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4YQK
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BU of 4yqk by Molmil
Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
分子名称: 4-amino-N-(piperidin-4-yl)-1,2,5-oxadiazole-3-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
著者Elkins, P.A, Bonnette, W.G, Madauss, K.P, Stuckey, J.A.
登録日2015-03-13
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
2VK6
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BU of 2vk6 by Molmil
THE STRUCTURE OF CLOSTRIDIUM PERFRINGENS NANI SIALIDASE AND ITS CATALYTIC INTERMEDIATES
分子名称: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, CALCIUM ION, EXO-ALPHA-SIALIDASE, ...
著者Newstead, S.L, Potter, J.A, Wilson, J.C, Xu, G, Chien, C.H, Watts, A.G, Withers, S.G, Taylor, G.L.
登録日2007-12-17
公開日2008-01-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The Structure of Clostridium Perfringens Nani Sialidase and its Catalytic Intermediates.
J.Biol.Chem., 283, 2008
3EY0
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BU of 3ey0 by Molmil
A new form of DNA-drug interaction in the minor groove of a coiled coil
分子名称: 1,5-BIS(4-AMIDINOPHENOXY)PENTANE, 5'-D(*DAP*DTP*DAP*DTP*DAP*DTP*DAP*DTP*DAP*DT)-3', MAGNESIUM ION
著者Pous, J, Moreno, T, Subirana, J.A, Campos, J.L.
登録日2008-10-17
公開日2009-10-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Coiled-coil conformation of a pentamidine-DNA complex
Acta Crystallogr.,Sect.D, 66, 2010
7S5I
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BU of 7s5i by Molmil
Crystal structure of Aldose-6-phosphate reductase (Ald6PRase) from peach (Prunus persica) leaves
分子名称: Sorbitol-6-phosphate dehydrogenase
著者Zheng, Y, Bhayani, J.A, Romina, I.M, Hartman, M.D, Cereijo, A.E, Ballicora, M.A, Iglesias, A.A, Figueroa, C.M, Liu, D.
登録日2021-09-10
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Structural Determinants of Sugar Alcohol Biosynthesis in Plants: The Crystal Structures of Mannose-6-Phosphate and Aldose-6-Phosphate Reductases.
Plant Cell.Physiol., 63, 2022
2WKB
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BU of 2wkb by Molmil
Crystal Structure of Macrophage Migration Inhibitory Factor from Plasmodium berghei
分子名称: GLYCEROL, MACROPHAGE MIGRATION INHIBITORY FACTOR
著者Dobson, S.E, Augustijn, K.D, Brannigan, J.A, Dodson, E.J, Waters, A.P, Wilkinson, A.J.
登録日2009-06-08
公開日2009-10-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献The Crystal Structures of Macrophage Migration Inhibition Factor (Mif) from Plasmodium Falciparum and Plasmodium Berghei.
Protein Sci., 18, 2009
4YW3
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BU of 4yw3 by Molmil
Crystal Structure of Streptococcus pneumoniae NanC, complex with Neu5Ac and Neu5Ac2en following soaking with Neu5Ac2en
分子名称: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, GLYCEROL, N-acetyl-alpha-neuraminic acid, ...
著者Owen, C.D, Lukacik, P, Potter, J.A, Walsh, M, Taylor, G.L.
登録日2015-03-20
公開日2015-09-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR.
J.Biol.Chem., 290, 2015
4YBJ
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BU of 4ybj by Molmil
Type II Dasatinib Analog Crystallized with c-Src Kinase
分子名称: 2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(3-{[3-(trifluoromethyl)benzoyl]amino}phenyl)-1,3-thiazole-5-carboxamide, Proto-oncogene tyrosine-protein kinase Src
著者Kwarcinski, F.E, Brandvold, K.B, Johnson, T.K, Phadke, S, Meagher, J.L, Seeliger, M.A, Stuckey, J.A, Soellner, M.B.
登録日2015-02-18
公開日2016-03-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Conformation-Selective Analogues of Dasatinib Reveal Insight into Kinase Inhibitor Binding and Selectivity.
Acs Chem.Biol., 11, 2016
4YPB
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BU of 4ypb by Molmil
Precleavage 70S structure of the P. vulgaris HigB DeltaH92 toxin bound to the AAA codon
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Schureck, M.A, Dunkle, J.A, Maehigashi, T, Dunham, C.M.
登録日2015-03-12
公開日2015-10-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Defining the mRNA recognition signature of a bacterial toxin protein.
