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3JZ1
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BU of 3jz1 by Molmil
Crystal structure of human thrombin mutant N143P in E:Na+ form
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, NITRATE ION, ...
著者Niu, W, Chen, Z, Bush-Pelc, L.A, Bah, A, Gandhi, P.S, Di Cera, E.
登録日2009-09-22
公開日2009-10-20
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Mutant N143P reveals how Na+ activates thrombin
J.Biol.Chem., 284, 2009
4TUD
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BU of 4tud by Molmil
Crystal structure of ASL-SufJ bound to Codon ACC-C on the Ribosome
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Fagan, C.E, Dunham, C.M.
登録日2014-06-24
公開日2015-05-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structural insights into translational recoding by frameshift suppressor tRNASufJ.
Rna, 20, 2014
3J27
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BU of 3j27 by Molmil
CryoEM structure of Dengue virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, ...
著者Zhang, X, Ge, P, Yu, X, Brannan, J.M, Bi, G, Zhang, Q, Schein, S, Zhou, Z.H.
登録日2012-09-26
公開日2012-12-19
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structure of the mature dengue virus at 3.5-A resolution.
Nat.Struct.Mol.Biol., 20, 2012
4TUB
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BU of 4tub by Molmil
Crystal structure of tRNA-Thr bound to Codon ACC-C on the Ribosome
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Fagan, C.E, Dunham, C.M.
登録日2014-06-24
公開日2015-05-13
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structural insights into translational recoding by frameshift suppressor tRNASufJ.
Rna, 20, 2014
3PA9
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BU of 3pa9 by Molmil
Mechanism of inactivation of E. coli aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-furancarboxylic acid (S-ADFA) pH 7.5
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-aminofuran-2-carboxylic acid, Aspartate aminotransferase, ...
著者Liu, D, Pozharski, E, Fu, M, Silverman, R.B, Ringe, D.
登録日2010-10-19
公開日2010-12-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mechanism of inactivation of Escherichia coli aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-furancarboxylic acid .
Biochemistry, 49, 2010
3JZ2
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BU of 3jz2 by Molmil
Crystal structure of human thrombin mutant N143P in E* form
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Thrombin heavy chain, ...
著者Niu, W, Chen, Z, Bush-Pelc, L.A, Bah, A, Gandhi, P.S, Di Cera, E.
登録日2009-09-22
公開日2009-10-20
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mutant N143P reveals how Na+ activates thrombin
J.Biol.Chem., 284, 2009
2UZD
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BU of 2uzd by Molmil
Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor
分子名称: 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2
著者Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E.
登録日2007-04-27
公開日2007-06-26
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping.
Bioorg.Med.Chem.Lett., 17, 2007
2UZB
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BU of 2uzb by Molmil
Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor
分子名称: 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-2-FURYL}-N-METHYLBENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2
著者Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E.
登録日2007-04-27
公開日2007-06-26
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping.
Bioorg.Med.Chem.Lett., 17, 2007
1TOJ
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BU of 1toj by Molmil
Hydrocinnamic acid-bound structure of SRHEPT mutant of E. coli aspartate aminotransferase
分子名称: Aspartate aminotransferase, HYDROCINNAMIC ACID
著者Chow, M.A, McElroy, K.E, Corbett, K.D, Berger, J.M, Kirsch, J.F.
登録日2004-06-14
公開日2004-10-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Narrowing substrate specificity in a directly evolved enzyme: the A293D mutant of aspartate aminotransferase
Biochemistry, 43, 2004
1TU0
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BU of 1tu0 by Molmil
Aspartate Transcarbamoylase Catalytic Chain Mutant E50A Complex with Phosphonoacetamide
分子名称: Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, PHOSPHONOACETAMIDE, ...
著者Stieglitz, K, Stec, B, Baker, D.P, Kantrowitz, E.R.
登録日2004-06-23
公開日2004-07-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Monitoring the Transition from the T to the R State in E.coli Aspartate Transcarbamoylase by X-ray Crystallography: Crystal Structures of the E50A Mutant Enzyme in Four Distinct Allosteric States.
