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2HSY
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BU of 2hsy by Molmil
Solution structure of Thioredoxin 2 from Saccharomyces cerevisiae
分子名称: Thioredoxin II
著者Amorim, G.C, Valente, A.P, Almeida, F.C.L.
登録日2006-07-24
公開日2007-03-20
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献NMR solution structure of the reduced form of thioredoxin 2 from Saccharomyces cerevisiae
J.Biomol.Nmr, 38, 2007
2HOT
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BU of 2hot by Molmil
Phage selected homeodomain bound to modified DNA
分子名称: 3-PROP-2-YN-1-YL-1,3-OXAZOLIDIN-2-ONE, 5'-D(*AP*TP*CP*CP*GP*GP*GP*GP*AP*TP*TP*AP*CP*AP*TP*GP*GP*CP*AP*AP*A)-3', 5'-D(*TP*TP*TP*TP*GP*CP*CP*AP*TP*GP*TP*AP*AP*TP*CP*CP*CP*CP*GP*GP*A)-3', ...
著者Feldman, M.E, Simon, M.D, Shokat, K.M.
登録日2006-07-16
公開日2006-12-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structure and properties of a re-engineered homeodomain protein-DNA interface.
Acs Chem.Biol., 1, 2006
2HS6
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Crystal structure of the E291K mutant of 12-oxophytodienoate reductase 3 (OPR3) from tomato
分子名称: 12-oxophytodienoate reductase 3, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN MONONUCLEOTIDE
著者Breithaupt, C, Clausen, T, Huber, R.
登録日2006-07-21
公開日2006-09-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of 12-oxophytodienoate reductase 3 from tomato: Self-inhibition by dimerization.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2HOC
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BU of 2hoc by Molmil
Crystal structure of the human carbonic anhydrase II in complex with the 5-(4-amino-3-chloro-5-fluorophenylsulfonamido)-1,3,4-thiadiazole-2-sulfonamide inhibitor
分子名称: 5-{[(4-AMINO-3-CHLORO-5-FLUOROPHENYL)SULFONYL]AMINO}-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, GLYCEROL, ...
著者Menchise, V, Di Fiore, A, De Simone, G.
登録日2006-07-14
公開日2006-10-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of 5-amino-1,3,4-thiadiazole-2-sulfonamide and 5-(4-amino-3-chloro-5-fluorophenylsulfonamido)-1,3,4-thiadiazole-2-sulfonamide to human isoform II.
Bioorg.Med.Chem.Lett., 16, 2006
2HPU
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BU of 2hpu by Molmil
Solution NMR structure of the apo-NosL protein from Achromobacter cycloclastes
分子名称: NosL protein
著者Taubner, L.M, McGuirl, M.A, Dooley, D.M, Copie, V.
登録日2006-07-17
公開日2006-10-24
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structural Studies of Apo Nosl, an Accessory Protein of the Nitrous Oxide Reductase System: Insights from Structural Homology with MerB, a Mercury Resistance Protein.
Biochemistry, 45, 2006
2HS8
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BU of 2hs8 by Molmil
Crystal structure of the Y364F mutant of 12-oxophytodienoate reductase 3 from tomato
分子名称: 12-oxophytodienoate reductase 3, FLAVIN MONONUCLEOTIDE
著者Breithaupt, C, Clausen, T, Huber, R.
登録日2006-07-21
公開日2006-09-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of 12-oxophytodienoate reductase 3 from tomato: Self-inhibition by dimerization.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2HU9
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BU of 2hu9 by Molmil
X-ray structure of the Archaeoglobus fulgidus CopZ N-terminal Domain
分子名称: ACETIC ACID, FE2/S2 (INORGANIC) CLUSTER, Mercuric transport protein periplasmic component, ...
著者Sazinsky, M.H, LeMoine, B, Arguello, J.M, Rosenzweig, A.C.
登録日2006-07-26
公開日2007-07-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Characterization and structure of a Zn2+ and [2Fe-2S]-containing copper chaperone from Archaeoglobus fulgidus.
