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4I51
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Methyltransferase domain of HUMAN EUCHROMATIC HISTONE METHYLTRANSFERASE 1, mutant Y1211A
分子名称: GLYCEROL, H3K9 NE-ALLYL PEPTIDE, Histone-lysine N-methyltransferase EHMT1, ...
著者Dong, A, Zeng, H, Walker, J.R, Islam, K, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Lou, M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
登録日2012-11-28
公開日2012-12-19
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Defining efficient enzyme-cofactor pairs for bioorthogonal profiling of protein methylation.
Proc.Natl.Acad.Sci.USA, 110, 2013
4I5P
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Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain
分子名称: (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1H-pyrrol-2-yl)-7,8-dihydropteridin-6(5H)-one, Serine/threonine-protein kinase PLK2
著者Aubele, D.L, Hom, R.K, Adler, M, Galemmo Jr, R.A, Bowers, S, Truong, A.P, Pan, H, Beroza, P.
登録日2012-11-28
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.738 Å)
主引用文献Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain.
Chemmedchem, 8, 2013
4KRC
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BU of 4krc by Molmil
Crystal Structure of Pho85-Pcl10-ATP-gamma-S Complex
分子名称: Cyclin-dependent protein kinase PHO85, MAGNESIUM ION, PHO85 cyclin-10, ...
著者Quiocho, F.A, Zheng, F.
登録日2013-05-16
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.597 Å)
主引用文献New Structural Insights into Phosphorylation-free Mechanism for Full Cyclin-dependent Kinase (CDK)-Cyclin Activity and Substrate Recognition.
J.Biol.Chem., 288, 2013
4K99
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Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -pppdG(2 ,5 )pdG
分子名称: 3'-DEOXY-GUANOSINE-5'-TRIPHOSPHATE, 3'-deoxy-guanosine 5'-monophosphate, Cyclic GMP-AMP synthase, ...
著者Gao, P, Wu, Y, Patel, D.J.
登録日2013-04-19
公開日2013-05-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Cyclic [G(2',5')pA(3',5')p] is the metazoan second messenger produced by DNA-activated cyclic GMP-AMP synthase.
Cell(Cambridge,Mass.), 153, 2013
4MC0
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Hedycaryol apo
分子名称: Putative sesquiterpene cyclase
著者Baer, P, Rabe, P, Cirton, C, Oliveira Mann, C, Kaufmann, N, Groll, M, Dickschat, J.
登録日2013-08-21
公開日2014-01-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Hedycaryol synthase in complex with nerolidol reveals terpene cyclase mechanism.
Chembiochem, 15, 2014
4P6F
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BU of 4p6f by Molmil
Crystal structure of the peptolide 12C bound to bacterial ribosome
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Fagan, C.E, Dunham, C.M.
登録日2014-03-24
公開日2014-10-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Macrolide-Peptide Conjugates as Probes of the Path of Travel of the Nascent Peptides through the Ribosome.
Acs Chem.Biol., 9, 2014
4L02
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Crystal Structure of SphK1 with inhibitor
分子名称: (2R,4S)-1-[2-(4-{[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino}phenyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol, Sphingosine kinase 1
著者Min, X, Walker, N, Wang, Z.
登録日2013-05-30
公開日2013-07-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure guided design of a series of sphingosine kinase (SphK) inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4PFC
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Crystal structure of insulin degrading enzyme complexed with inhibitor
分子名称: Insulin-degrading enzyme, ZINC ION, methyl [(2S)-2-(5-{5-[4-({(2S)-2-[(3S)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}-2-fluorophenyl)-3-(quinolin-3-yl)propyl]carbamate
著者Wang, Y, Guo, S.
登録日2014-04-28
公開日2015-06-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Dual Exosite-binding Inhibitors of Insulin-degrading Enzyme Challenge Its Role as the Primary Mediator of Insulin Clearance in Vivo.
J.Biol.Chem., 290, 2015
4L27
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BU of 4l27 by Molmil
Crystal structure of delta1-39 and delta516-525 human cystathionine beta-synthase D444N mutant containing C-terminal 6xHis tag
分子名称: Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE, PYRIDOXAL-5'-PHOSPHATE
著者Ereno, J, Majtan, T, Oyenarte, I, Kraus, J.P, Martinez, L.A.