J.Mol.Biol., 341, 2004
1TOI
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BU of 1toi by Molmil
Hydrocinnamic acid-bound structure of Hexamutant + A293D mutant of E. coli aspartate aminotransferase
分子名称: Aspartate aminotransferase, HYDROCINNAMIC ACID
著者Chow, M.A, McElroy, K.E, Corbett, K.D, Berger, J.M, Kirsch, J.F.
登録日2004-06-14
公開日2004-10-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Narrowing substrate specificity in a directly evolved enzyme: the A293D mutant of aspartate aminotransferase
Biochemistry, 43, 2004
1TTH
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BU of 1tth by Molmil
Aspartate Transcarbamoylase Catalytic Chain Mutant Glu50Ala Complexed with N-(Phosphonacetyl-L-Aspartate) (PALA)
分子名称: Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, N-(PHOSPHONACETYL)-L-ASPARTIC ACID, ...
著者Stieglitz, K, Stec, B, Baker, D.P, Kantrowitz, E.R.
登録日2004-06-22
公開日2004-07-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Monitoring the Transition from the T to the R State in E.coli Aspartate Transcarbamoylase by X-ray Crystallography: Crystal Structures of the E50A Mutant Enzyme in Four Distinct Allosteric States.
J.Mol.Biol., 341, 2004
4YZE
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BU of 4yze by Molmil
Crystal structure of E.coli NemR reduced form
分子名称: HTH-type transcriptional repressor NemR
著者Li, Y, Gray, M.J, Jakob, U, Xu, Z.
登録日2015-03-24
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Does the Transcription Factor NemR Use a Regulatory Sulfenamide Bond to Sense Bleach?
Antioxid.Redox Signal., 23, 2015
4QMZ
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BU of 4qmz by Molmil
MST3 IN COMPLEX WITH SUNITINIB
分子名称: CHLORIDE ION, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide, SERINE/THREONINE-PROTEIN KINASE 24
著者Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E.
登録日2014-06-16
公開日2015-07-01
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
6UW6
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BU of 6uw6 by Molmil
Cryo-EM structure of the human TRPV3 K169A mutant determined in lipid nanodisc
分子名称: Transient receptor potential cation channel subfamily V member 3, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
著者Deng, Z, Yuan, P.
登録日2019-11-04
公開日2020-07-01
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献Gating of human TRPV3 in a lipid bilayer.
Nat.Struct.Mol.Biol., 27, 2020
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2024-10-30
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
6UW4
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BU of 6uw4 by Molmil
Cryo-EM structure of human TRPV3 determined in lipid nanodisc
分子名称: SODIUM ION, Transient receptor potential cation channel subfamily V member 3, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
著者Deng, Z, Yuan, P.
登録日2019-11-04
公開日2020-07-01
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Gating of human TRPV3 in a lipid bilayer.
Nat.Struct.Mol.Biol., 27, 2020
7D3C
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BU of 7d3c by Molmil
The newly emerged SARS-like coronavirus HCoV-EMC also has an "Achilles' heel": current effective inhibitor targeting a 3C-like protease
分子名称: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
著者Yan, L, Ren, Z.
登録日2020-09-18
公開日2021-11-03
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The newly emerged SARS-like coronavirus HCoV-EMC also has an "Achilles' heel": current effective inhibitor targeting a 3C-like protease
Protein cell, 4, 2013
4RHD
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BU of 4rhd by Molmil
DNA Duplex with Novel ZP Base Pair
分子名称: DNA 9mer novel P nucleobase, DNA 9mer novel Z nucleobase, MAGNESIUM ION
著者Zhang, W, Zhang, L, Benner, S, Huang, Z.
登録日2014-10-01
公開日2015-07-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Evolution of functional six-nucleotide DNA.
