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4NEJ
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BU of 4nej by Molmil
Small molecular fragment bound to crystal contact interface of Interleukin-2
分子名称: 5-methylfuran-2-carboxylic acid, Interleukin-2
著者Brenke, R, Jehle, S, Vajda, S, Allen, K.N, Kozakov, D.
登録日2013-10-29
公開日2014-11-19
実験手法X-RAY DIFFRACTION (1.919 Å)
主引用文献Small molecular fragments bound to binding energy hot-spot in crystal contact interface of Interleukin-2
To be Published
5BOM
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BU of 5bom by Molmil
DNA polymerase beta binary complex with a templating 5ClC
分子名称: DNA (5'-D(*CP*CP*GP*AP*CP*(4U3)P*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
著者Freudenthal, B.D, Wilson, S.H.
登録日2015-05-27
公開日2015-08-19
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.0002 Å)
主引用文献Intrinsic mutagenic properties of 5-chlorocytosine: A mechanistic connection between chronic inflammation and cancer.
Proc.Natl.Acad.Sci.USA, 112, 2015
5BOY
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BU of 5boy by Molmil
X-RAY Co-structure of MMP-13 with ethyl 5-(1-methyl-1H-imidazol-5-yl)-1H-indole-2-Carboxylate
分子名称: CALCIUM ION, Collagenase 3, ZINC ION, ...
著者Farrow, N.A.
登録日2015-05-27
公開日2015-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
4RB3
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BU of 4rb3 by Molmil
Crystal structure of Magnetospirillum gryphiswaldense MSR-1 Fur-Mn2+-feoAB1 operator
分子名称: DNA (25-MER), DNA-binding transcriptional dual regulator of siderophore biosynthesis and transport(Fur family), MANGANESE (II) ION, ...
著者Deng, Z, Chen, Z.
登録日2014-09-12
公開日2015-07-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Mechanistic insights into metal ion activation and operator recognition by the ferric uptake regulator.
Nat Commun, 6
4NFG
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BU of 4nfg by Molmil
K13R mutant of horse cytochrome c and yeast cytochrome c peroxidase complex
分子名称: Cytochrome c, Cytochrome c peroxidase, mitochondrial, ...
著者Meulenbroek, E.M, Bashir, Q, Ubbink, M, Pannu, N.S.
登録日2013-10-31
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Engineering specificity in a dynamic protein complex with a single conserved mutation.
Febs J., 281, 2014
4NGE
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BU of 4nge by Molmil
Crystal Structure of Human Presequence Protease in Complex with Amyloid-beta (1-40)
分子名称: ACETATE ION, Beta-amyloid protein 40, GLYCEROL, ...
著者King, J.V, Liang, W.G, Tang, W.J.
登録日2013-11-01
公開日2014-05-14
最終更新日2014-07-23
実験手法X-RAY DIFFRACTION (2.704 Å)
主引用文献Molecular basis of substrate recognition and degradation by human presequence protease.
Structure, 22, 2014
4NIX
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BU of 4nix by Molmil
Crystal structure of trypsiligase (K60E/N143H/Y151H/D189K trypsin) orthorhombic form, zinc-bound
分子名称: CALCIUM ION, Cationic trypsin, GLYCEROL, ...
著者Schoepfel, M, Parthier, C, Stubbs, M.T.
登録日2013-11-08
公開日2014-02-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献N-terminal protein modification by substrate-activated reverse proteolysis.
Angew.Chem.Int.Ed.Engl., 53, 2014
6CUT
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BU of 6cut by Molmil
Engineered Holo TrpB from Pyrococcus furiosus, PfTrpB7E6 with (2S,3S)-isopropylserine bound as the external aldimine
分子名称: (2S,3S)-3-hydroxy-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-methylpentanoic acid (non-preferred name), SODIUM ION, Tryptophan synthase beta chain 1
著者Boville, C.E, Scheele, R.A, Buller, A.R, Arnold, F.H.
登録日2018-03-26
公開日2018-09-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Engineered Biosynthesis of beta-Alkyl Tryptophan Analogues.
