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8DT9
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BU of 8dt9 by Molmil
Crystal Structure of SARS CoV-2 Mpro mutant L141R with Pfizer Intravenous Inhibitor PF-00835231
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, ...
著者Shaqra, A.M, Schiffer, C.A.
登録日2022-07-25
公開日2024-02-07
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Contributions of Hyperactive Mutations in M pro from SARS-CoV-2 to Drug Resistance.
Acs Infect Dis., 10, 2024
8F5A
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BU of 8f5a by Molmil
Crystal Structure of KS1 TCR in complex with HLA-B*57:01-TW10
分子名称: ACETATE ION, Beta-2-microglobulin, CHLORIDE ION, ...
著者Chatzileontiadou, D.S.M, Lobos, C.A, Gras, S.
登録日2022-11-12
公開日2024-05-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of KS1 TCR in complex with HLA-B*57:01-TW10
To Be Published
8EN9
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BU of 8en9 by Molmil
TehA native-SAD structure determined at 5 keV with a helium environment
分子名称: CHLORIDE ION, SODIUM ION, Tellurite resistance protein TehA homolog, ...
著者Karasawa, A, Andi, B, Ruchs, M.R, Shi, W, McSweeney, S, Hendrickson, W.A, Liu, Q.
登録日2022-09-29
公開日2022-11-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Multi-crystal native-SAD phasing at 5 keV with a helium environment.
Iucrj, 9, 2022
6ORJ
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BU of 6orj by Molmil
Central spike of phiKZ phage tail
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, PHIKZ164, ...
著者Leiman, P.G, Browning, C, Shneider, M.M.
登録日2019-04-30
公開日2019-06-19
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Central spike of phiKZ phage tail
To Be Published
6LEH
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BU of 6leh by Molmil
Crystal structure of Autotaxin in complex with an inhibitor
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Nishimasu, H, Osamu, N.
登録日2019-11-25
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of PotentIn VivoAutotaxin Inhibitors that Bind to Both Hydrophobic Pockets and Channels in the Catalytic Domain.
J.Med.Chem., 63, 2020
6LP8
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BU of 6lp8 by Molmil
Crystal structure of human DHODH in complex with inhibitor 1243
分子名称: 3-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
著者Chen, Q, Yu, Y.
登録日2020-01-09
公開日2020-09-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production.
J.Med.Chem., 63, 2020
5NJA
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BU of 5nja by Molmil
E. coli Microcin-processing metalloprotease TldD/E with angiotensin analogue bound
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HIS-PRO-PHE, ...
著者Ghilarov, D, Serebryakova, M, Stevenson, C.E.M, Hearnshaw, S.J, Volkov, D, Maxwell, A, Lawson, D.M, Severinov, K.
登録日2017-03-28
公開日2017-10-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The Origins of Specificity in the Microcin-Processing Protease TldD/E.
Structure, 25, 2017
5NEP
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BU of 5nep by Molmil
The structure of the G. violaceus guanidine II riboswitch P1 stem-loop with methylguanidine
分子名称: 1-METHYLGUANIDINE, RNA (5'-R(*GP*GP*UP*GP*GP*GP*GP*AP*CP*GP*AP*CP*CP*CP*CP*AP*(CBV)P*C)-3'), SODIUM ION, ...
著者Huang, L, Wang, J, Lilley, D.M.J.
登録日2017-03-11
公開日2017-05-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Structure of the Guanidine-II Riboswitch.
Cell Chem Biol, 24, 2017
5M4J
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BU of 5m4j by Molmil
Crystal Structure of Wild-Type Human Prolidase with GlyPro ligand
分子名称: GLYCEROL, GLYCINE, PROLINE, ...
著者Wilk, P, Weiss, M.S, Mueller, U, Dobbek, H.
登録日2016-10-18
公開日2017-07-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Substrate specificity and reaction mechanism of human prolidase.
