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6CQU
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BU of 6cqu by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase with Reactivator HI-6
分子名称: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J.
登録日2018-03-16
公開日2018-12-05
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.308 Å)
主引用文献Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6.
Chem. Res. Toxicol., 31, 2018
4PSE
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BU of 4pse by Molmil
Trichoderma reesei cutinase in complex with a C11Y4 phosphonate inhibitor
分子名称: Carbohydrate esterase family 5, UNDECYL-PHOSPHINIC ACID BUTYL ESTER, octyl beta-D-glucopyranoside
著者Roussel, A, Amara, S, Nyyssola, A, Mateos-Diaz, E, Blangy, S, Kontkanen, H, Westerholm-Parvinen, A, Carriere, F, Cambillau, C.
登録日2014-03-07
公開日2014-09-17
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献A Cutinase from Trichoderma reesei with a Lid-Covered Active Site and Kinetic Properties of True Lipases.
J.Mol.Biol., 426, 2014
4A0X
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BU of 4a0x by Molmil
Structure of the global transcription regulator FapR from Staphylococcus aureus
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, TRANSCRIPTION FACTOR FAPR, ...
著者Albanesi, D, Guerin, M.E, Buschiazzo, A, de Mendoza, D, Alzari, P.M.
登録日2011-09-13
公開日2012-09-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis for Feed-Forward Transcriptional Regulation of Membrane Lipid Homeostasis in Staphylococcus Aureus.
Plos Pathog., 9, 2013
4KIT
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BU of 4kit by Molmil
Crystal structure of human Brr2 in complex with the Prp8 Jab1/MPN domain
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Pre-mRNA-processing-splicing factor 8, ...
著者Wahl, M.C, Wandersleben, T, Santos, K.F.
登録日2013-05-02
公開日2013-06-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.598 Å)
主引用文献Inhibition of RNA helicase Brr2 by the C-terminal tail of the spliceosomal protein Prp8.
Science, 341, 2013
4RVQ
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BU of 4rvq by Molmil
PWI-like domain of Chaetomium thermophilum Brr2
分子名称: 1,2-ETHANEDIOL, Pre-mRNA splicing helicase-like protein, SULFATE ION
著者Absmeier, E, Rosenberger, L, Santos, K.F, Becke, C, Wahl, M.C.
登録日2014-11-27
公開日2015-04-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.135 Å)
主引用文献A noncanonical PWI domain in the N-terminal helicase-associated region of the spliceosomal Brr2 protein.
Acta Crystallogr.,Sect.D, 71, 2015
2AE2
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BU of 2ae2 by Molmil
TROPINONE REDUCTASE-II COMPLEXED WITH NADP+ AND PSEUDOTROPINE
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTEIN (TROPINONE REDUCTASE-II), PSEUDOTROPINE
著者Yamashita, A, Kato, H, Wakatsuki, S, Tomizaki, T, Nakatsu, T, Nakajima, K, Hashimoto, T, Yamada, Y, Oda, J.
登録日1999-01-26
公開日1999-02-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of tropinone reductase-II complexed with NADP+ and pseudotropine at 1.9 A resolution: implication for stereospecific substrate binding and catalysis.
Biochemistry, 38, 1999
3WLF
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BU of 3wlf by Molmil
Crystal structure of (R)-carbonyl reductase from Candida Parapsilosis in complex with (R)-1-phenyl-1,2-ethanediol
分子名称: (1R)-1-phenylethane-1,2-diol, (R)-specific carbonyl reductase, ZINC ION
著者Wang, S.S, Nie, Y, Xu, Y, Zhang, R.Z, Huang, C.H, Chan, H.C, Guo, R.T, Xiao, R.
登録日2013-11-09
公開日2014-07-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Unconserved substrate-binding sites direct the stereoselectivity of medium-chain alcohol dehydrogenase
Chem.Commun.(Camb.), 50, 2014
2AE1
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BU of 2ae1 by Molmil
TROPINONE REDUCTASE-II
分子名称: TROPINONE REDUCTASE-II
著者Nakajima, K, Yamashita, A, Akama, H, Nakatsu, T, Kato, H, Hashimoto, T, Oda, J, Yamada, Y.
登録日1997-10-27
公開日1998-11-18
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of two tropinone reductases: different reaction stereospecificities in the same protein fold.