Angew. Chem. Int. Ed. Engl., 57, 2018
5BRV
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BU of 5brv by Molmil
Catalytic Improvement of an Artificial Metalloenzyme by Computational Design
分子名称: Carbonic anhydrase 2, ZINC ION, pentamethylcyclopentadienyl iridium [N-benzensulfonamide-(2-pyridylmethyl-4-benzensulfonamide)amin] chloride
著者Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R.
登録日2015-06-01
公開日2015-06-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design.
J.Am.Chem.Soc., 137, 2015
5VJE
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BU of 5vje by Molmil
Class II fructose-1,6-bisphosphate aldolase of Escherichia coli with D-glucitol 1,6-bisphosphate
分子名称: D-Glucitol-1,6-bisphosphate, Fructose-bisphosphate aldolase class 2, SODIUM ION
著者Coincon, M, Sygusch, J.
登録日2017-04-19
公開日2018-04-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Active site remodeling during the catalytic cycle in metal-dependent fructose-1,6-bisphosphate aldolases.
J. Biol. Chem., 293, 2018
3U9H
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BU of 3u9h by Molmil
Complex structure of human tankyrase 2 with nicotinamide
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, NICOTINAMIDE, ...
著者Narwal, M, Lehtio, L.
登録日2011-10-19
公開日2011-11-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis of selective inhibition of human tankyrases.
J.Med.Chem., 55, 2012
5W4U
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BU of 5w4u by Molmil
Pol II elongation complex with an N6-methyladenine-containing template
分子名称: 14mer non-template DNA, 29mer template DNA, 9mer RNA, ...
著者Wang, W, Wang, D.
登録日2017-06-13
公開日2018-06-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Epigenetic DNA Modification N6-Methyladenine Causes Site-Specific RNA Polymerase II Transcriptional Pausing.
J.Am.Chem.Soc., 139, 2017
5W6Q
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BU of 5w6q by Molmil
Structural basis for recognition of artificial DNA by an evolved KlenTaq variant
分子名称: DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(1W5))-3'), DNA (5'-D(P*GP*(1WA)P*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), DNA polymerase I, ...
著者Singh, I, Georgiadis, M.M.
登録日2017-06-16
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Snapshots of an evolved DNA polymerase pre- and post-incorporation of an unnatural nucleotide.
Nucleic Acids Res., 46, 2018
6CG0
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BU of 6cg0 by Molmil
Cryo-EM structure of mouse RAG1/2 HFC complex (3.17 A)
分子名称: CALCIUM ION, DNA (30-MER), DNA (41-MER), ...
著者Chen, X, Kim, M, Chuenchor, W, Cui, Y, Zhang, X, Zhou, Z.H, Gellert, M, Yang, W.
登録日2018-02-19
公開日2018-04-25
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Cracking the DNA Code for V(D)J Recombination.
Mol. Cell, 70, 2018
5YV1
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BU of 5yv1 by Molmil
DNA polymerase IV - DNA ternary complex 13
分子名称: DIPHOSPHATE, DNA polymerase IV, DTN1, ...
著者Kottur, J, Nair, D.T.
登録日2017-11-23
公開日2018-09-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Pyrophosphate hydrolysis is an intrinsic and critical step of the DNA synthesis reaction
Nucleic Acids Res., 46, 2018
5YW5
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BU of 5yw5 by Molmil
Crystal structure of Adenine phosphoribosyltransferase from Francisella tularensis in complex with adenine
分子名称: ADENINE, Adenine phosphoribosyltransferase
著者Pavithra, G.C, Ramagopal, U.A.
登録日2017-11-28
公開日2018-01-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of APRT from Francisella tularensis - an N-H···N hydrogen bond imparts adenine specificity in adenine phosporibosyltransferases.
FEBS J., 285, 2018
4NZ7
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BU of 4nz7 by Molmil
Steroid receptor RNA Activator (SRA) modification by the human Pseudouridine Synthase 1 (hPus1p): RNA binding, activity, and atomic model
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, TRIETHYLENE GLYCOL, tRNA pseudouridine synthase A, ...
著者Huet, T, Thore, S.