FEBS J., 284, 2017
6USA
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BU of 6usa by Molmil
Crystal structure of tryptophan synthase from M. tuberculosis - aminoacrylate- and GSK1-bound form
分子名称: (3R,4R)-4-[4-(2-Chlorophenyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol, 1,2-ETHANEDIOL, 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, ...
著者Chang, C, Michalska, K, Maltseva, N.I, Jedrzejczak, R, McCarren, P, Nag, P.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-10-25
公開日2020-09-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.406 Å)
主引用文献Allosteric inhibitors of Mycobacterium tuberculosis tryptophan synthase.
Protein Sci., 29, 2020
6OXN
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BU of 6oxn by Molmil
2.6 Angstrom structure of W45F/H46S Glyoxylate/Hydroxypyruvate reductase A from Escherichia Coli in complex with glyoxylate and NADP
分子名称: GLYCEROL, GLYOXYLIC ACID, Glyoxylate/hydroxypyruvate reductase A, ...
著者Vuksanovic, N, Silvaggi, N.R.
登録日2019-05-13
公開日2020-05-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献2.1 Angstrom structure of wild type Glyoxylate/Hydroxypyruvate reductase A from Escherichia Coli in complex with glyoxylate and NADP
To Be Published
5LR4
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BU of 5lr4 by Molmil
RNA duplex has central consecutive GA pairs flanked by G-U basepairs with a methyl group on the adenine N6
分子名称: RNA (5'-R(*GP*(CBV)P*CP*GP*GP*(6MZ)P*UP*GP*GP*C)-3'), SODIUM ION
著者Huang, L, Lilley, D.M.J.
登録日2016-08-18
公開日2017-06-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Control of box C/D snoRNP assembly by N(6)-methylation of adenine.
EMBO Rep., 18, 2017
5LHL
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BU of 5lhl by Molmil
Crystal Structure of Two-Domain Laccase from Streptomyces griseoflavus
分子名称: CHLORIDE ION, COPPER (II) ION, OXYGEN MOLECULE, ...
著者Gabdulkhakov, A.G.
登録日2016-07-12
公開日2017-08-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Two-Domain Laccase from Streptomyces griseoflavus
To Be Published
3VSB
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BU of 3vsb by Molmil
SUBTILISIN CARLSBERG D-NAPHTHYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
分子名称: SODIUM ION, SUBTILISIN CARLSBERG, TYPE VIII
著者Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F.
登録日1997-09-25
公開日1998-03-25
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
4XOJ
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BU of 4xoj by Molmil
Structure of bovine trypsin in complex with analogues of sunflower inhibitor 1 (SFTI-1)
分子名称: 1,2-ETHANEDIOL, AMMONIUM ION, CALCIUM ION, ...
著者Golik, P, Malicki, S, Grudnik, P, Karna, N, Debowski, D, Legowska, A, Wladyka, B, Gitlin, A, Brzozowski, K, Dubin, G, Rolka, K.
登録日2015-01-16
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (0.91 Å)
主引用文献Investigation of Serine-Proteinase-Catalyzed Peptide Splicing in Analogues of Sunflower Trypsin Inhibitor 1 (SFTI-1).
Chembiochem, 16, 2015
2IZE
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BU of 2ize by Molmil
APOSTREPTAVIDIN PH 3.08 I222 COMPLEX
分子名称: AMMONIUM ION, CHLORIDE ION, FORMIC ACID, ...
著者Katz, B.A.
登録日1997-08-13
公開日1998-09-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Binding of biotin to streptavidin stabilizes intersubunit salt bridges between Asp61 and His87 at low pH.
J.Mol.Biol., 274, 1997
6PBK
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BU of 6pbk by Molmil
Archaellum periplasmic stator protein complex FlaF and FlaG from Sulfolobus acidocaldarius
分子名称: 1,2-ETHANEDIOL, Conserved flagellar protein F, DI(HYDROXYETHYL)ETHER, ...
著者Tsai, C.-L, Tainer, J.A.
登録日2019-06-14
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.805 Å)
主引用文献The structure of the periplasmic FlaG-FlaF complex and its essential role for archaellar swimming motility.