登録日2013-06-04
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.391 Å)
主引用文献Structural basis of regulation and oligomerization of human cystathionine beta-synthase, the central enzyme of transsulfuration.
Proc.Natl.Acad.Sci.USA, 110, 2013
4L3V
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Crystal structure of delta516-525 human cystathionine beta-synthase
分子名称: Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE, PYRIDOXAL-5'-PHOSPHATE
著者Ereno, J, Majtan, T, Oyenarte, I, Kraus, J.P, Martinez, L.A.
登録日2013-06-07
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.628 Å)
主引用文献Structural basis of regulation and oligomerization of human cystathionine beta-synthase, the central enzyme of transsulfuration.
Proc.Natl.Acad.Sci.USA, 110, 2013
4L7V
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Crystal structure of Protein L-isoaspartyl-O-methyltransferase of Vibrio cholerae
分子名称: ACETATE ION, CALCIUM ION, Protein-L-isoaspartate O-methyltransferase, ...
著者Chatterjee, T, Mukherjee, D, Chakrabarti, P.
登録日2013-06-14
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure and activity of protein L-isoaspartyl-O-methyltransferase from Vibrio cholerae, and the effect of AdoHcy binding.
Arch.Biochem.Biophys., 583, 2015
4L28
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BU of 4l28 by Molmil
Crystal structure of delta516-525 human cystathionine beta-synthase D444N mutant containing C-terminal 6xHis tag
分子名称: Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE, PYRIDOXAL-5'-PHOSPHATE
著者Ereno, J, Majtan, T, Oyenarte, I, Kraus, J.P, Martinez, L.A.
登録日2013-06-04
公開日2013-09-18
最終更新日2013-10-16
実験手法X-RAY DIFFRACTION (2.626 Å)
主引用文献Structural basis of regulation and oligomerization of human cystathionine beta-synthase, the central enzyme of transsulfuration.
Proc.Natl.Acad.Sci.USA, 110, 2013
3MOY
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BU of 3moy by Molmil
Crystal structure of probable enoyl-CoA hydratase from Mycobacterium smegmatis
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-04-23
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
2M8J
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BU of 2m8j by Molmil
Structure of Pin1 WW domain phospho-mimic S16E
分子名称: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Luh, L.M, Kirchner, D.K, Loehr, F, Haensel, R, Doetsch, V.
登録日2013-05-22
公開日2014-04-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Molecular crowding drives active Pin1 into nonspecific complexes with endogenous proteins prior to substrate recognition.
J.Am.Chem.Soc., 135, 2013
5DU6
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BU of 5du6 by Molmil
Crystal structure of M. tuberculosis EchA6 bound to ligand GSK059A.
分子名称: (5R,7R)-5-(4-ethylphenyl)-N-(4-fluorobenzyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, Probable enoyl-CoA hydratase echA6
著者Cox, J.A.G, Besra, G.S, Futterer, K.
登録日2015-09-18
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.
Nat Microbiol, 1, 2016
2M0X
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BU of 2m0x by Molmil
Solution structure of U14Ub1, an engineered ubiquitin variant with increased affinity for USP14
分子名称: engineered ubiquitin variant
著者Phillips, A.H, Fairbrother, W.J, Corn, J.E.
登録日2012-11-08
公開日2013-06-26
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Conformational dynamics control ubiquitin-deubiquitinase interactions and influence in vivo signaling.
Proc.Natl.Acad.Sci.USA, 110, 2013
4X4N
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BU of 4x4n by Molmil
Crystal structure of the A.fulgidus CCA-adding enzyme in complex with a G70A arginyl-tRNA minihelix
分子名称: CCA-adding enzyme, G70A tRNA minihelix, GLYCEROL, ...
著者Kuhn, C.-D, Joshua-Tor, L.
登録日2014-12-03
公開日2015-02-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.953 Å)
主引用文献On-Enzyme Refolding Permits Small RNA and tRNA Surveillance by the CCA-Adding Enzyme.