登録日2013-12-11
公開日2014-05-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Steroid Receptor RNA Activator (SRA) Modification by the Human Pseudouridine Synthase 1 (hPus1p): RNA Binding, Activity, and Atomic Model
Plos One, 9, 2014
4QUO
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BU of 4quo by Molmil
Crystal structure of Aminopeptidase N in complex with the phosphinic dipeptide analogue LL-(R,S)-hPheP[CH2]Phe(3-CH2NH2)
分子名称: (2S)-2-[3-(aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid, Aminopeptidase N, GLYCEROL, ...
著者Nocek, B, Mulligan, R, Joachimiak, A, Vassiliou, S, Berlicki, L, Mucha, A.
登録日2014-07-11
公開日2014-09-10
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-guided, single-point modifications in the phosphinic dipeptide structure yield highly potent and selective inhibitors of neutral aminopeptidases.
J.Med.Chem., 57, 2014
4NQ0
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BU of 4nq0 by Molmil
Structural insights into yeast histone chaperone Hif1: a scaffold protein recruiting protein complexes to core histones
分子名称: HAT1-interacting factor 1
著者Liu, H, Zhang, M, He, W, Zhu, Z, Teng, M, Gao, Y, Niu, L.
登録日2013-11-23
公開日2014-07-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insights into yeast histone chaperone Hif1: a scaffold protein recruiting protein complexes to core histones
Biochem.J., 462, 2014
5ALS
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BU of 5als by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: BIFUNCTIONAL EPOXIDE HYDROLASE 2, N-CYCLOPENTYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-3H-IMIDAZO[4,5-B]PYRIDINE-7-SULFONAMIDE, SULFATE ION
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-08
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
6D0A
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BU of 6d0a by Molmil
Crystal structure of Kynurenine Aminotransferase-II in apo-form, at 1.47 A resolution
分子名称: Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial
著者Jayawickrama, G.S, Sun, G, Nematollahi, A, Church, W.B.
登録日2018-04-10
公開日2018-05-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.46809423 Å)
主引用文献Crystal structure of Kynurenine Aminotransferase-II in apo-form
To Be Published
5ZOC
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BU of 5zoc by Molmil
Crystal structure of APRT from Y. pseudotuberculosis with bound adenine (C2 space group).
分子名称: ADENINE, Adenine phosphoribosyltransferase, SODIUM ION
著者Pavithra, G.C, Ramagopal, U.A.
登録日2018-04-12
公開日2019-04-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystal structure of APRT from Y. pseudotuberculosis with bound adenine (C2 space group).
To be published
3TJG
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BU of 3tjg by Molmil
Crystal Structure of human peroxiredoxin IV C51A mutant in oxidized form
分子名称: Peroxiredoxin-4
著者Cao, Z, Tavender, T.J, Roszak, A.W, Cogdell, R.J, Bulleid, N.J.
登録日2011-08-24
公開日2011-10-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Crystal Structure of Reduced and of Oxidized Peroxiredoxin IV Enzyme Reveals a Stable Oxidized Decamer and a Non-disulfide-bonded Intermediate in the Catalytic Cycle.
J.Biol.Chem., 286, 2011
4KVJ
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BU of 4kvj by Molmil
Crystal structure of Oryza sativa fatty acid alpha-dioxygenase with hydrogen peroxide
分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CALCIUM ION, CHLORIDE ION, ...
著者Zhu, G, Koszelak-Rosenblum, M, Malkowski, M.G.
登録日2013-05-22
公開日2013-08-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Crystal structures of alpha-dioxygenase from Oryza sativa: Insights into substrate binding and activation by hydrogen peroxide.
Protein Sci., 22, 2013
6CN7
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BU of 6cn7 by Molmil
The structure of aerobactin synthetase IucC from a hypervirulent pathotype of Klebsiella pneumoniae
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Aerobactin synthase IucC
著者Bailey, D.C, Rice, M.R, Gulick, A.M.
登録日2018-03-07
公開日2018-04-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural and functional delineation of aerobactin biosynthesis in hypervirulentKlebsiella pneumoniae.
J. Biol. Chem., 293, 2018

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