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PDB: 233 件
4X7N
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Co-crystal Structure of PERK bound to 4-[2-amino-4-methyl-3-(2-methylquinolin-6-yl)benzoyl]-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one inhibitor
分子名称: 4-[2-amino-4-methyl-3-(2-methylquinolin-6-yl)benzoyl]-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, L(+)-TARTARIC ACID
著者Shaffer, P.L, Long, A.M, Chen, H.
登録日2014-12-09
公開日2015-01-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
4X7K
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Co-crystal Structure of PERK bound to 4-{2-amino-3-[5-fluoro-2-(methylamino)quinazolin-6-yl]-4-methylbenzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one inhibitor
分子名称: 4-{2-amino-3-[5-fluoro-2-(methylamino)quinazolin-6-yl]-4-methylbenzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, GLYCEROL, ...
著者Shaffer, P.L, Long, A.M, Chen, H.
登録日2014-12-09
公開日2015-01-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
4RVM
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BU of 4rvm by Molmil
CHK1 kinase domain with diazacarbazole compound 19
分子名称: 3-[4-(piperidin-1-ylmethyl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile, Serine/threonine-protein kinase Chk1
著者Gazzard, L, Blackwood, E, Burton, B, Chapman, K, Chen, H, Crackett, P, Drobnick, J, Ellwood, C, Epler, J, Flagella, M, Goodacre, S, Halladay, J, Hunt, H, Kintz, S, Lyssikatos, J, MacLeod, C, Ramiscal, S, Schmidt, S, Seward, E, Wiesmann, C, Williams, K, Wu, P, Yee, S, Yen, I, Malek, S.
登録日2014-11-26
公開日2015-06-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1.
J.Med.Chem., 58, 2015
4R05
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BU of 4r05 by Molmil
Crystal structure of the refolded DENV3 methyltransferase
分子名称: Nonstructural protein NS5
著者Brecher, M.B, Li, Z, Zhang, J, Chen, H, Lin, Q, Liu, B, Li, H.M.
登録日2014-07-29
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Refolding of a fully functional flavivirus methyltransferase revealed that S-adenosyl methionine but not S-adenosyl homocysteine is copurified with flavivirus methyltransferase.
Protein Sci., 24, 2015
5CUQ
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BU of 5cuq by Molmil
Identification and characterization of novel broad spectrum inhibitors of the flavivirus methyltransferase
分子名称: N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA, Nonstructural protein NS5
著者Brecher, B, Chen, H, Li, Z, Banavali, N.K, Jones, S.A, Zhang, J, Kramer, L.D, Li, H.M.
登録日2015-07-24
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.696 Å)
主引用文献Identification and Characterization of Novel Broad-Spectrum Inhibitors of the Flavivirus Methyltransferase.
Acs Infect Dis., 1, 2015
8YLE
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BU of 8yle by Molmil
Crystal structure of Werner syndrome helicase complexed with AMP-PCP
分子名称: 1,2-ETHANEDIOL, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
著者Yang, Y, Fu, L, Sun, X, Cheng, H, Chen, R.
登録日2024-03-06
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structure of werner syndrome helicase complexed with AMP-PCP at 1.86 Angstroms resolution.
To Be Published
1JFI
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Crystal Structure of the NC2-TBP-DNA Ternary Complex
分子名称: 5'-D(*G*GP*AP*GP*CP*CP*CP*TP*TP*TP*TP*AP*TP*AP*GP*CP*CP*AP*A)-3', 5'-D(*TP*TP*GP*GP*CP*TP*AP*TP*AP*AP*AP*AP*GP*GP*GP*CP*TP*CP*C)-3', TATA-BOX-BINDING PROTEIN (TBP), ...
著者Kamada, K, Shu, F, Chen, H, Malik, S, Stelzer, G, Roeder, R.G, Meisterernst, M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2001-06-20
公開日2001-07-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Crystal structure of negative cofactor 2 recognizing the TBP-DNA transcription complex.
Cell(Cambridge,Mass.), 106, 2001
6UZ8
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Cryo-EM structure of human TRPC6 in complex with agonist AM-0883
分子名称: (5-chloro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]methanone, 2-[[(2~{S})-2-decanoyloxy-3-dodecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium, CHOLESTEROL HEMISUCCINATE, ...
著者Bai, Y, Yu, X, Huang, X, Chen, H.
登録日2019-11-14
公開日2020-03-18
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Structural basis for pharmacological modulation of the TRPC6 channel.
