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6P55
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BU of 6p55 by Molmil
Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae acylated by cefixime
分子名称: DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, cefixime, ...
著者Singh, A, Davies, C.
登録日2019-05-29
公開日2019-08-07
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Recognition of the beta-lactam carboxylate triggers acylation ofNeisseria gonorrhoeaepenicillin-binding protein 2.
J.Biol.Chem., 294, 2019
2KYR
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BU of 2kyr by Molmil
Solution structure of Enzyme IIB subunit of PTS system from Escherichia coli K12. Northeast Structural Genomics Consortium target ER315/Ontario Center for Structural Proteomics target ec0544
分子名称: Fructose-like phosphotransferase enzyme IIB component 1
著者Wu, B, Yee, A, Gutmanas, A, Semest, A, Montelione, G.T, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Ontario Centre for Structural Proteomics (OCSP)
登録日2010-06-07
公開日2010-06-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of Enzyme IIB subunit of PTS system from Escherichia coli K12, Northeast Structural Genomics Consortium target ER315/Ontario Center for Structural Proteomics target ec0544
To be Published
2VUQ
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BU of 2vuq by Molmil
Crystal structure of a human tRNAGly acceptor stem microhelix (derived from the gene sequence DG9990) at 1.18 Angstroem resolution
分子名称: 5'-R(*CP*CP*AP*AP*UP*GP*CP)-3', 5'-R(*GP*CP*AP*UP*UP*GP*GP)-3'
著者Eichert, A, Perbandt, M, Schreiber, A, Fuerste, J.P, Betzel, C, Erdmann, V.A, Foerster, C.
登録日2008-05-29
公開日2009-03-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Crystal Structure of the Human Trnagly Microhelix Isoacceptor G9990 at 1.18 A Resolution
Biochem.Biophys.Res.Commun., 380, 2009
8BAQ
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BU of 8baq by Molmil
E. coli C7 DarT1 in complex with NAD+
分子名称: 1,2-ETHANEDIOL, DarT ssDNA thymidine ADP-ribosyltransferase family protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Schuller, M, Ariza, A.
登録日2022-10-11
公開日2023-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular basis for the reversible ADP-ribosylation of guanosine bases.
Mol.Cell, 83, 2023
8BAU
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BU of 8bau by Molmil
Phytophthora nicotianae var. parasitica NADAR in complex with ADP-ribose
分子名称: 1,2-ETHANEDIOL, NADAR domain-containing protein, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Schuller, M, Ariza, A.
登録日2022-10-11
公開日2023-07-12
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular basis for the reversible ADP-ribosylation of guanosine bases.
Mol.Cell, 83, 2023
2VY0
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BU of 2vy0 by Molmil
The X-ray structure of endo-beta-1,3-glucanase from Pyrococcus furiosus
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ...
著者Ilari, A, Fiorillo, A.
登録日2008-07-15
公開日2009-03-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Crystal Structure of a Family 16 Endoglucanase from the Hyperthermophile Pyrococcus Furiosus-Structural Basis of Substrate Recognition.
FEBS J., 276, 2009
6V98
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BU of 6v98 by Molmil
Crystal structure of Type VI secretion system effector, TseH (VCA0285)
分子名称: CALCIUM ION, Cysteine hydrolase
著者Watanabe, N, Hersch, S.J, Dong, T.G, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-12-13
公開日2020-01-15
最終更新日2020-05-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Envelope stress responses defend against type six secretion system attacks independently of immunity proteins.
Nat Microbiol, 5, 2020
1DRF
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BU of 1drf by Molmil
CRYSTAL STRUCTURE OF HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE
分子名称: DIHYDROFOLATE REDUCTASE, FOLIC ACID, SULFATE ION
著者Oefner, C, D'Arcy, A, Winkler, F.K.
登録日1990-08-09
公開日1992-01-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of human dihydrofolate reductase complexed with folate.
Eur.J.Biochem., 174, 1988
1M6Z
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BU of 1m6z by Molmil
Crystal structure of reduced recombinant cytochrome c4 from Pseudomonas stutzeri
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome c4, GLYCEROL, ...
著者Noergaard, A, Harris, P, Larsen, S, Christensen, H.E.M.
登録日2002-07-18
公開日2003-09-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural comparison of recombinant Pseudomonas stutzeri cytochrome c4 in two oxidation states
To be Published
6SQC
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BU of 6sqc by Molmil
Crystal structure of complex between nuclear coactivator binding domain of CBP and [1040-1086]ACTR containing alpha-methylated Leu1055 and Leu1076
分子名称: 1,2-ETHANEDIOL, Maltose/maltodextrin-binding periplasmic protein,CREB-binding protein, Nuclear receptor coactivator 3, ...