Proc.Natl.Acad.Sci.USA, 112, 2015
4YKU
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Heat Shock Protein 90 Bound to CS311
分子名称: 6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine, Heat shock protein HSP 90-alpha
著者Kang, Y.N, Stuckey, J.A.
登録日2015-03-04
公開日2016-03-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of Heat Shock Protein 90 Bound to CS311
To Be Published
2WQB
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Structure of the Tie2 kinase domain in complex with a thiazolopyrimidine inhibitor
分子名称: 2-[3-(CYCLOHEXYLMETHYL)-5-PHENYL-IMIDAZOL-4-YL]-[1,3]THIAZOLO[4,5-E]PYRIMIDIN-7-AMINE, ANGIOPOIETIN-1 RECEPTOR
著者Brassington, C, Breed, J, Buttar, D, Fitzek, M, Forder, C, Hassall, L, Hayter, B.R, Jones, C.D, Luke, R.W.A, McCall, E, McCoull, W, Norman, R, Paterson, D, McMiken, H, Rowsell, S, Tucker, J.A.
登録日2009-08-18
公開日2009-11-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Novel Thienopyrimidine and Thiazolopyrimidine Kinase Inhibitors with Activity Against Tie-2 in Vitro and in Vivo.
Bioorg.Med.Chem.Lett., 19, 2009
7S37
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Cas9:sgRNA (S. pyogenes) in the open-protein conformation
分子名称: CRISPR-associated endonuclease Cas9/Csn1, Single-guide RNA
著者Cofsky, J.C, Soczek, K.M, Knott, G.J, Nogales, E, Doudna, J.A.
登録日2021-09-04
公開日2022-04-20
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献CRISPR-Cas9 bends and twists DNA to read its sequence.
Nat.Struct.Mol.Biol., 29, 2022
7S3H
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BU of 7s3h by Molmil
Cas9:sgRNA:DNA (S. pyogenes) with 0 RNA:DNA base pairs, open-protein/linear-DNA conformation
分子名称: CRISPR-associated endonuclease Cas9/Csn1, Non-target DNA strand, Single-guide RNA, ...
著者Cofsky, J.C, Soczek, K.M, Knott, G.J, Nogales, E, Doudna, J.A.
登録日2021-09-06
公開日2022-04-20
最終更新日2022-05-04
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献CRISPR-Cas9 bends and twists DNA to read its sequence.
Nat.Struct.Mol.Biol., 29, 2022
7S36
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BU of 7s36 by Molmil
Cas9:sgRNA:DNA (S. pyogenes) with 0 RNA:DNA base pairs, closed-protein/bent-DNA conformation
分子名称: CRISPR-associated endonuclease Cas9/Csn1, Non-target DNA strand, Single-guide RNA, ...
著者Cofsky, J.C, Soczek, K.M, Knott, G.J, Nogales, E, Doudna, J.A.
登録日2021-09-04
公開日2022-04-20
最終更新日2022-05-04
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献CRISPR-Cas9 bends and twists DNA to read its sequence.
Nat.Struct.Mol.Biol., 29, 2022
7S38
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Cas9:sgRNA:DNA (S. pyogenes) forming a 3-base-pair R-loop
分子名称: CRISPR-associated endonuclease Cas9/Csn1, Non-target DNA strand, Single-guide RNA, ...
著者Cofsky, J.C, Soczek, K.M, Knott, G.J, Nogales, E, Doudna, J.A.
登録日2021-09-04
公開日2022-04-20
最終更新日2022-05-04
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献CRISPR-Cas9 bends and twists DNA to read its sequence.
Nat.Struct.Mol.Biol., 29, 2022
2X8P
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BU of 2x8p by Molmil
Crystal Structure of CbpF in Complex with Atropine by Co- Crystallization
分子名称: (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE, CHOLINE ION, CHOLINE-BINDING PROTEIN F, ...
著者Silva-Martin, N, Hermoso, J.A.
登録日2010-03-10
公開日2011-04-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Crystal Structures of Cbpf Complexed with Atropine and Ipratropium Reveal Clues for the Design of Novel Antimicrobials Against Streptococcus Pneumoniae.