Proc.Natl.Acad.Sci.USA, 95, 1998
3WLE
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BU of 3wle by Molmil
Crystal structure of (R)-carbonyl reductase from Candida Parapsilosis in complex with NAD
分子名称: (R)-specific carbonyl reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
著者Wang, S.S, Nie, Y, Xu, Y, Zhang, R.Z, Huang, C.H, Chan, H.C, Guo, R.T, Xiao, R.
登録日2013-11-08
公開日2014-07-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.164 Å)
主引用文献Unconserved substrate-binding sites direct the stereoselectivity of medium-chain alcohol dehydrogenase
Chem.Commun.(Camb.), 50, 2014
8S1X
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BU of 8s1x by Molmil
Crystal structure of Actinonin-bound PDF1 and the computationally designed DBAct553_1 protein binder
分子名称: ACTINONIN, DBAct553_1, FORMIC ACID, ...
著者Marchand, A, Pacesa, M, Correia, B.E.
登録日2024-02-16
公開日2024-10-30
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Targeting protein-ligand neosurfaces with a generalizable deep learning tool.
Nature, 639, 2025
7RSS
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BU of 7rss by Molmil
Kod-RI incorporating DNA, n+2
分子名称: DNA polymerase, Primer, Template
著者Hajjar, M, Chim, N, Chaput, J.C.
登録日2021-08-11
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Crystallographic analysis of engineered polymerases synthesizing phosphonomethylthreosyl nucleic acid.
Nucleic Acids Res., 50, 2022
7RSR
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BU of 7rsr by Molmil
Kod-RI incorporating PMT, n+2
分子名称: DNA polymerase, Primer, Template
著者Hajjar, M, Chim, N, Chaput, J.C.
登録日2021-08-11
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystallographic analysis of engineered polymerases synthesizing phosphonomethylthreosyl nucleic acid.
Nucleic Acids Res., 50, 2022
6A1O
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BU of 6a1o by Molmil
Crystal structures of disordered Z-type helices
分子名称: DNA (5'-D(P*CP*A)-3'), DNA (5'-D(P*CP*AP*CP*A)-3'), DNA (5'-D(P*TP*G)-3'), ...
著者Karthik, S, Mandal, P.K, Thirugnanasambandam, A, Gautham, N.
登録日2018-06-07
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Crystal structures of disordered Z-type helices.
Nucleosides Nucleotides Nucleic Acids, 38, 2019
17RA
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BU of 17ra by Molmil
BRANCHPOINT HELIX FROM YEAST AND BINDING SITE FOR PHAGE GA/MS2 COAT PROTEINS, NMR, 12 STRUCTURES
分子名称: RNA
著者Nikonowicz, E.P, Smith, J.S.
登録日1998-08-04
公開日1999-04-20
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR structure and dynamics of an RNA motif common to the spliceosome branch-point helix and the RNA-binding site for phage GA coat protein.
Biochemistry, 37, 1998
7TQW
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BU of 7tqw by Molmil
Kod RSGA incorporating PMT, n+2
分子名称: DNA polymerase, Primer, Template
著者Hajjar, M, Chim, N, Chaput, J.C.
登録日2022-01-27
公開日2022-08-31
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Crystallographic analysis of engineered polymerases synthesizing phosphonomethylthreosyl nucleic acid.
Nucleic Acids Res., 50, 2022
3VOK
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BU of 3vok by Molmil
X-ray Crystal Structure of Wild Type HrtR in the Apo Form with the Target DNA.
分子名称: 5'-D(*AP*TP*GP*AP*CP*AP*CP*TP*GP*TP*GP*TP*CP*AP*T)-3', Transcriptional regulator
著者Sawai, H, Sugimoto, H, Shiro, Y, Aono, S.
登録日2012-01-27
公開日2012-07-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for the Transcriptional Regulation of Heme Homeostasis in Lactococcus lactis.
J.Biol.Chem., 287, 2012
3VOX
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BU of 3vox by Molmil
X-ray Crystal Structure of Wild Type HrtR in the Apo Form
分子名称: Transcriptional regulator
著者Sawai, H, Sugimoto, H, Shiro, Y, Aono, S.
登録日2012-02-23
公開日2012-07-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural Basis for the Transcriptional Regulation of Heme Homeostasis in Lactococcus lactis.