著者Bauer, V, Schmidtgall, B, Gogl, G, Dolenc, j, Osz, J, Kostmann, C, Mitschler, A, Cousido-Siah, A, Rochel, N, Trave, G, Kieffer, B, Torbeev, V.
登録日2019-09-03
公開日2020-09-30
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Conformational editing of intrinsically disordered protein by alpha-methylation.
Chem Sci, 12, 2020
2VQJ
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BU of 2vqj by Molmil
Structure of HDAC4 catalytic domain bound to a trifluoromethylketone inhbitor
分子名称: 1,4-DIETHYLENE DIOXIDE, 2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-1,1-DIOL, HISTONE DEACETYLASE 4, ...
著者Bottomley, M.J, Lo Surdo, P, Di Giovine, P, Cirillo, A, Scarpelli, R, Ferrigno, F, Jones, P, Neddermann, P, De Francesco, R, Steinkuhler, C, Gallinari, P, Carfi, A.
登録日2008-03-17
公開日2008-07-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and Functional Analysis of the Human Hdac4 Catalytic Domain Reveals a Regulatory Zinc-Binding Domain.
J.Biol.Chem., 283, 2008
4QT2
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BU of 4qt2 by Molmil
Crystal Structure of the FK506-Binding Domain of Plasmodium Falciparum FKBP35 in complex with Rapamycin
分子名称: FK506-binding protein (FKBP)-type peptidyl-propyl isomerase, IMIDAZOLE, RAPAMYCIN IMMUNOSUPPRESSANT DRUG
著者Bianchin, A, Allemand, F, Bell, A, Chubb, A.J, Guichou, J.-F.
登録日2014-07-07
公開日2015-06-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Two crystal structures of the FK506-binding domain of Plasmodium falciparum FKBP35 in complex with rapamycin at high resolution
Acta Crystallogr.,Sect.D, 71, 2015
1E2G
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BU of 1e2g by Molmil
Human thymidylate kinase complexed with ADP, TDP and a magnesium-ion
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, THYMIDINE-5'-DIPHOSPHATE, ...
著者Ostermann, N, Schlichting, I, Brundiers, R, Konrad, M, Reinstein, J, Veit, T, Goody, R.S, Lavie, A.
登録日2000-05-22
公開日2001-05-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Insights Into the Phosphoryltransfer Mechanism of Human Thymidylate Kinase Gained from Crystal Structures of Enzyme Complexes Along the Reaction Coordinate
Structure, 8, 2000
6P0R
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BU of 6p0r by Molmil
Methyltransferase domain of human suppressor of variegation 3-9 homolog 2 (SUV39H2) in complex with OTS186935 inhibitor
分子名称: (3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-[(pyridin-4-yl)methyl]pyrrolidin-3-amine, Histone-lysine N-methyltransferase SUV39H2, UNKNOWN ATOM OR ION, ...
著者Halabelian, L, Dong, A, Zeng, H, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2019-05-17
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Methyltransferase domain of human suppressor of variegation 3-9 homolog 2 (SUV39H2) in complex with OTS186935 inhibitor
to be published
6ZTJ
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BU of 6ztj by Molmil
E. coli 70S-RNAP expressome complex in NusG-coupled state (38 nt intervening mRNA)
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S1, ...
著者Webster, M.W, Takacs, M, Weixlbaumer, A.
登録日2020-07-20
公開日2020-09-16
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural basis of transcription-translation coupling and collision in bacteria.
Science, 369, 2020
1NOG
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BU of 1nog by Molmil
Crystal Structure of Conserved Protein 0546 from Thermoplasma Acidophilum
分子名称: conserved hypothetical protein TA0546
著者Saridakis, V, Sanishvili, R, Iakounine, A, Xu, X, Pennycooke, M, Gu, J, Joachimiak, A, Arrowsmith, C.H, Edwards, A.M, Christendat, D, Midwest Center for Structural Genomics (MCSG)
登録日2003-01-16
公開日2003-07-29
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The structural basis for methylmalonic aciduria. The crystal structure of archaeal ATP:cobalamin adenosyltransferase.
J.Biol.Chem., 279, 2004
1E3M
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BU of 1e3m by Molmil
The crystal structure of E. coli MutS binding to DNA with a G:T mismatch
分子名称: 5'-D(*AP*GP*CP*TP*GP*CP*CP*AP*GP*GP*CP*AP*CP*CP*AP* GP*TP*GP*TP*CP*AP*GP*CP*GP*TP*CP*CP*TP*AP*T)-3', 5'-D(*AP*TP*AP*GP*GP*AP*CP*GP*CP*TP*GP*AP*CP*AP*CP* TP*GP*GP*TP*GP*CP*TP*TP*GP*GP*CP*AP*GP*CP*T)-3', ADENOSINE-5'-DIPHOSPHATE, ...