J.Biol.Chem., 282, 2007
2HV5
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BU of 2hv5 by Molmil
Human Aldose Reductase complexed with inhibitor zopolrestat after three days soaking (3days_soaked_3)
分子名称: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Steuber, H, Heine, A, Klebe, G.
登録日2006-07-27
公開日2006-10-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Expect the unexpected or caveat for drug designers: multiple structure determinations using aldose reductase crystals treated under varying soaking and co-crystallisation conditions.
J.Mol.Biol., 363, 2006
2HVN
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BU of 2hvn by Molmil
Human Aldose Reductase-zopolrestat complex obtained by cocrystallisation after one day (1day_cocryst)
分子名称: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Steuber, H, Heine, A, Klebe, G.
登録日2006-07-29
公開日2006-10-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Expect the unexpected or caveat for drug designers: multiple structure determinations using aldose reductase crystals treated under varying soaking and co-crystallisation conditions.
J.Mol.Biol., 363, 2006
2HVO
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BU of 2hvo by Molmil
Human Aldose Reductase-zopolrestat complex obtained by cocrystallisation (10days_cocryst)
分子名称: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Steuber, H, Heine, A, Klebe, G.
登録日2006-07-29
公開日2006-10-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Expect the unexpected or caveat for drug designers: multiple structure determinations using aldose reductase crystals treated under varying soaking and co-crystallisation conditions.
J.Mol.Biol., 363, 2006
2I17
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BU of 2i17 by Molmil
Human aldose reductase in complex with NADP+ and the inhibitor IDD594 at temperature of 60K
分子名称: Aldose reductase, CITRIC ACID, IDD594, ...
著者Petrova, T, Ginell, S, Mitshler, A, Hasemann, I, Schneider, T, Cousido, A, Lunin, V.Y, Joachimiak, A, Podjarny, A.
登録日2006-08-13
公開日2006-08-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.81 Å)
主引用文献Ultrahigh-resolution study of protein atomic displacement parameters at cryotemperatures obtained with a helium cryostat.
Acta Crystallogr.,Sect.D, 62, 2006
2I67
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BU of 2i67 by Molmil
Structural Basis for the Mechanistic Understanding Human CD38 Controlled Multiple Catalysis
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribosyl cyclase 1
著者Liu, Q, Kriksunov, I.A, Graeff, R, Munshi, C, Lee, H.C, Hao, Q.
登録日2006-08-28
公開日2006-09-05
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structural basis for the mechanistic understanding of human CD38-controlled multiple catalysis.
J.Biol.Chem., 281, 2006
2HXT
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BU of 2hxt by Molmil
Crystal structure of L-Fuconate Dehydratase from Xanthomonas campestris liganded with Mg++ and D-erythronohydroxamate
分子名称: (2R,3R)-N,2,3,4-TETRAHYDROXYBUTANAMIDE, L-fuconate dehydratase, MAGNESIUM ION
著者Fedorov, A.A, Fedorov, E.V, Yew, W.S, Rakus, J.F, Gerlt, J.A, Almo, S.C.
登録日2006-08-03
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Evolution of Enzymatic Activities in the Enolase Superfamily: l-Fuconate Dehydratase from Xanthomonas campestris.
Biochemistry, 45, 2006
2I0M
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BU of 2i0m by Molmil
Crystal structure of the phosphate transport system regulatory protein PhoU from Streptococcus pneumoniae
分子名称: Phosphate transport system protein phoU, ZINC ION
著者Zhang, R, Li, H, Abdullah, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2006-08-10
公開日2006-09-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the phosphate transport system regulatory protein PhoU from Streptococcus pneumoniae
To be Published, 2006
2I16
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BU of 2i16 by Molmil
Human aldose reductase in complex with NADP+ and the inhibitor IDD594 at temperature of 15K
分子名称: Aldose reductase, CITRIC ACID, IDD594, ...
