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4MYO
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BU of 4myo by Molmil
Crystal structure of streptogramin group A antibiotic acetyltransferase VatA from Staphylococcus aureus
分子名称: CHLORIDE ION, MAGNESIUM ION, SULFATE ION, ...
著者Stogios, P.J, Minasov, G, Dong, A, Evdokimova, E, Yim, V, Krishnamoorthy, M, Di Leo, R, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-09-27
公開日2013-10-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.696 Å)
主引用文献Potential for Reduction of Streptogramin A Resistance Revealed by Structural Analysis of Acetyltransferase VatA.
Antimicrob.Agents Chemother., 58, 2014
2Z2H
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BU of 2z2h by Molmil
NMR Structure of the IQ-modified Dodecamer CTCG[IQ]GCGCCATC
分子名称: 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-2-AMINE, DNA (5'-D(*DCP*DTP*DCP*DGP*DGP*DCP*DGP*DCP*DCP*DAP*DTP*DC)-3'), DNA (5'-D(*DGP*DAP*DTP*DGP*DGP*DCP*DGP*DCP*DCP*DGP*DAP*DG)-3')
著者Wang, F, Elmquist, C.E, Stover, J.S, Rizzo, C.J, Stone, M.P.
登録日2007-05-22
公開日2007-10-02
最終更新日2023-11-29
実験手法SOLUTION NMR
主引用文献DNA sequence modulates the conformation of the food mutagen 2-amino-3-methylimidazo[4,5-f]quinoline in the recognition sequence of the NarI restriction enzyme
Biochemistry, 46, 2007
5U7A
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BU of 5u7a by Molmil
Crystal structure of a complex formed between MerB and Dimethyltin
分子名称: Alkylmercury lyase, BROMIDE ION, Dimethyltin dibromide, ...
著者Wahba, H.M, Stevenson, M, Mansour, A, Sygusch, J, Wilcox, D.E, Omichinski, J.G.
登録日2016-12-12
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.532 Å)
主引用文献Structural and Biochemical Characterization of Organotin and Organolead Compounds Binding to the Organomercurial Lyase MerB Provide New Insights into Its Mechanism of Carbon-Metal Bond Cleavage.
J. Am. Chem. Soc., 139, 2017
3M5L
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BU of 3m5l by Molmil
Crystal structure of HCV NS3/4A protease in complex with ITMN-191
分子名称: (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate, NS3/4A, SULFATE ION, ...
著者Schiffer, C.A, Romano, K.P.
登録日2010-03-12
公開日2010-11-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Drug resistance against HCV NS3/4A inhibitors is defined by the balance of substrate recognition versus inhibitor binding.
Proc.Natl.Acad.Sci.USA, 107, 2010
2WQD
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BU of 2wqd by Molmil
Crystal structure of enzyme I of the phosphoenolpyruvate:sugar phosphotransferase system in the dephosphorylated state
分子名称: CALCIUM ION, PHOSPHOENOLPYRUVATE-PROTEIN PHOSPHOTRANSFERASE
著者Oberholzer, A.E, Schneider, P, Siebold, C, Baumann, U, Erni, B.
登録日2009-08-19
公開日2009-10-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of Enzyme I of the Phosphoenolpyruvate:Sugar Phosphotransferase System in the Dephosphorylated State.
J.Biol.Chem., 284, 2009
5U7C
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BU of 5u7c by Molmil
Crystal structure of the lead-bound form of MerB formed from diethyllead.
分子名称: ACETATE ION, Alkylmercury lyase, BROMIDE ION, ...
著者Wahba, H.M, Stevenson, M, Mansour, A, Sygusch, J, Wilcox, D.E, Omichinski, J.G.
登録日2016-12-12
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and Biochemical Characterization of Organotin and Organolead Compounds Binding to the Organomercurial Lyase MerB Provide New Insights into Its Mechanism of Carbon-Metal Bond Cleavage.
J. Am. Chem. Soc., 139, 2017
5U82
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BU of 5u82 by Molmil
Crystal structure of a MerB-triethyltin complex
分子名称: ACETATE ION, Alkylmercury lyase, BROMIDE ION, ...
著者Wahba, H.M, Stevenson, M, Mansour, A, Sygusch, J, Wilcox, D.E, Omichinski, J.G.
登録日2016-12-13
公開日2017-01-11
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献Structural and Biochemical Characterization of Organotin and Organolead Compounds Binding to the Organomercurial Lyase MerB Provide New Insights into Its Mechanism of Carbon-Metal Bond Cleavage.
J. Am. Chem. Soc., 139, 2017
2PJD
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BU of 2pjd by Molmil
Crystal structure of 16S rRNA methyltransferase RsmC
分子名称: Ribosomal RNA small subunit methyltransferase C
著者Sunita, S, Purta, E, Durawa, M, Tkaczuk, K.L, Bujnicki, J.M, Sivaraman, J.
