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5BZU
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BU of 5bzu by Molmil
Crystal structure of the RNA-binding domain of yeast Puf5p bound to AAT2 RNA
分子名称: Suppressor protein MPT5, UGUAAUA
著者Qiu, C, Hall, T.M.T.
登録日2015-06-11
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献RNA regulatory networks diversified through curvature of the PUF protein scaffold.
Nat Commun, 6, 2015
5DFP
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BU of 5dfp by Molmil
Crystal structure of PAK1 in complex with an inhibitor compound FRAX1036
分子名称: 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-{[2-(1-methylpiperidin-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, DIMETHYL SULFOXIDE, Serine/threonine-protein kinase PAK 1
著者Maksimoska, J, Marmorstein, R, Wang, W.
登録日2015-08-27
公開日2016-01-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety.
Acs Med.Chem.Lett., 6, 2015
5DG0
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BU of 5dg0 by Molmil
Human APE1 phosphorothioate substrate complex with Mn2+
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(OMC)P*(48Z)P*CP*GP*AP*CP*GP*GP*AP*TP*CP*C)-3'), ...
著者Freudenthal, B.D, Wilson, S.H.
登録日2015-08-27
公開日2015-10-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Capturing snapshots of APE1 processing DNA damage.
Nat.Struct.Mol.Biol., 22, 2015
7BVZ
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BU of 7bvz by Molmil
Crystal structure of MreB5 of Spiroplasma citri bound to ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Cell shape determining protein MreB, MAGNESIUM ION, ...
著者Pande, V, Bagde, S.R, Gayathri, P.
登録日2020-04-12
公開日2020-10-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献MreB5 Is a Determinant of Rod-to-Helical Transition in the Cell-Wall-less Bacterium Spiroplasma.
Curr.Biol., 30, 2020
4XV0
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BU of 4xv0 by Molmil
Crystal structure of an endo-beta-1,4-xylanase (glycoside hydrolase family 10/GH10) enzyme from Trichoderma reesei
分子名称: Beta-xylanase, CHLORIDE ION, GLYCEROL, ...
著者Stogios, P.J, Xu, X, Cui, H, Savchenko, A.
登録日2015-01-26
公開日2015-02-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9697 Å)
主引用文献Crystal structure of an endo-beta-1,4-xylanase (glycoside hydrolase family 10/GH10) enzyme from Trichoderma reesei
To Be Published
4XHM
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BU of 4xhm by Molmil
Archaeoglobus fulgidus thioredoxin 3 M60H
分子名称: Thioredoxin (Trx-3)
著者Dey, M, Bjork, R.E, Drennan, C.L.
登録日2015-01-05
公開日2015-04-29
最終更新日2019-11-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Rheostat Re-Wired: Alternative Hypotheses for the Control of Thioredoxin Reduction Potentials.
Plos One, 10
7A14
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BU of 7a14 by Molmil
CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GSK2218325A (COMPOUND 32)
分子名称: 5-chloranyl-6-fluoranyl-3-(2-propan-2-yloxyphenyl)-1~{H}-indole-2-carboxamide, MANGANESE (II) ION, Methionine aminopeptidase 2, ...
著者Thorpe, J.H.
登録日2020-08-11
公開日2020-09-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Structure-based optimisation of orally active & reversible MetAP-2 inhibitors maintaining a tight 'molecular budget'.
Bioorg.Med.Chem.Lett., 30, 2020
4Y23
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BU of 4y23 by Molmil
Crystal structure of T399A precursor mutant protein of gamma-glutamyl transpeptidase from Bacillus licheniformis
分子名称: Gamma glutamyl transpeptidase,Gamma-glutamyltranspeptidase, SODIUM ION
著者Pica, A, Merlino, A.
登録日2015-02-09
公開日2015-11-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献The maturation mechanism of gamma-glutamyl transpeptidases: Insights from the crystal structure of a precursor mimic of the enzyme from Bacillus licheniformis and from site-directed mutagenesis studies.
Biochim.Biophys.Acta, 1864, 2015
5DFI
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BU of 5dfi by Molmil
Human APE1 phosphorothioate substrate complex
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(OMC)P*(48Z)P*CP*GP*AP*CP*GP*GP*AP*TP*CP*C)-3'), ...
