX9
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BU of 8cx9 by Molmil
Structure of the SARS-COV2 PLpro (C111S) in complex with a dimeric Ubv that inhibits activity by an unusual allosteric mechanism
分子名称: BROMIDE ION, CHLORIDE ION, Papain-like protease nsp3, ...
著者Singer, A.U, Slater, C.L, Patel, A, Russel, R, Mark, B.L, Sidhu, S.S.
登録日2022-05-20
公開日2023-01-25
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Ubiquitin variants potently inhibit SARS-CoV-2 PLpro and viral replication via a novel site distal to the protease active site.
Plos Pathog., 18, 2022
6J3P
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BU of 6j3p by Molmil
Crystal structure of the human GCN5 bromodomain in complex with compound (R,R)-36n
分子名称: 2-{[(3R,5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpiperidin-3-yl]amino}-3-methyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, Histone acetyltransferase KAT2A
著者Huang, L.Y, Li, H, Niu, L, Wu, C.Y, Yu, Y.M, Li, L.L, Yang, S.Y.
登録日2019-01-05
公開日2019-05-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.598 Å)
主引用文献Discovery of Pyrrolo[3,2- d]pyrimidin-4-one Derivatives as a New Class of Potent and Cell-Active Inhibitors of P300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 62, 2019
6J3O
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BU of 6j3o by Molmil
Crystal structure of the human PCAF bromodomain in complex with compound 12
分子名称: 3-methyl-2-[[(3~{R})-1-methylpiperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one, Histone acetyltransferase KAT2B
著者Huang, L.Y, Li, H, Li, L.L, Niu, L, Seupel, R, Wu, C.Y, Li, G.B, Yu, Y.M, Brennan, P.E, Yang, S.Y.
登録日2019-01-05
公開日2019-05-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Discovery of Pyrrolo[3,2- d]pyrimidin-4-one Derivatives as a New Class of Potent and Cell-Active Inhibitors of P300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 62, 2019
4OA7
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BU of 4oa7 by Molmil
Crystal structure of Tankyrase1 in complex with IWR1
分子名称: 4-[(3aR,4R,7S,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide, Tankyrase-1, ZINC ION
著者Zhang, X, He, H.
登録日2014-01-03
公開日2015-01-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Disruption of Wnt/ beta-Catenin Signaling and Telomeric Shortening Are Inextricable Consequences of Tankyrase Inhibition in Human Cells.
Mol.Cell.Biol., 35, 2015
5X8I
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BU of 5x8i by Molmil
Crystal structure of human CLK1 in complex with compound 25
分子名称: 5-[1-[(1S)-1-(4-fluorophenyl)ethyl]-[1,2,3]triazolo[4,5-c]quinolin-8-yl]-1,3-benzoxazole, Dual specificity protein kinase CLK1
著者Sun, Q.Z, Lin, G.F, Li, L.L, Jin, X.T, Huang, L.Y, Zhang, G, Wei, Y.Q, Lu, G.W, Yang, S.Y.
登録日2017-03-02
公開日2017-08-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献Discovery of Potent and Selective Inhibitors of Cdc2-Like Kinase 1 (CLK1) as a New Class of Autophagy Inducers
J. Med. Chem., 60, 2017
2M75
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BU of 2m75 by Molmil
The C-terminal Region of Disintegrin Modulate its 3D Conformation and Cooperate with RGD Loop in Regulating Recognitions of Integrins
分子名称: Zinc metalloproteinase/disintegrin
著者Chuang, W, Chang, Y, Shiu, J.
登録日2013-04-18
公開日2013-05-22
最終更新日2024-11-20
実験手法SOLUTION NMR
主引用文献The C-terminal Region of Disintegrin Modulate its 3D Conformation and Cooperate with RGD Loop in Regulating Recognitions of Integrins
To be Published
2M7H
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BU of 2m7h by Molmil
The C-terminal Region of Disintegrin Modulate its 3D Conformation and Cooperate with RGD Loop in Regulating Integrin alpha-IIb beta-3 Recognition
分子名称: Zinc metalloproteinase/disintegrin
著者Chuang, W, Chang, Y.