登録日2007-04-16
公開日2007-07-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Functional specialization of domains tandemly duplicated within 16S rRNA methyltransferase RsmC
Nucleic Acids Res., 35, 2007
5TPU
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BU of 5tpu by Molmil
x-ray structure of the WlaRB TDP-quinovose 3,4-ketoisomerase from campylobacter jejuni
分子名称: CHLORIDE ION, Putative uncharacterized protein, THYMIDINE-5'-DIPHOSPHATE
著者Holden, H.M, Thoden, J.B, Li, J.Z, Riegert, A.S, Goneau, M.-F, Cunningham, A.M, Vinogradov, E, Schoenhofen, I.C, Gilbert, M.
登録日2016-10-21
公開日2017-02-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Characterization of the dTDP-Fuc3N and dTDP-Qui3N biosynthetic pathways in Campylobacter jejuni 81116.
Glycobiology, 27, 2017
3WYY
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BU of 3wyy by Molmil
CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH (E)-3-(4-((6-(((3s,5s,7s)-adamantan-1-yl)amino)-4-amino-5-cyanopyridin-2-yl)amino)-2-(cyanomethoxy)phenyl)-N-(2-methoxyethyl)acrylamide
分子名称: (2E)-3-[4-({4-amino-5-cyano-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]pyridin-2-yl}amino)-2-(cyanomethoxy)phenyl]-N-(2-methoxyethyl)prop-2-enamide, Dual specificity protein kinase TTK
著者Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Murai, H, Nakamura, Y.
登録日2014-09-10
公開日2015-04-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献A unique hinge binder of extremely selective aminopyridine-based Mps1 (TTK) kinase inhibitors with cellular activity.
Bioorg.Med.Chem., 23, 2015
5V6V
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BU of 5v6v by Molmil
Crystal structure of small molecule aziridine 3 covalently bound to K-Ras G12C
分子名称: 3-amino-1-{4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ...
著者McGregor, L.M, Jenkins, M, Kerwin, C, Burke, J.E, Shokat, K.M.
登録日2017-03-17
公開日2017-06-28
最終更新日2019-11-20
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Expanding the Scope of Electrophiles Capable of Targeting K-Ras Oncogenes.
Biochemistry, 56, 2017
3DF9
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BU of 3df9 by Molmil
Crystal structure of E. coli MTA/SAH nucleosidase in complex with BnT-DADMeImmA
分子名称: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin-3-ol, MTA/SAH nucleosidase
著者Siu, K.K.W, Howell, P.L.
登録日2008-06-11
公開日2009-03-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure of Staphylococcus aureus 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
Acta Crystallogr.,Sect.F, 64, 2008
3DDL
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BU of 3ddl by Molmil
Crystallographic Structure of Xanthorhodopsin, a Light-Driven Ion Pump with Dual Chromophore
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, RETINAL, ...
著者Stagno, J, Luecke, H, Schobert, B, Lanyi, J.K, Imasheva, E.S, Wang, J.M, Balashov, S.P.
登録日2008-06-05
公開日2008-10-14
最終更新日2016-06-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic structure of xanthorhodopsin, the light-driven proton pump with a dual chromophore.
Proc.Natl.Acad.Sci.USA, 105, 2008
3DCJ
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BU of 3dcj by Molmil
Crystal structure of glycinamide formyltransferase (PurN) from Mycobacterium tuberculosis in complex with 5-methyl-5,6,7,8-tetrahydrofolic acid derivative
分子名称: CHLORIDE ION, MAGNESIUM ION, N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID, ...
著者Zhang, Z, Squire, C.J, Baker, E.N.
登録日2008-06-03
公開日2009-05-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of glycinamide ribonucleotide transformylase (PurN) from Mycobacterium tuberculosis reveal a novel dimer with relevance to drug discovery.
J.Mol.Biol., 389, 2009
5TDE
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BU of 5tde by Molmil
TEV Cleaved Human ATP Citrate Lyase Bound to Citrate
分子名称: ATP-citrate synthase, CITRATE ANION, DIHYDROGENPHOSPHATE ION, ...
著者Hu, J, Fraser, M.E.
登録日2016-09-19
公開日2017-08-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Binding of hydroxycitrate to human ATP-citrate lyase.
Acta Crystallogr D Struct Biol, 73, 2017
1JQJ
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BU of 1jqj by Molmil
Mechanism of Processivity Clamp Opening by the Delta Subunit Wrench of the Clamp Loader Complex of E. coli DNA Polymerase III: Structure of the beta-delta complex
分子名称: DNA polymerase III, beta chain, delta subunit
著者Jeruzalmi, D, Yurieva, O, Zhao, Y, Young, M, Stewart, J, Hingorani, M, O'Donnell, M, Kuriyan, J.