Cell, 160, 2015
4X4W
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Crystal structure of the full-length human mitochondrial CCA-adding enzyme
分子名称: CCA tRNA nucleotidyltransferase 1, mitochondrial, CHLORIDE ION, ...
著者Kuhn, C.-D, Joshua-Tor, L.
登録日2014-12-03
公開日2015-02-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献On-Enzyme Refolding Permits Small RNA and tRNA Surveillance by the CCA-Adding Enzyme.
Cell, 160, 2015
3MDF
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BU of 3mdf by Molmil
Crystal structure of the RRM domain of Cyclophilin 33
分子名称: Peptidyl-prolyl cis-trans isomerase E
著者Hom, R.A, Chang, P.Y, Roy, S, Mussleman, C.A, Glass, K.C, Seleznevia, A.I, Gozani, O, Ismagilov, R.F, Cleary, M.L, Kutateladze, T.G.
登録日2010-03-30
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Molecular mechanism of MLL PHD3 and RNA recognition by the Cyp33 RRM domain.
J.Mol.Biol., 400, 2010
4XDP
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BU of 4xdp by Molmil
Crystal structure of human KDM4C catalytic domain bound to tris
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Swinger, K.K, Boriack-Sjodin, P.A.
登録日2014-12-19
公開日2015-03-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献A High-Throughput Mass Spectrometry Assay Coupled with Redox Activity Testing Reduces Artifacts and False Positives in Lysine Demethylase Screening.
J Biomol Screen, 20, 2015
4D7Q
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Crystal structure of a chimeric protein with the Sec7 domain of Legionella pneumophila RalF and the capping domain of Rickettsia prowazekii RalF
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Folly-Klan, M, Sancerne, B, Alix, E, Roy, C.R, Cherfils, J, Campanacci, V.
登録日2014-11-27
公開日2015-01-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献On the Use of Legionella/Rickettsia Chimeras to Investigate the Structure and Regulation of Rickettsia Effector Ralf.
J.Struct.Biol., 189, 2015
3EE0
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BU of 3ee0 by Molmil
Crystal Structure of the W215A/E217A Mutant of Human Thrombin (space group P2(1)2(1)2(1))
分子名称: Thrombin heavy chain, Thrombin light chain
著者Gandhi, P.S, Page, M.J, Chen, Z, Bush-Pelc, L, Di Cera, E.
登録日2008-09-03
公開日2009-07-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Molecular Basis for the Kinetic Differences of the W215A/E217A Mutant of Human and Murine Thrombin
To be Published
5ERN
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BU of 5ern by Molmil
Crystal structure of elongation domain of Phomopsis amygdali fusicoccadiene synthase
分子名称: Fusicoccadiene synthase
著者Chen, M, Christianson, D.W.
登録日2015-11-14
公開日2016-01-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.434 Å)
主引用文献Structure and Function of Fusicoccadiene Synthase, a Hexameric Bifunctional Diterpene Synthase.
Acs Chem.Biol., 11, 2016
4DZ0
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Crystal structure of the Cu-adduct of human H-Ferritin variant MIC1 labeled with a dansyl fluorophore
分子名称: 5-(1-SULFONAPHTHYL)-ACETYLAMINO-ETHYLAMINE, CALCIUM ION, COPPER (II) ION, ...
著者Tezcan, F.A, Huard, D.J.E.
登録日2012-02-29
公開日2013-01-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Re-engineering protein interfaces yields copper-inducible ferritin cage assembly.
Nat.Chem.Biol., 9, 2013
5EOY
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Pseudomonas aeruginosa SeMet-PilM bound to ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Type 4 fimbrial biogenesis protein PilM
著者McCallum, M, Tammam, S, Robinson, H, Shah, M, Calmettes, C, Moraes, T, Burrows, L.L, Howell, P.L.
登録日2015-11-10
公開日2016-04-27
最終更新日2016-06-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献PilN Binding Modulates the Structure and Binding Partners of the Pseudomonas aeruginosa Type IVa Pilus Protein PilM.
J.Biol.Chem., 291, 2016

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