Elife, 9, 2020
6UZA
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Cryo-EM structure of human TRPC6 in complex with antagonist AM-1473
分子名称: 2-[[(2~{S})-2-decanoyloxypropoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium, 4-({(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl}oxy)benzonitrile, CHOLESTEROL HEMISUCCINATE, ...
著者Bai, Y, Yu, X, Huang, X, Chen, H.
登録日2019-11-14
公開日2020-03-18
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Structural basis for pharmacological modulation of the TRPC6 channel.
Elife, 9, 2020
6W36
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BU of 6w36 by Molmil
Crystal structure of FAM46C
分子名称: SULFATE ION, Terminal nucleotidyltransferase 5C
著者Shang, G.J, Zhang, X.W, Chen, H, Lu, D.F.
登録日2020-03-09
公開日2020-05-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.854 Å)
主引用文献Structural and Functional Analyses of the FAM46C/Plk4 Complex.
Structure, 28, 2020
1KBH
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BU of 1kbh by Molmil
Mutual Synergistic Folding in the Interaction Between Nuclear Receptor Coactivators CBP and ACTR
分子名称: CREB-BINDING PROTEIN, nuclear receptor coactivator
著者Demarest, S.J, Martinez-Yamout, M, Chung, J, Chen, H, Xu, W, Dyson, H.J, Evans, R.M, Wright, P.E.
登録日2001-11-06
公開日2002-02-06
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Mutual synergistic folding in recruitment of CBP/p300 by p160 nuclear receptor coactivators.
Nature, 415, 2002
1T3J
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BU of 1t3j by Molmil
Mitofusin domain HR2 V686M/I708M mutant
分子名称: mitofusin 1
著者Koshiba, T, Detmer, S.A, Kaiser, J.T, Chen, H, McCaffery, J.M, Chan, D.C.
登録日2004-04-26
公開日2004-08-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of mitochondrial tethering by mitofusin complexes
Science, 305, 2004
1VOL
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BU of 1vol by Molmil
TFIIB (HUMAN CORE DOMAIN)/TBP (A.THALIANA)/TATA ELEMENT TERNARY COMPLEX
分子名称: DNA (5'-D(*CP*AP*GP*CP*CP*CP*TP*TP*TP*TP*AP*TP*AP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*CP*TP*AP*TP*AP*AP*AP*AP*GP*GP*GP*CP*TP*G)-3'), PROTEIN (TATA BINDING PROTEIN (TBP)), ...
著者Nikolov, D.B, Chen, H, Halay, E.D, Usheva, A.U, Hisatake, K, Lee, D.K, Roeder, R.G, Burley, S.K.
登録日1996-04-29
公開日1996-11-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of a TFIIB-TBP-TATA-element ternary complex.
Nature, 377, 1995
2KI0
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BU of 2ki0 by Molmil
NMR Structure of a de novo designed beta alpha beta
分子名称: DS119
著者Liang, H, Chen, H, Fan, K, Wei, P, Guo, X, Jin, C, Zeng, C, Tang, C, Lai, L.
登録日2009-04-18
公開日2009-10-20
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献De novo design of a beta alpha beta motif.
Angew.Chem.Int.Ed.Engl., 48, 2009
4RZF
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BU of 4rzf by Molmil
Crystal Structure Analysis of the NUR77 Ligand Binding Domain, S441W mutant
分子名称: GLYCEROL, Nuclear receptor subfamily 4 group A member 1
著者Li, F, Tian, X, Li, A, Li, L, Liu, Y, Chen, H, Wu, Q, Lin, T.
登録日2014-12-21
公開日2015-03-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation.
Nat.Chem.Biol., 11, 2015
4RZG
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BU of 4rzg by Molmil
Crystal Structure Analysis of the DNPA-bounded NUR77 Ligand binding Domain
分子名称: GLYCEROL, Nuclear receptor subfamily 4 group A member 1, pentyl (3,5-dihydroxy-2-nonanoylphenyl)acetate
著者Li, F, Tian, X, Li, A, Li, L, Liu, Y, Chen, H, Wu, Q, Lin, T.
登録日2014-12-21
公開日2015-03-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation.
Nat.Chem.Biol., 11, 2015
4MXM
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Crystal structure of superantigen pfit
分子名称: Transcriptional regulator I2
著者Liu, L.H, Chen, H, Li, H.M.
登録日2013-09-26
公開日2014-09-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Pfit is a structurally novel Crohn's disease-associated superantigen.
Plos Pathog., 9, 2013
4MO7
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BU of 4mo7 by Molmil
Crystal structure of superantigen PfiT
分子名称: BETA-MERCAPTOETHANOL, MAGNESIUM ION, Transcriptional regulator I2
著者Liu, L.H, Chen, H, Li, H.M.