著者Freudenthal, B.D, Wilson, S.H.
登録日2015-08-26
公開日2015-10-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Capturing snapshots of APE1 processing DNA damage.
Nat.Struct.Mol.Biol., 22, 2015
8AGA
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BU of 8aga by Molmil
Structure of p-hydroxy benzoic acid ligand bound HosA transcriptional regulator from enteropathogenic Escherichia coli O127:H6 (strain E2348/69)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, P-HYDROXYBENZOIC ACID, ...
著者Goswami, A, Kannika, B.R, Madan Kumar, S.
登録日2022-07-19
公開日2023-08-02
最終更新日2024-08-21
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Horizontally acquired HosA transcription factor bound with 4-hydroxy-benzoic acid exhibits unique tug-of-water dynamics
Biorxiv, 2024
4XXO
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BU of 4xxo by Molmil
Crystal Structure of Human APOBEC3A
分子名称: CHLORIDE ION, DNA dC->dU-editing enzyme APOBEC-3A, ZINC ION
著者Bohn, M.F, Shandilya, S.M.D, Schiffer, C.A.
登録日2015-01-30
公開日2015-04-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.843 Å)
主引用文献The ssDNA Mutator APOBEC3A Is Regulated by Cooperative Dimerization.
Structure, 23, 2015
5EC9
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BU of 5ec9 by Molmil
Retinoic acid receptor alpha in complex with chiral dihydrobenzofuran benzoic acid 9a and a fragment of the coactivator TIF2
分子名称: 4-[(11S,15R)-4,4,7,7-Tetramethyl-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,8-trien-11-yl]benzoic acid, LYS-HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP, Retinoic acid receptor RXR-alpha
著者Leysen, S, Ottmann, C, Schafer, A, Scheepstra, M, Brunsveld, L, Sunden, R, Ma, J.N, Burnstein, E.S, Olsson, R.
登録日2015-10-20
公開日2016-03-09
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Chiral Dihydrobenzofuran Acids Show Potent Retinoid X Receptor-Nuclear Receptor Related 1 Protein Dimer Activation.
J.Med.Chem., 59, 2016
4XDW
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BU of 4xdw by Molmil
Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH
分子名称: Limonene-1,2-epoxide hydrolase
著者Kong, X.D, Sun, Z, Lonsdale, R, Xu, J.H, Reetz, M.T, Zhou, J.
登録日2014-12-20
公開日2015-07-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution
Angew.Chem.Int.Ed.Engl., 54, 2015
6BIM
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BU of 6bim by Molmil
Structure of NlpC1 from Trichomonas vaginalis
分子名称: Clan CA, family C40, NlpC/P60 superfamily cysteine peptidase
著者Pinheiro, J, Simoes-Barbosa, A, Goldstone, D.C.
登録日2017-11-02
公開日2018-11-07
最終更新日2019-05-29
実験手法X-RAY DIFFRACTION (1.547 Å)
主引用文献The ProtozoanTrichomonas vaginalisTargets Bacteria with Laterally Acquired NlpC/P60 Peptidoglycan Hydrolases.
Mbio, 9, 2018
6ZSQ
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BU of 6zsq by Molmil
Crystal structure of the Cisplatin beta-Lactoglobulin adduct formed after 18 h of soaking
分子名称: AMMONIA, Beta-lactoglobulin, PLATINUM (II) ION, ...
著者Balasco, N, Ferraro, G, Merlino, A.
登録日2020-07-16
公開日2020-09-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献Cisplatin binding to beta-lactoglobulin: a structural study.
Dalton Trans, 49, 2020
6ZSR
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BU of 6zsr by Molmil
Crystal structure of the Cisplatin beta-Lactoglobulin adduct formed after 72 h of soaking
分子名称: AMMONIA, Beta-lactoglobulin, PLATINUM (II) ION, ...
著者Balasco, N, Ferraro, G, Merlino, A.
登録日2020-07-16
公開日2020-09-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.005 Å)
主引用文献Cisplatin binding to beta-lactoglobulin: a structural study.