登録日2001-08-07
公開日2001-11-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Mechanism of processivity clamp opening by the delta subunit wrench of the clamp loader complex of E. coli DNA polymerase III.
Cell(Cambridge,Mass.), 106, 2001
4N6L
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BU of 4n6l by Molmil
Crystal structure of human cystatin E/M
分子名称: Cystatin-M
著者Dall, E, Brandstetter, H.
登録日2013-10-14
公開日2015-02-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.952 Å)
主引用文献Structure and mechanism of an aspartimide-dependent Peptide ligase in human legumain.
Angew.Chem.Int.Ed.Engl., 54, 2015
3OLQ
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BU of 3olq by Molmil
The crystal structure of a universal stress protein E from Proteus mirabilis HI4320
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Tan, K, Chhor, G, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2010-08-26
公開日2010-09-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.816 Å)
主引用文献The crystal structure of a universal stress protein E from Proteus mirabilis HI4320
To be Published
3PCO
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BU of 3pco by Molmil
crystal structure of E. coli phenylalanine-tRNA synthetase complexed with phenylalanine and AMP
分子名称: ADENOSINE MONOPHOSPHATE, PHENYLALANINE, Phenylalanyl-tRNA synthetase, ...
著者Mermershtain, I, Finarov, I, Klipcan, L, Kessler, N, Rozenberg, H, Safro, M.G.
登録日2010-10-21
公開日2011-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Idiosyncrasy and identity in the prokaryotic phe-system: crystal structure of E. coli phenylalanyl-tRNA synthetase complexed with phenylalanine and AMP.
Protein Sci., 20, 2011
3PGR
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BU of 3pgr by Molmil
Asp348Arg mutant of EcFadL
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Long-chain fatty acid transport protein
著者Lepore, B.W, van den Berg, B, Indic, M, Hearn, E, Patel, D, Pham, H.
登録日2010-11-02
公開日2011-05-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献From the Cover: Ligand-gated diffusion across the bacterial outer membrane.
Proc.Natl.Acad.Sci.USA, 108, 2011
3GMC
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BU of 3gmc by Molmil
Crystal Structure of 2-Methyl-3-hydroxypyridine-5-carboxylic acid Oxygenase with substrate bound
分子名称: 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, 5-hydroxy-6-methylpyridine-3-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE
著者McCulloch, K.M, Mukherjee, T, Begley, T.P, Ealick, S.E.
登録日2009-03-13
公開日2009-04-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of the PLP degradative enzyme 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase from Mesorhizobium loti MAFF303099 and its mechanistic implications.
Biochemistry, 48, 2009
4OBY
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BU of 4oby by Molmil
Crystal Structure of E.coli Arginyl-tRNA Synthetase and Ligand Binding Studies Revealed Key Residues in Arginine Recognition
分子名称: ARGININE, Arginine--tRNA ligase
著者Bi, K, Zheng, Y, Dong, J, Gao, F, Wang, J, Wang, Y, Gong, W.
登録日2014-01-08
公開日2014-02-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.574 Å)
主引用文献Crystal structure of E. coli arginyl-tRNA synthetase and ligand binding studies revealed key residues in arginine recognition.
Protein Cell, 5, 2014
4PS2
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BU of 4ps2 by Molmil
Structure of the C-terminal fragment (87-165) of E.coli EAEC TssB molecule
分子名称: CHLORIDE ION, Putative type VI secretion protein, ZINC ION
著者Douzi, B, Logger, L, Spinelli, S, Blangy, S, Cambillau, C, Cascales, E.
登録日2014-03-06
公開日2015-03-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mapping the tube-sheath interface within the Type VI secretion system tail
To be Published
3QJO
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Refined Structure of the functional unit (KLH1-H) of keyhole limpet hemocyanin
分子名称: COPPER (II) ION, Hemocyanin 1
著者Jaenicke, E, Buchler, K, Decker, H, Markl, J, Schroder, G.F.
登録日2011-01-30
公開日2011-05-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献The refined structure of functional unit h of keyhole limpet hemocyanin (KLH1-h) reveals disulfide bridges.
Iubmb Life, 63, 2011
3QIO
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Crystal Structure of HIV-1 RNase H with engineered E. coli loop and N-hydroxy quinazolinedione inhibitor
分子名称: 3-hydroxy-6-(phenylsulfonyl)quinazoline-2,4(1H,3H)-dione, Gag-Pol polyprotein,Ribonuclease HI,Gag-Pol polyprotein, MANGANESE (II) ION, ...
著者Lansdon, E.B, Liu, Q.
登録日2011-01-27
公開日2011-04-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4011 Å)
主引用文献Structural and Binding Analysis of Pyrimidinol Carboxylic Acid and N-Hydroxy Quinazolinedione HIV-1 RNase H Inhibitors.
Antimicrob.Agents Chemother., 55, 2011

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