登録日2013-09-11
公開日2014-02-05
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Pfit is a structurally novel Crohn's disease-associated superantigen.
Plos Pathog., 9, 2013
1CDW
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BU of 1cdw by Molmil
HUMAN TBP CORE DOMAIN COMPLEXED WITH DNA
分子名称: DNA (5'-D(*CP*AP*GP*CP*CP*TP*TP*TP*TP*AP*TP*AP*GP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*CP*TP*AP*TP*AP*AP*AP*AP*GP*GP*CP*TP*G)-3'), PROTEIN (TATA BINDING PROTEIN (TBP))
著者Nikolov, D.B, Chen, H, Halay, E.D, Hoffmann, A, Roeder, R.G, Burley, S.K.
登録日1996-04-11
公開日1996-12-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of a human TATA box-binding protein/TATA element complex.
Proc.Natl.Acad.Sci.USA, 93, 1996
2CH5
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Crystal structure of human N-acetylglucosamine kinase in complex with N-acetylglucosamine
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Weihofen, W.A, Berger, M, Chen, H, Saenger, W, Hinderlich, S.
登録日2006-03-13
公開日2006-09-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of Human N-Acetylglucosamine Kinase in Two Complexes with N-Acetylglucosamine and with Adp/Glucose: Insights Into Substrate Specificity and Regulation.
J.Mol.Biol., 364, 2006
2CH6
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Crystal structure of human N-acetylglucosamine kinase in complex with ADP and glucose
分子名称: ADENOSINE-5'-DIPHOSPHATE, N-ACETYL-D-GLUCOSAMINE KINASE, alpha-D-glucopyranose
著者Weihofen, W.A, Berger, M, Chen, H, Saenger, W, Hinderlich, S.
登録日2006-03-13
公開日2006-09-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Structures of Human N-Acetylglucosamine Kinase in Two Complexes with N-Acetylglucosamine and with Adp/Glucose: Insights Into Substrate Specificity and Regulation.
J.Mol.Biol., 364, 2006
1DP7
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COCRYSTAL STRUCTURE OF RFX-DBD IN COMPLEX WITH ITS COGNATE X-BOX BINDING SITE
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*CP*GP*(BRU)P*TP*AP*CP*CP*AP*(BRU)P*GP*GP*TP*AP*AP*CP*G)-3'), ...
著者Gajiwala, K.S, Chen, H, Cornille, F, Roques, B.P, Reith, W, Mach, B, Burley, S.K.
登録日1999-12-23
公開日2000-03-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of the winged-helix protein hRFX1 reveals a new mode of DNA binding.
Nature, 403, 2000
1DT4
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CRYSTAL STRUCTURE OF NOVA-1 KH3 K-HOMOLOGY RNA-BINDING DOMAIN
分子名称: NEURO-ONCOLOGICAL VENTRAL ANTIGEN 1
著者Lewis, H.A, Chen, H, Edo, C, Buckanovich, R.J, Yang, Y.Y.L.
登録日2000-01-11
公開日2000-02-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structures of Nova-1 and Nova-2 K-homology RNA-binding domains.
Structure Fold.Des., 7, 1999
1DTJ
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CRYSTAL STRUCTURE OF NOVA-2 KH3 K-HOMOLOGY RNA-BINDING DOMAIN
分子名称: RNA-BINDING NEUROONCOLOGICAL VENTRAL ANTIGEN 2
著者Lewis, H.A, Chen, H, Edo, C, Buckanovich, R.J, Yang, Y.Y.L, Musunuru, K, Zhong, R, Darnell, R.B, Burley, S.K.
登録日2000-01-12
公開日2000-02-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of Nova-1 and Nova-2 K-homology RNA-binding domains.
Structure Fold.Des., 7, 1999
5AD3
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Bivalent binding to BET bromodomains
分子名称: 3-methoxy-N-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidyl]phenoxy]ethyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine, BROMODOMAIN-CONTAINING PROTEIN 4
著者Waring, M.J, Chen, H, Rabow, A.A, Walker, G, Bobby, R, Boiko, S, Bradbury, R.H, Callis, R, Dale, I, Daniels, D, Flavell, L, Holdgate, G, Jowitt, T.A, Kikhney, A, McAlister, M, Ogg, D, Patel, J, Petteruti, P, Robb, G.R, Robers, M, Stratton, N, Svergun, D.I, Wang, W, Whittaker, D.
登録日2015-08-19
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Potent and Selective Bivalent Inhibitors of Bet Bromodomains
Nat.Chem.Biol., 12, 2016

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