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3B6O
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Structure of TREX1 in complex with a nucleotide and an inhibitor ion (lithium)
分子名称: LITHIUM ION, THYMIDINE-5'-PHOSPHATE, Three prime repair exonuclease 1
著者Brucet, M, Querol-Audi, J, Fita, I, Celada, A.
登録日2007-10-29
公開日2008-09-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and biochemical studies of TREX1 inhibition by metals. Identification of a new active histidine conserved in DEDDh exonucleases.
Protein Sci., 17, 2008
4CJT
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BU of 4cjt by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
分子名称: 1,2-benzoxazol-3-amine, ACETATE ION, GLYCEROL, ...
著者Peat, T.S.
登録日2013-12-23
公開日2014-01-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
6CXS
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BU of 6cxs by Molmil
Crystal Structure of Clostridium perfringens beta-glucuronidase bound with a novel, potent inhibitor 4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine
分子名称: 4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine, Beta-glucuronidase, Maltose/maltodextrin-binding periplasmic protein
著者Wallace, B.D, Redinbo, M.R.
登録日2018-04-04
公開日2019-04-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Targeted inhibition of gut bacterial beta-glucuronidase activity enhances anticancer drug efficacy.
Proc.Natl.Acad.Sci.USA, 2020
6CYO
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BU of 6cyo by Molmil
Crystal structure of human UBE2A (RAD6A)
分子名称: Ubiquitin-conjugating enzyme E2 A
著者Ranzani, A.T, de Oliveira, J.F.
登録日2018-04-06
公開日2018-12-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mechanistic insights revealed by a UBE2A mutation linked to intellectual disability.
Nat. Chem. Biol., 15, 2019
6D65
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Crystal structure of the human dual specificity phosphatase 1 catalytic domain (C258S) as a maltose binding protein fusion in complex with the designed AR protein off7
分子名称: Designed AR protein off7, ETHANOL, GLYCEROL, ...
著者Gumpena, R, Lountos, G.T, Waugh, D.S.
登録日2018-04-20
公開日2018-09-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.348 Å)
主引用文献MBP-binding DARPins facilitate the crystallization of an MBP fusion protein.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6ND0
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BU of 6nd0 by Molmil
human BK channel reconstituted into liposomes
分子名称: Calcium-activated potassium channel subunit alpha-1
著者Wang, L, Tonggu, L.
登録日2018-12-13
公開日2020-06-17
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Broken symmetry in the human BK channel
To Be Published
3B6P
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BU of 3b6p by Molmil
Structure of TREX1 in complex with a nucleotide and inhibitor ions (sodium and zinc)
分子名称: SODIUM ION, THYMIDINE-5'-PHOSPHATE, Three prime repair exonuclease 1, ...
著者Brucet, M, Querol-Audi, J, Fita, I, Celada, A.
登録日2007-10-29
公開日2008-09-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and biochemical studies of TREX1 inhibition by metals. Identification of a new active histidine conserved in DEDDh exonucleases.
Protein Sci., 17, 2008
6NF9
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BU of 6nf9 by Molmil
Structure of M. spretus Endogenous Virus Element (EVE) Virus-like particle (VLP)
分子名称: Mus Spretus Endogenous Viral Element
著者Callaway, H.M, Subramanian, S.
登録日2018-12-19
公開日2019-01-23
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.89 Å)
主引用文献Examination and Reconstruction of Three Ancient Endogenous Parvovirus Capsid Protein Gene Remnants Found in Rodent Genomes.
J. Virol., 93, 2019
6DC6
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BU of 6dc6 by Molmil
Crystal structure of human ubiquitin activating enzyme E1 (Uba1) in complex with ubiquitin
分子名称: MAGNESIUM ION, PYROPHOSPHATE 2-, Ubiquitin, ...
著者Lv, Z, Yuan, L, Williams, K.M, Atkison, J.H, Olsen, S.K.
登録日2018-05-04
公開日2018-10-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Crystal structure of a human ubiquitin E1-ubiquitin complex reveals conserved functional elements essential for activity.