登録日2013-04-22
公開日2013-05-22
最終更新日2024-11-13
実験手法SOLUTION NMR
主引用文献The C-terminal Region of Disintegrin Modulate its 3D Conformation and Cooperate with RGD Loop in Regulating Recognitions of Integrins
To be Published
2M7F
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BU of 2m7f by Molmil
The C-terminal Region of Disintegrin Modulate its 3D Conformation and Cooperate with RGD Loop in Regulating Integrins Recognitions
分子名称: Zinc metalloproteinase/disintegrin
著者Chuang, W, Chang, Y.
登録日2013-04-22
公開日2013-05-22
最終更新日2024-10-30
実験手法SOLUTION NMR
主引用文献The C-terminal Region of Disintegrin Modulate its 3D Conformation and Cooperate with RGD Loop in Regulating Recognitions of Integrins
To be Published
5A2T
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BU of 5a2t by Molmil
The Molecular Basis for Flexibility in the Flexible Filamentous Plant Viruses
分子名称: BAMBOO MOSAIC VIRUS, COAT PROTEIN
著者DiMaio, F, Chen, C.C, Yu, X, Frenz, B, Hsu, Y.H, Lin, N.S, Egelman, E.H.
登録日2015-05-23
公開日2015-07-22
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (5.6 Å)
主引用文献The Molecular Basis for Flexibility in the Flexible Filamentous Plant Viruses.
Nat.Struct.Mol.Biol., 22, 2015
3BYQ
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BU of 3byq by Molmil
Crystal structure of a duf1185 family protein (bb2672) from bordetella bronchiseptica rb50 at 1.70 A resolution
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, TETRAETHYLENE GLYCOL, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2008-01-16
公開日2008-01-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of the first representatives of Pfam family PF06684 (DUF1185) reveal a novel variant of the Bacillus chorismate mutase fold and suggest a role in amino-acid metabolism.
Acta Crystallogr.,Sect.F, 66, 2010
4KSY
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BU of 4ksy by Molmil
Crystal structure of STING in complex with cGAMP
分子名称: Stimulator of interferon genes protein, cGAMP
著者Zhang, X, Chen, Z.J, Zhang, X.W.
登録日2013-05-18
公開日2013-06-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.881 Å)
主引用文献Cyclic GMP-AMP Containing Mixed Phosphodiester Linkages Is An Endogenous High-Affinity Ligand for STING.
Mol.Cell, 51, 2013
3B77
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BU of 3b77 by Molmil
Crystal structure of a ph domain containing bacterial protein (exig_2160) from exiguobacterium sibiricum 255-15 at 2.42 A resolution
分子名称: Uncharacterized protein
著者Joint Center for Structural Genomics (JCSG)
登録日2007-10-30
公開日2007-11-13
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Bacterial pleckstrin homology domains: a prokaryotic origin for the PH domain.
J.Mol.Biol., 396, 2010
5ZXD
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BU of 5zxd by Molmil
Crystal structure of ATP-bound human ABCF1
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family F member 1
著者Qu, L, Jiang, Y, Liu, Z.J.
登録日2018-05-18
公開日2018-07-25
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.288 Å)
主引用文献Crystal Structure of ATP-Bound Human ABCF1 Demonstrates a Unique Conformation of ABC Proteins
Structure, 26, 2018
2JTC
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BU of 2jtc by Molmil
3D structure and backbone dynamics of SPE B
分子名称: Streptopain
著者Chuang, W, Wang, C, Houng, H, Chen, C, Wang, P.
登録日2007-07-26
公開日2008-08-26
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure and backbone dynamics of streptopain: insight into diverse substrate specificity.
J.Biol.Chem., 284, 2009
3D00
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BU of 3d00 by Molmil
Crystal structure of a tungsten formylmethanofuran dehydrogenase subunit e (fmde)-like protein (syn_00638) from syntrophus aciditrophicus at 1.90 A resolution
分子名称: CHLORIDE ION, Tungsten formylmethanofuran dehydrogenase subunit E, ZINC ION
著者Joint Center for Structural Genomics (JCSG)
登録日2008-04-30
公開日2008-05-20
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of three members of Pfam PF02663 (FmdE) implicated in microbial methanogenesis reveal a conserved alpha+beta core domain and an auxiliary C-terminal treble-clef zinc finger.
Acta Crystallogr.,Sect.F, 66, 2010
3CGH
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BU of 3cgh by Molmil
Crystal structure of a susd homolog (bt_3984) from bacteroides thetaiotaomicron vpi-5482 at 1.70 A resolution
分子名称: ACETATE ION, SusD homolog, ZINC ION
著者Joint Center for Structural Genomics (JCSG)
登録日2008-03-05
公開日2008-03-18
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of BT_3984, a member of the SusD/RagB family of nutrient-binding molecules.