Biochim.Biophys.Acta, 1840, 2013
4ZN7
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BU of 4zn7 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Diethylstilbestrol
分子名称: DIETHYLSTILBESTROL, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-05-04
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.934 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
4ZQ8
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Crystal structure of a terpene synthase from Streptomyces lydicus, target EFI-540129
分子名称: Isoprenoid Synthase
著者Toro, R, Bhosle, R, Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Poulter, C.D, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2015-05-08
公開日2015-07-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a terpene synthase from Streptomyces lydicus, target EFI-540129
To be published
2V4L
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BU of 2v4l by Molmil
complex of human phosphoinositide 3-kinase catalytic subunit gamma (p110 gamma) with PIK-284
分子名称: 3-[4-AMINO-1-(1-METHYLETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM
著者Apsel, B, Gonzalez, B, Blair, J.A, Nazif, T.M, Feldman, M.E, Williams, R.L, Shokat, K.M, Knight, Z.A.
登録日2008-09-25
公開日2008-10-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Targeted Polypharmacology: Discovery of Dual Inhibitors of Tyrosine and Phosphoinositide Kinases.
Nat.Chem.Biol., 4, 2008
2UWL
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Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa
分子名称: 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHENESULFONAMIDE, COAGULATION FACTOR X
著者Young, R.J, Brown, D, Burns-Kurtis, C.L, Chan, C, Convery, M.A, Hubbard, J.A, Kelly, H.A, Pateman, A.J, Patikis, A, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Zhou, P.
登録日2007-03-22
公開日2007-04-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa.
Bioorg.Med.Chem.Lett., 17, 2007
4ZBH
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BU of 4zbh by Molmil
THE CRYSTAL STRUCTURE OF THE SOLUBLE DOMAIN OF SULFOLOBUS ACIDOCALDARIUS FLAF
分子名称: Conserved flagellar protein F
著者Tsai, C.-L, Arvai, A.S, Ishida, J.P, Tainer, J.A.
登録日2015-04-14
公開日2015-04-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献FlaF Is a beta-Sandwich Protein that Anchors the Archaellum in the Archaeal Cell Envelope by Binding the S-Layer Protein.
Structure, 23, 2015
3FJ4
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BU of 3fj4 by Molmil
Crystal structure of muconate lactonizing enzyme from Pseudomonas Fluorescens complexed with muconolactone
分子名称: MAGNESIUM ION, Muconate cycloisomerase, [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
著者Fedorov, A.A, Fedorov, E.V, Sakai, A, Gerlt, J.A, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-12-14
公開日2009-03-31
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Evolution of enzymatic activities in the enolase superfamily: stereochemically distinct mechanisms in two families of cis,cis-muconate lactonizing enzymes
Biochemistry, 48, 2009
3FFS
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The Crystal Structure of Cryptosporidium parvum Inosine-5'-Monophosphate Dehydrogenase
分子名称: Inosine-5-monophosphate dehydrogenase
著者Riera, T.V, D'Aquino, J.A, Lu, J, Petsko, G.A, Hedstrom, L.
登録日2008-12-04
公開日2009-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献The structural basis of Cryptosporidium -specific IMP dehydrogenase inhibitor selectivity
J.Am.Chem.Soc., 132, 2010
7RVD
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BU of 7rvd by Molmil
Segment from the mouse/cow prion protein 168-176 QYSNQNNFV
分子名称: Major prion protein
著者Glynn, C, Rodriguez, J.A, Hernandez, E.
登録日2021-08-18
公開日2022-08-24
最終更新日2024-05-22
実験手法ELECTRON CRYSTALLOGRAPHY (1.003 Å)
主引用文献Structural and Biophysical Consequences of Sequence Variation in the B2a2 Loop of Mammalian Prions
To be published
7RVG
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Segment from rabbit/pig prion protein 168-176 QYSNQNSFV
分子名称: Major prion protein
著者Glynn, C, Rodriguez, J.A, Hernandez, E.
登録日2021-08-18
公開日2022-08-24
最終更新日2024-05-22
実験手法ELECTRON CRYSTALLOGRAPHY (1 Å)
主引用文献Structural and Biophysical Consequences of Sequence Variation in the B2a2 Loop of Mammalian Prions
To be published
7RVH
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Q172E mutant of the bank vole prion protein 168-176 QYNNENNFV
分子名称: Major prion protein
著者Glynn, C, Rodriguez, J.A, Hernandez, E.
登録日2021-08-18
公開日2022-08-24
最終更新日2024-05-22
実験手法ELECTRON CRYSTALLOGRAPHY (0.9 Å)
主引用文献Structural and Biophysical Consequences of Sequence Variation in the B2a2 Loop of Mammalian Prions
To be published

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