J. Biol. Chem., 293, 2018
8F93
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BU of 8f93 by Molmil
WDR5 covalently modified at Y228 by (R)-2-SF
分子名称: 3-ethynyl-5-{[(3R)-4-{1-[(2-methoxyphenyl)methyl]-1H-benzimidazole-5-carbonyl}-3-methylpiperazin-1-yl]methyl}benzene-1-sulfonyl fluoride, CHLORIDE ION, GLYCEROL, ...
著者Taunton, J, Craven, G.B, Chen, Y.
登録日2022-11-23
公開日2023-05-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Direct mapping of ligandable tyrosines and lysines in cells with chiral sulfonyl fluoride probes.
Nat.Chem., 15, 2023
1I1N
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BU of 1i1n by Molmil
HUMAN PROTEIN L-ISOASPARTATE O-METHYLTRANSFERASE WITH S-ADENOSYL HOMOCYSTEINE
分子名称: PROTEIN-L-ISOASPARTATE O-METHYLTRANSFERASE, S-ADENOSYL-L-HOMOCYSTEINE
著者Smith, C.D, Chattopadhyay, D, Carson, M, Friedman, A.M, Skinner, M.M.
登録日2001-02-02
公開日2002-03-13
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of human L-isoaspartyl-O-methyl-transferase with S-adenosyl homocysteine at 1.6-A resolution and modeling of an isoaspartyl-containing peptide at the active site.
Protein Sci., 11, 2002
1I6U
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BU of 1i6u by Molmil
RNA-PROTEIN INTERACTIONS: THE CRYSTAL STRUCTURE OF RIBOSOMAL PROTEIN S8/RRNA COMPLEX FROM METHANOCOCCUS JANNASCHII
分子名称: 16S RRNA FRAGMENT, 30S RIBOSOMAL PROTEIN S8P, SULFATE ION
著者Tishchenko, S, Nikulin, A, Fomenkova, N, Nevskaya, N, Nikonov, O, Dumas, P, Moine, H, Ehresmann, B, Ehresmann, C, Piendl, W, Lamzin, V, Garber, M, Nikonov, S.
登録日2001-03-05
公開日2001-08-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Detailed analysis of RNA-protein interactions within the ribosomal protein S8-rRNA complex from the archaeon Methanococcus jannaschii.
J.Mol.Biol., 311, 2001
6NKL
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BU of 6nkl by Molmil
2.2 A resolution structure of VapBC-1 from nontypeable Haemophilus influenzae
分子名称: Antitoxin VapB1, Ribonuclease VapC
著者Lovell, S, Kashipathy, M.M, Battaile, K.P, Molinaro, A.L, Daines, D.A.
登録日2019-01-07
公開日2019-04-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of VapBC-1 from Nontypeable Haemophilus influenzae and the Effect of PIN Domain Mutations on Survival during Infection.
J.Bacteriol., 201, 2019
6NT7
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BU of 6nt7 by Molmil
Cryo-EM structure of full-length chicken STING in the cGAMP-bound dimeric state
分子名称: Stimulator of interferon genes protein, cGAMP
著者Shang, G, Zhang, C, Chen, Z.J, Bai, X, Zhang, X.
登録日2019-01-28
公開日2019-03-06
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Cryo-EM structures of STING reveal its mechanism of activation by cyclic GMP-AMP.
Nature, 567, 2019
6NUI
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BU of 6nui by Molmil
Human Guanylate Kinase
分子名称: Guanylate kinase
著者Sabo, T.M, Khan, N, Ban, D, Trigo-Mourino, P, Carneiro, M.G, Trent, J.O, Konrad, M, Lee, D.
登録日2019-02-01
公開日2019-06-26
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure and functional investigation of human guanylate kinase reveals allosteric networking and a crucial role for the enzyme in cancer.
J.Biol.Chem., 294, 2019
6NHJ
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BU of 6nhj by Molmil
Atomic structures and deletion mutant reveal different capsid-binding patterns and functional significance of tegument protein pp150 in murine and human cytomegaloviruses with implications for therapeutic development
分子名称: Major capsid protein, Minor capsid protein, Small capsomere-interacting protein, ...
著者Liu, W, Dai, X.H, Jih, J, Chan, K, Trang, P, Yu, X.K, Balogun, R, Mei, Y, Liu, F.Y, Zhou, Z.H.