Nat Microbiol, 5, 2020
6MEC
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BU of 6mec by Molmil
Structure of a group II intron retroelement after DNA integration
分子名称: MAGNESIUM ION, Maturase reverse transcriptase, SODIUM ION, ...
著者Haack, D, Yan, X, Zhang, C, Hingey, J, Lyumkis, D, Baker, T.S, Toor, N.
登録日2018-09-06
公開日2019-08-14
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM Structures of a Group II Intron Reverse Splicing into DNA.
Cell, 178, 2019
5MLO
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BU of 5mlo by Molmil
Crystal structure of human PCNA in complex with ZRANB3 PIP box peptide
分子名称: Proliferating cell nuclear antigen, SODIUM ION, ZRANB3 PIP box peptide
著者Ariza, A.
登録日2016-12-07
公開日2017-06-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural insights into the function of ZRANB3 in replication stress response.
Nat Commun, 8, 2017
4XD0
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BU of 4xd0 by Molmil
X-ray structure of the N-formyltransferase QdtF from Providencia alcalifaciens
分子名称: (3R,4S,5R,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate, CHLORIDE ION, N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid, ...
著者Thoden, J.B, Woodford, C.R, Holden, H.M.
登録日2014-12-18
公開日2015-01-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献New Role for the Ankyrin Repeat Revealed by a Study of the N-Formyltransferase from Providencia alcalifaciens.
Biochemistry, 54, 2015
6VH9
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BU of 6vh9 by Molmil
FphF, Staphylococcus aureus fluorophosphonate-binding serine hydrolases F, apo form
分子名称: Esterase family protein, SODIUM ION
著者Fellner, M, Jamieson, S.A, Brewster, J.L, Mace, P.D.
登録日2020-01-09
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structural Basis for the Inhibitor and Substrate Specificity of the Unique Fph Serine Hydrolases of Staphylococcus aureus .
Acs Infect Dis., 6, 2020
5MXE
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BU of 5mxe by Molmil
Photorhabdus asymbiotica lectin (PHL) in free form
分子名称: CHLORIDE ION, Photorhabdus asymbiotica lectin PHL, SODIUM ION
著者Jancarikova, G, Houser, J, Demo, G, Wimmerova, M.
登録日2017-01-23
公開日2017-08-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Characterization of novel bangle lectin from Photorhabdus asymbiotica with dual sugar-binding specificity and its effect on host immunity.
PLoS Pathog., 13, 2017
7D0Z
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BU of 7d0z by Molmil
NMR solution structures of the DNA minidumbbell formed by two CCTG repeats at pH 5
分子名称: DNA (5'-D(*(DCZ)P*CP*TP*GP*CP*CP*TP*G)-3'), SODIUM ION
著者Guo, P, Lam, S.L.
登録日2020-09-12
公開日2021-02-03
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献5-Methylcytosine Substantially Enhances the Thermal Stability of DNA Minidumbbells.
Chemistry, 27, 2021
6UOM
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BU of 6uom by Molmil
Y271G DNA polymerase beta ternary complex with templating adenine and incoming r8-oxo-GTP
分子名称: 1,2-ETHANEDIOL, 2',3'-DIDEOXYCYTIDINE-5'-MONOPHOSPHATE, 8-OXO-GUANOSINE-5'-TRIPHOSPHATE, ...
著者Smith, M.R, Freudenthal, B.D.
登録日2019-10-15
公開日2020-01-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Molecular and structural characterization of oxidized ribonucleotide insertion into DNA by human DNA polymerase beta.
J.Biol.Chem., 295, 2020
5M85
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BU of 5m85 by Molmil
Three-dimensional structure of the intermediate state of GAF3 from Slr1393 of Synechocystis sp. PCC6803
分子名称: (2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHYCOCYANOBILIN, ...
著者Xu, X.-L, Zhao, K.-H, Gaertner, W, Hoeppner, A.
登録日2016-10-28
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural elements regulating the photochromicity in a cyanobacteriochrome
Proc.Natl.Acad.Sci.USA, 2020

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