著者Lamers, M.H, Perrakis, A, Enzlin, J.H, Winterwerp, H.H.K, De Wind, N, Sixma, T.K.
登録日2000-06-19
公開日2000-11-01
最終更新日2017-07-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Crystal Structure of DNA Mismatch Repair Protein Muts Binding to a G X T Mismatch
Nature, 407, 2000
3UPE
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BU of 3upe by Molmil
Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor
分子名称: 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-({1-[(1Z)-ethanimidoyl]piperidin-4-yl}oxy)-2-(propan-2-yl)-1H-indole-4-carboxylic acid, CALCIUM ION, Cationic trypsin, ...
著者Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T.
登録日2011-11-18
公開日2012-11-21
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
1E2D
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BU of 1e2d by Molmil
Human thymidylate kinase complexed with thymidine monophosphate, adenosine diphosphate and a magnesium-ion
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, THYMIDINE-5'-PHOSPHATE, ...
著者Ostermann, N, Schlichting, I, Brundiers, R, Konrad, M, Reinstein, J, Veit, T, Goody, R.S, Lavie, A.
登録日2000-05-22
公開日2001-05-17
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Insights Into the Phosphoryltransfer Mechanism of Human Thymidylate Kinase Gained from Crystal Structures of Enzyme Complexes Along the Reaction Coordinate
Structure, 8, 2000
6SOS
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BU of 6sos by Molmil
Engineered streptavidin variant (ENAGY) in complex with the Twin-Strep-tag peptide
分子名称: Streptavidin, Twin-Strep-tag peptide
著者Skerra, A, Eichinger, A.
登録日2019-08-29
公開日2020-09-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Role of Changing Loop Conformations in Streptavidin Versions Engineered for High-affinity Binding of the Strep-tag II Peptide.
J.Mol.Biol., 433, 2021
6SP4
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BU of 6sp4 by Molmil
KEAP1 IN COMPLEX WITH COMPOUND 23
分子名称: (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide, Kelch-like ECH-associated protein 1
著者Ontoria, J.M, Biancofiore, I, Fezzardi, P, Torrente de Haro, E, Colarusso, S, Bianchi, E, Andreini, M, Patsilinakos, A, Summa, V, Pacifici, R, Munoz-Sanjuan, I, Park, L, Bresciani, A, Dominguez, C, Toledo-Sherman, L, Harper, S.
登録日2019-08-30
公開日2020-06-03
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction.
Acs Med.Chem.Lett., 11, 2020
6P3U
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BU of 6p3u by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT335
分子名称: 1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2019-05-24
公開日2019-09-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Probing the Robustness of Inhibitors of Tuberculosis Aminoglycoside Resistance Enzyme Eis by Mutagenesis.
Acs Infect Dis., 5, 2019
3UQV
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BU of 3uqv by Molmil
Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor
分子名称: 3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide, CALCIUM ION, Cationic trypsin, ...
著者Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T.
登録日2011-11-21
公開日2012-11-21
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
5MQT
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BU of 5mqt by Molmil
Crystal structure of dCK mutant C3S in complex with imatinib and UDP
分子名称: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Deoxycytidine kinase, ...
著者Saez-Ayala, M, Rebuffet, E, Hammam, K, Gros, L, Lopez, S, Hajem, B, Humbert, M, Baudelet, E, Audebert, S, Betzi, S, Lugari, A, Combes, S, Pez, D, Letard, S, Mansfield, C, Moussy, A, de Sepulveda, P, Morelli, X, Dubreuil, P.
登録日2016-12-20
公開日2017-11-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Dual protein kinase and nucleoside kinase modulators for rationally designed polypharmacology.
Nat Commun, 8, 2017
1DVP
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BU of 1dvp by Molmil
CRYSTAL STRUCTURE OF THE VHS AND FYVE TANDEM DOMAINS OF HRS, A PROTEIN INVOLVED IN MEMBRANE TRAFFICKING AND SIGNAL TRANSDUCTION
分子名称: CITRIC ACID, HEPATOCYTE GROWTH FACTOR-REGULATED TYROSINE KINASE SUBSTRATE, ZINC ION
著者Mao, Y, Nickitenko, A, Duan, X, Lloyd, T.E, Wu, M.N, Bellen, H, Quiocho, F.A.
登録日2000-01-21
公開日2000-03-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the VHS and FYVE tandem domains of Hrs, a protein involved in membrane trafficking and signal transduction.
Cell(Cambridge,Mass.), 100, 2000

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