登録日2018-12-22
公開日2019-03-06
最終更新日2019-11-27
実験手法ELECTRON MICROSCOPY (5 Å)
主引用文献Atomic structures and deletion mutant reveal different capsid-binding patterns and functional significance of tegument protein pp150 in murine and human cytomegaloviruses with implications for therapeutic development.
PLoS Pathog., 15, 2019
6DBY
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BU of 6dby by Molmil
Crystal structure of Nudix 1 from Arabidopsis thaliana
分子名称: MAGNESIUM ION, Nudix hydrolase 1
著者Noel, J.P, Thomas, S.T, Dudareva, N, Henry, L.K.
登録日2018-05-03
公開日2018-09-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Contribution of isopentenyl phosphate to plant terpenoid metabolism.
Nat Plants, 4, 2018
6NML
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BU of 6nml by Molmil
Ternary structure of the T130K mutant of ANT-4'' with Neomycin and AMPCPP
分子名称: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Kanamycin nucleotidyltransferase, MAGNESIUM ION, ...
著者Cuneo, M.J, Selvaraj, B.
登録日2019-01-11
公開日2020-01-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献'Catch and Release": a Variation of the Archetypal Nucleotidyl Transfer Reaction
Acs Catalysis, 2020
3L0L
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BU of 3l0l by Molmil
Crystal structure of orphan nuclear receptor RORgamma in complex with natural ligand
分子名称: 25-HYDROXYCHOLESTEROL, Nuclear receptor ROR-gamma, SCR2-2
著者Martynowski, D, Li, Y.
登録日2009-12-10
公開日2010-03-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural basis for hydroxycholesterols as natural ligands of orphan nuclear receptor RORgamma.
Mol.Endocrinol., 24, 2010
4CIO
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BU of 4cio by Molmil
RRM domain from C. elegans SUP-12 bound to GGUGUGC RNA
分子名称: 5'-R(*GP*GP*UP*GP*UP*GP*CP)-3', PROTEIN SUP-12, ISOFORM A
著者Amrane, S, Mackereth, C.D.
登録日2013-12-12
公開日2014-09-03
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Backbone-Independent Nucleic Acid Binding by Splicing Factor Sup-12 Reveals Key Aspects of Molecular Recognition
Nat.Commun., 5, 2014
4DAT
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BU of 4dat by Molmil
Structure of 14-3-3 sigma in complex with PADI6 14-3-3 binding motif II
分子名称: 14-3-3 protein sigma, MAGNESIUM ION, Peptidylarginine Deiminase type VI
著者Rose, R, Rose, M, Ottmann, C.
登録日2012-01-13
公開日2012-06-13
最終更新日2012-10-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Identification and structural characterization of two 14-3-3 binding sites in the human peptidylarginine deiminase type VI.
J.Struct.Biol., 180, 2012
3OLF
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BU of 3olf 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-methylbenzoic acid
分子名称: 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-methylbenzoic acid, Bile acid receptor, peptide of Nuclear receptor coactivator 1
著者Rudolph, M.G.
登録日2010-08-26
公開日2011-01-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
6DM8
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BU of 6dm8 by Molmil
Understanding the Species Selectivity of Myeloid cell leukemia-1 (Mcl-1) inhibitors
分子名称: 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog - MBP chimera, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Zhao, B.
登録日2018-06-04
公開日2018-08-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Understanding the Species Selectivity of Myeloid Cell Leukemia-1 (Mcl-1) Inhibitors.
Biochemistry, 57, 2018
4DBR
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BU of 4dbr by Molmil
Myosin VI D179Y (MD) pre-powerstroke state
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Pylypenko, O, Sweeney, H.L, Houdusse, A.
登録日2012-01-16
公開日2013-01-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mutations in myosin VI that cause a loss of coordination between heads provide insights into the structural changes underlying force generation and the importance of gating
To be Published
6O2D
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Schizosaccharomyces pombe Cnp3 Cupin Domain
分子名称: Inner kinetochore subunit cnp3
著者Chik, J.K, Cho, U.S.
登録日2019-02-22
公開日2019-08-21
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Structures of CENP-C cupin domains at regional centromeres reveal unique patterns of dimerization and recruitment functions for the inner pocket.
J.Biol.Chem., 294, 2019

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