J.Am.Chem.Soc., 137, 2015
3G0F
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BU of 3g0f by Molmil
KIT kinase domain mutant D816H in complex with sunitinib
分子名称: Mast/stem cell growth factor receptor, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide, SULFATE ION
著者Gajiwala, K.S, Wu, J.C, Lunney, E.A, Demetri, G.D.
登録日2009-01-27
公開日2009-02-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献KIT kinase mutants show unique mechanisms of drug resistance to imatinib and sunitinib in gastrointestinal stromal tumor patients.
Proc.Natl.Acad.Sci.USA, 106, 2009
4PIS
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BU of 4pis by Molmil
Crystal structure of human adenovirus 8 protease in complex with a nitrile inhibitor
分子名称: N~2~-[(2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetyl]-N-({2-[(Z)-iminomethyl]pyrimidin-4-yl}methyl)-L-isoleucinamide, PVI, Protease
著者Mac Sweeney, A, Grosche, P, Ellis, D, Combrink, K, Erbel, P, Hughes, N, Sirockin, F, Melkko, S, Bernardi, A, Ramage, P, Jarousse, N, Altmann, E.
登録日2014-05-09
公開日2014-09-10
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery and structure-based optimization of adenain inhibitors.
Acs Med.Chem.Lett., 5, 2014
6W98
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BU of 6w98 by Molmil
Single-Particle Cryo-EM Structure of Arabinofuranosyltransferase AftD from Mycobacteria
分子名称: 4'-PHOSPHOPANTETHEINE, Acyl carrier protein, CALCIUM ION, ...
著者Tan, Y.Z, Zhang, L, Rodrigues, J, Zheng, R.B, Giacometti, S.I, Rosario, A.L, Kloss, B, Dandey, V.P, Wei, H, Brunton, R, Raczkowski, A.M, Athayde, D, Catalao, M.J, Pimentel, M, Clarke, O.B, Lowary, T.L, Archer, M, Niederweis, M, Potter, C.S, Carragher, B, Mancia, F.
登録日2020-03-22
公開日2020-05-13
最終更新日2025-04-02
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Cryo-EM Structures and Regulation of Arabinofuranosyltransferase AftD from Mycobacteria.
Mol.Cell, 78, 2020
6W4F
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NMR-driven structure of KRAS4B-GDP homodimer on a lipid bilayer nanodisc
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, GTPase KRas, ...
著者Lee, K, Fang, Z, Enomoto, M, Gasmi-Seabrook, G.M, Zheng, L, Marshall, C.B, Ikura, M.
登録日2020-03-10
公開日2020-04-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Two Distinct Structures of Membrane-Associated Homodimers of GTP- and GDP-Bound KRAS4B Revealed by Paramagnetic Relaxation Enhancement.
Angew.Chem.Int.Ed.Engl., 59, 2020
7D12
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BU of 7d12 by Molmil
NMR solution structures of CAG RNA-DB213 binding complex
分子名称: N'-{(Z)-amino[4-(amino{[3-(dimethylammonio)propyl]iminio}methyl)phenyl]methylidene}-N,N-dimethylpropane-1,3-diaminium, RNA (5'-R(*GP*CP*AP*GP*CP*AP*GP*CP*UP*UP*CP*GP*GP*CP*AP*GP*CP*AP*GP*C)-3'), SODIUM ION
著者Chan, H.Y.E, Guo, P.
登録日2020-09-12
公開日2021-05-12
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献CAG RNAs induce DNA damage and apoptosis by silencing NUDT16 expression in polyglutamine degeneration.
Proc.Natl.Acad.Sci.USA, 118, 2021
7XJ3
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BU of 7xj3 by Molmil
Structure of human TRPV3
分子名称: [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate, fusion of transient receptor potential cation channel subfamily V member 3 and 3C-GFP
著者Fan, J, Yue, Z, Jiang, D, Lei, X.
登録日2022-04-14
公開日2022-11-09
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.54 Å)
主引用文献Structural basis of TRPV3 inhibition by an antagonist.
Nat.Chem.Biol., 19, 2023

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