著者Petrova, T, Ginell, S, Mitshler, A, Hasemann, I, Schneider, T, Cousido, A, Lunin, V.Y, Joachimiak, A, Podjarny, A.
登録日2006-08-13
公開日2006-08-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.81 Å)
主引用文献Ultrahigh-resolution study of protein atomic displacement parameters at cryotemperatures obtained with a helium cryostat.
Acta Crystallogr.,Sect.D, 62, 2006
2I3E
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BU of 2i3e by Molmil
Solution structure of catalytic domain of goldfish RICH protein
分子名称: G-RICH
著者Denisov, A.Y, Kozlov, G, Gehring, K.
登録日2006-08-18
公開日2007-03-06
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the catalytic domain of RICH protein from goldfish.
Febs J., 274, 2007
2HYG
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BU of 2hyg by Molmil
The Structure of apo-MntR from Bacillus subtilis, Native Form
分子名称: Transcriptional regulator mntR
著者Glasfeld, A, Kliegman, J.I.
登録日2006-08-06
公開日2006-11-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The conformations of the manganese transport regulator of Bacillus subtilis in its metal-free state.
J.Mol.Biol., 365, 2007
7P47
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BU of 7p47 by Molmil
Structure of the E3 ligase Smc5/Nse2 in complex with Ubc9-SUMO thioester mimetic
分子名称: E3 SUMO-protein ligase MMS21, SUMO-conjugating enzyme UBC9, Structural maintenance of chromosomes protein 5, ...
著者Lascorz, J, Varejao, N, Reverter, D.
登録日2021-07-09
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.314 Å)
主引用文献Structural basis for the E3 ligase activity enhancement of yeast Nse2 by SUMO-interacting motifs.
Nat Commun, 12, 2021
4PHA
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BU of 4pha by Molmil
Structure of human DNA polymerase beta complexed with A in the template base paired with incoming non-hydrolyzable CTP
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*CP*CP*GP*AP*CP*AP*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ...
著者Koag, M.C, Lee, S.
登録日2014-05-05
公開日2014-09-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献The spontaneous replication error and the mismatch discrimination mechanisms of human DNA polymerase beta.
Nucleic Acids Res., 42, 2015
6BLP
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BU of 6blp by Molmil
Pol II elongation complex with an abasic lesion at i+1 position, soaking AMPCPP
分子名称: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, DNA (5'-D(P*AP*(3DR)P*CP*TP*CP*TP*CP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
著者Wang, W, Wang, D.
登録日2017-11-11
公開日2018-02-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.203 Å)
主引用文献Structural basis of transcriptional stalling and bypass of abasic DNA lesion by RNA polymerase II.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7P5K
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BU of 7p5k by Molmil
Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction
分子名称: 5-cyclopropyl-1-[3-[2-fluoranyl-3-[(2~{R})-2-propylpiperidin-1-yl]carbonyl-phenyl]phenyl]pyrazole-4-carboxylic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1
著者Davies, T.G.
登録日2021-07-14
公開日2021-11-17
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction.
J.Med.Chem., 64, 2021
4Z0Q
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BU of 4z0q by Molmil
Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV)
分子名称: 4-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Brynda, J, Pospisilova, K, Rezacova, P, Pachl, P.
登録日2015-03-26
公開日2015-08-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms.
Eur.J.Med.Chem., 102, 2015
6BOR
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BU of 6bor by Molmil
Human APE1 substrate complex with an G/G mismatch adjacent the THF
分子名称: 1,2-ETHANEDIOL, 21-mer DNA, CHLORIDE ION, ...
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 (1.84 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
6TX4
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BU of 6tx4 by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 2-PYRIDONE
分子名称: 1~{H}-pyridin-2-one, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP5, ...
著者Fiegen, D, Draxler, S.W.
登録日2020-01-13
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
4Z1J
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BU of 4z1j by Molmil
Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV)
分子名称: 4-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Brynda, J, Pospisilova, K, Rezacova, P, Pachl, P.
登録日2015-03-27
公開日2015-08-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms.
Eur.J.Med.Chem., 102, 2015

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