J.Biol.Chem., 287, 2012
7SCR
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BU of 7scr by Molmil
Crystal structure of trypanosome brucei hypoxanthine-guanine-xanthine phosphoribzosyltransferase in complex with (4S,7S)-7-hydroxy-4-((guanin-9-yl)methyl)-2,5-dioxaheptan-1,7-diphosphonate
分子名称: ({(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2S)-2-hydroxy-2-phosphonoethoxy]propoxy}methyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase
著者Guddat, L.W, Keough, D.T.
登録日2021-09-29
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.12068486 Å)
主引用文献Stereo-Defined Acyclic Nucleoside Phosphonates are Selective and Potent Inhibitors of Parasite 6-Oxopurine Phosphoribosyltransferases.
J.Med.Chem., 65, 2022
2GCL
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BU of 2gcl by Molmil
Structure of the Pob3 Middle domain
分子名称: CHLORIDE ION, Hypothetical 63.0 kDa protein in DAK1-ORC1 intergenic region
著者VanDemark, A.P.
登録日2006-03-14
公開日2006-05-23
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献The Structure of the yFACT Pob3-M Domain, Its Interaction with the DNA Replication Factor RPA, and a Potential Role in Nucleosome Deposition.
Mol.Cell, 22, 2006
3VP5
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BU of 3vp5 by Molmil
X-ray Crystal Structure of Wild Type HrtR in the Holo Form
分子名称: CACODYLATE ION, PROTOPORPHYRIN IX CONTAINING FE, Transcriptional regulator
著者Sawai, H, Sugimoto, H, Shiro, Y, Aono, S.
登録日2012-02-23
公開日2012-07-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Basis for the Transcriptional Regulation of Heme Homeostasis in Lactococcus lactis.
J.Biol.Chem., 287, 2012
6A1Q
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BU of 6a1q by Molmil
Crystal structures of disordered Z-type helices
分子名称: DNA (5'-D(P*CP*AP*CP*A)-3'), DNA (5'-D(P*TP*GP*TP*G)-3')
著者Karthik, S, Mandal, P.K, Thirugnanasambandam, A, Gautham, N.
登録日2018-06-07
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Crystal structures of disordered Z-type helices.
Nucleosides Nucleotides Nucleic Acids, 38, 2019
2GCJ
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BU of 2gcj by Molmil
Crystal Structure of the Pob3 middle domain
分子名称: Hypothetical 63.0 kDa protein in DAK1-ORC1 intergenic region
著者VanDemark, A.P.
登録日2006-03-14
公開日2006-05-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The Structure of the yFACT Pob3-M Domain, Its Interaction with the DNA Replication Factor RPA, and a Potential Role in Nucleosome Deposition.
Mol.Cell, 22, 2006
2HMJ
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BU of 2hmj by Molmil
Crystal Structure of the Naphthalene 1,2-Dioxygenase Phe-352-Val Mutant.
分子名称: 1,2-ETHANEDIOL, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Ferraro, D.J, Okerlund, A.L, Mowers, J.C, Ramaswamy, S.
登録日2006-07-11
公開日2006-10-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis for regioselectivity and stereoselectivity of product formation by naphthalene 1,2-dioxygenase.
J.Bacteriol., 188, 2006
2HML
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BU of 2hml by Molmil
Crystal Structure of the Naphthalene 1,2-Dioxygenase F352V Mutant Bound to Phenanthrene.
分子名称: 1,2-ETHANEDIOL, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Ferraro, D.J, Okerlund, A.L, Mowers, J.C, Ramaswamy, S.
登録日2006-07-11
公開日2006-10-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for regioselectivity and stereoselectivity of product formation by naphthalene 1,2-dioxygenase.
J.Bacteriol., 188, 2006
2HMO
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BU of 2hmo by Molmil
Crystal Structure of Naphthalene 1,2-Dioxygenase Bound to 3-Nitrotoluene.
分子名称: 1,2-ETHANEDIOL, 3-NITROTOLUENE, FE (III) ION, ...
著者Ferraro, D.J, Okerlund, A.L, Mowers, J.C, Ramaswamy, S.
登録日2006-07-11
公開日2006-10-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis for regioselectivity and stereoselectivity of product formation by naphthalene 1,2-dioxygenase.
J.Bacteriol., 188, 2006

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