Acta Crystallogr.,Sect.F, 66, 2010
9IW1
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BU of 9iw1 by Molmil
wild type NMN/NaMN adenylyltransferase from Chaetomium thermophilum
分子名称: 1,2-ETHANEDIOL, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
著者Qian, X.-L, Zheng, Y.-C, Chen, C, Xu, J.-H.
登録日2024-07-24
公開日2025-06-25
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Biochemical and structural characterization of a novel nicotinamide mononucleotide adenylyltransferase from thermophilic fungi Chaetomium thermophilum.
Biochem.Biophys.Res.Commun., 776, 2025
5JP9
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BU of 5jp9 by Molmil
Crystal Structure of cytidine monophosphate hydroxymethylase MilA with dCMP
分子名称: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, CMP 5-hydroxymethylase
著者Zhao, G, He, X.
登録日2016-05-03
公開日2017-03-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Structural basis of the substrate preference towards CMP for a thymidylate synthase MilA involved in mildiomycin biosynthesis
Sci Rep, 6, 2016
3C7L
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BU of 3c7l by Molmil
Molecular architecture of Galphao and the structural basis for RGS16-mediated deactivation
分子名称: Regulator of G-protein signaling 16
著者Slep, K.C, Kercher, M.A, Wieland, T, Chen, C, Simon, M.I, Sigler, P.B.
登録日2008-02-07
公開日2008-05-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Molecular architecture of G{alpha}o and the structural basis for RGS16-mediated deactivation.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3C7K
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BU of 3c7k by Molmil
Molecular architecture of Galphao and the structural basis for RGS16-mediated deactivation
分子名称: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(o) subunit alpha, MAGNESIUM ION, ...
著者Slep, K.C, Kercher, M.A, Wieland, T, Chen, C, Simon, M.I, Sigler, P.B.
登録日2008-02-07
公開日2008-05-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Molecular architecture of G{alpha}o and the structural basis for RGS16-mediated deactivation.
Proc.Natl.Acad.Sci.Usa, 105, 2008
8CQI
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BU of 8cqi by Molmil
Human heparanase in complex with inhibitor R3794
分子名称: (3~{S},4~{S})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, 1,5-anhydro-D-arabinitol, ...
著者Moran, E.M, Davies, G.J, Chen, C, Nieuwendijk, E.V, Wu, L, Skoulikopoulou, F, Riet, V.V, Overkleeft, H.S, Armstrong, Z.
登録日2023-03-06
公開日2024-01-10
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
1HEV
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HEVEIN: THE NMR ASSIGNMENT AND AN ASSESSMENT OF SOLUTION-STATE FOLDING FOR THE AGGLUTININ-TOXIN MOTIF
分子名称: HEVEIN
著者Andersen, N.H, Cao, B.
登録日1993-01-14
公開日1994-01-31
最終更新日2024-10-30
実験手法SOLUTION NMR
主引用文献Hevein: NMR assignment and assessment of solution-state folding for the agglutinin-toxin motif.
Biochemistry, 32, 1993
1H65
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BU of 1h65 by Molmil
Crystal structure of pea Toc34 - a novel GTPase of the chloroplast protein translocon
分子名称: CHLOROPLAST OUTER ENVELOPE PROTEIN OEP34, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Sun, Y.J, Forouhar, F, Li, H.M, Tu, S.L, Kao, S, Shr, H.L, Chou, C.C, Hsiao, C.D.
登録日2001-06-06
公開日2002-01-29
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Pea Toc34 - a Novel Gtpase of the Chloroplast Protein Translocon
Nat.Struct.Biol., 9, 2002
6XAE
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SUBSTITUTED BENZYLOXYTRICYCLIC COMPOUNDS AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA T AGONISTS
分子名称: Nuclear receptor ROR-gamma, trans-4-{(3aR,9bR)-7-[(2-chloro-6-fluorophenyl)methoxy]-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl}cyclohexane-1-carboxylic acid
著者Sack, J.S.
登録日2020-06-04
公開日2020-06-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.257 Å)
主引用文献Substituted benzyloxytricyclic compounds as retinoic acid-related orphan receptor gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 30, 2020

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