Dalton Trans, 49, 2020
4Y1L
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BU of 4y1l by Molmil
Ubc9 Homodimer The Missing Link in Poly-SUMO Chain Formation
分子名称: RWD domain-containing protein 3, SUMO-conjugating enzyme UBC9
著者Aileen, Y.A, Ambaye, N.D, Li, Y.J, Vega, R, Bzymek, K, Williams, J.C, Hu, W, Chen, Y.
登録日2015-02-08
公開日2015-05-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献RWD Domain as an E2 (Ubc9)-Interaction Module.
J.Biol.Chem., 290, 2015
4XJA
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BU of 4xja by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 5-acetamido-2,3-difluoro-3-hydroxy-6-[1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
分子名称: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, (2R,3R,4R,5R,6R)-5-acetamido-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Brear, P.
登録日2015-01-08
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
6BNR
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BU of 6bnr by Molmil
Carbonmonoxy hemoglobin in complex with the antisickling agent 5-methoxy-2-(pyridin-2-ylmethoxy)benzaldehyde (INN310)
分子名称: 2-[(4-methoxy-2-methylphenoxy)methyl]pyridine, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
著者Pagare, P.P, Musayev, F.N, Safo, M.K.
登録日2017-11-17
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Rational design of pyridyl derivatives of vanillin for the treatment of sickle cell disease.
Bioorg. Med. Chem., 26, 2018
4Y3B
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BU of 4y3b by Molmil
Crystal structure of C-terminal modified Tau peptide-hybrid 201D with 14-3-3sigma
分子名称: (2S)-2-(2-methoxyethyl)pyrrolidine, 14-3-3 protein sigma, ARG-THR-PRO-SEP-LEU-PRO-THR-[H][C@@]1(C(C2=CC=CC=C2)C3=CC=CC=C3)CCCN1C
著者Bartel, M, Milroy, L.G, Brunsveld, L, Ottmann, C.
登録日2015-02-10
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Stabilizer-Guided Inhibition of Protein-Protein Interactions.
Angew.Chem.Int.Ed.Engl., 54, 2015
4XJV
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BU of 4xjv by Molmil
Crystal structure of human thioesterase 2
分子名称: CHLORIDE ION, S-acyl fatty acid synthase thioesterase, medium chain
著者Ritchie, M.K, Kridel, S.J, Lowther, W.T.
登録日2015-01-09
公開日2015-12-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure and Substrate Specificity of Human Thioesterase 2: INSIGHTS INTO THE MOLECULAR BASIS FOR THE MODULATION OF FATTY ACID SYNTHASE.
J.Biol.Chem., 291, 2016
4XIL
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BU of 4xil by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with Optactin at pH 7.4 in PBS with MPD as the cryoprotectant
分子名称: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, Sialidase B
著者Brear, P.
登録日2015-01-07
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
6BOT
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BU of 6bot by Molmil
Human APE1 substrate complex with an C/C mismatch adjacent the THF
分子名称: 1,2-ETHANEDIOL, 21-mer DNA, DNA-(apurinic or apyrimidinic site) lyase
著者Freudenthal, B.D, Whitaker, A.M, Fairlamb, M.S.
登録日2017-11-20
公開日2018-08-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Apurinic/apyrimidinic (AP) endonuclease 1 processing of AP sites with 5' mismatches.
Acta Crystallogr D Struct Biol, 74, 2018
4XM6
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BU of 4xm6 by Molmil
Anthrax toxin lethal factor with ligand-induced binding pocket
分子名称: 1,2-ETHANEDIOL, Lethal factor, N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-(2-methylpropyl)-D-valinamide, ...
著者Maize, K.M, De la Mora-Rey, T, Finzel, B.C.
登録日2015-01-14
公開日2015-11-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.352 Å)
主引用文献Ligand-induced expansion of the S1' site in the anthrax toxin lethal factor.
Febs Lett., 589, 2015
4XMA
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BU of 4xma by Molmil
Crystal structure of the K499G mutant of NanB sialidase from streptococcus pneumoniae in complex with Optactin
分子名称: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
著者Brear, P.
登録日2015-01-14
公開日2016-02-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published

224004

件を2024-08-21に公開中

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