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4XRT
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BU of 4xrt by Molmil
Crystal structure of the di-domain ARO/CYC StfQ from the steffimycin biosynthetic pathway
分子名称: FORMIC ACID, StfQ Aromatase/Cyclase
著者Tsai, S.C, Caldara-Festin, G.M, Jackson, D.R, Aguilar, S, Patel, A, Nguyen, M, Sasaki, E, Valentic, T.R, Barajas, J.F, Vo, M, Khanna, A, Liu, H.-W.
登録日2015-01-21
公開日2015-12-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.952 Å)
主引用文献Structural and functional analysis of two di-domain aromatase/cyclases from type II polyketide synthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4Y1S
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BU of 4y1s by Molmil
Structural basis for Ca2+-mediated interaction of the perforin C2 domain with lipid membranes
分子名称: CALCIUM ION, Perforin-1
著者Conroy, P.J, Yagi, H, Whisstock, J.C, Norton, R.S.
登録日2015-02-09
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.611 Å)
主引用文献Structural Basis for Ca2+-mediated Interaction of the Perforin C2 Domain with Lipid Membranes.
J.Biol.Chem., 290, 2015
4Y24
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BU of 4y24 by Molmil
Complex of human Galectin-1 and TD-139
分子名称: 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, Galectin-1
著者Lin, H.Y, Hsieh, T.J, Lin, C.H.
登録日2015-02-09
公開日2016-04-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Dual thio-digalactoside-binding modes of human galectins as the structural basis for the design of potent and selective inhibitors.
Sci Rep, 6, 2016
4XNR
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BU of 4xnr by Molmil
Vibrio Vulnificus Adenine Riboswitch Aptamer Domain, Synthesized by Position-selective Labeling of RNA (PLOR), in Complex with Adenine
分子名称: ADENINE, MAGNESIUM ION, Vibrio Vulnificus Adenine Riboswitch
著者Zhang, J, Liu, Y, Wang, Y.-X, Ferre-D'Amare, A.R.
登録日2015-01-16
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Synthesis and applications of RNAs with position-selective labelling and mosaic composition.
Nature, 522, 2015
3EM0
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BU of 3em0 by Molmil
Crystal structure of Zebrafish Ileal Bile Acid-Bindin Protein complexed with cholic acid (crystal form B).
分子名称: CHOLIC ACID, Ileal Bile Acid-Binding Protein
著者Capaldi, S, Saccomani, G, Fessas, D, Signorelli, M, Perduca, M, Monaco, H.L.
登録日2008-09-23
公開日2009-01-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The X-Ray structure of zebrafish (Danio rerio) ileal bile acid-binding protein reveals the presence of binding sites on the surface of the protein molecule.
J.Mol.Biol., 385, 2009
4HW2
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BU of 4hw2 by Molmil
Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design
分子名称: 1,2-ETHANEDIOL, 6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1, ...
著者Zhao, B.
登録日2012-11-07
公開日2013-01-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design.
J.Med.Chem., 56, 2013
4Y31
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BU of 4y31 by Molmil
Crystal structure of yellow lupine LlPR-10.1A protein in ligand-free form
分子名称: ACETATE ION, Protein LlR18A
著者Sliwiak, J, Michalska, K, Sikorski, M.M, Jaskolski, M.
登録日2015-02-10
公開日2015-12-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Crystallographic and CD probing of ligand-induced conformational changes in a plant PR-10 protein.
J.Struct.Biol., 193, 2016
3T1Y
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BU of 3t1y by Molmil
Structure of the Thermus thermophilus 30S ribosomal subunit complexed with a human anti-codon stem loop (HASL) of transfer RNA Lysine 3 (TRNALYS3) bound to an mRNA with an AAG-codon in the A-site and paromomycin
分子名称: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Murphy, F.V, Vendeix, F.A.P, Cantara, W, Leszczynska, G, Gustilo, E.M, Sproat, B, Malkiewicz, A.A.P, Agris, P.F.
登録日2011-07-22
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Human tRNA(Lys3)(UUU) Is Pre-Structured by Natural Modifications for Cognate and Wobble Codon Binding through Keto-Enol Tautomerism.
J.Mol.Biol., 416, 2012
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
4HW3
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BU of 4hw3 by Molmil
Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design
分子名称: 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-benzothiophene-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Zhao, B.
登録日2012-11-07
公開日2013-01-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design.
J.Med.Chem., 56, 2013
4XRW
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BU of 4xrw by Molmil
Crystal structure of the di-domain ARO/CYC BexL from the BE-7585A biosynthetic pathway
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BexL
著者Tsai, S.C, Caldara-Festin, G.M, Jackson, D.R, Aguilar, S, Patel, A, Nguyen, M, Sasaki, E, Valentic, T.R, Barajas, J.F, Vo, M, Khanna, A, Liu, H.-W.
登録日2015-01-21
公開日2015-12-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural and functional analysis of two di-domain aromatase/cyclases from type II polyketide synthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XT2
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BU of 4xt2 by Molmil
Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains in complex with a tetrazole-containing antagonist
分子名称: (5S,7R)-5,7-bis(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
著者Scheuermann, T.H, Gardner, K.H.
登録日2015-01-22
公開日2015-12-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献Isoform-Selective and Stereoselective Inhibition of Hypoxia Inducible Factor-2.
J.Med.Chem., 58, 2015
4XOL
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BU of 4xol by Molmil
Observing the overall rocking motion of a protein in a crystal - Cubic Ubiquitin crystals.
分子名称: Ubiquitin, ZINC ION
著者Coquelle, N, Peixiang, M, Schanda, P, Colletier, J.P.
登録日2015-01-16
公開日2015-10-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Observing the overall rocking motion of a protein in a crystal.
Nat Commun, 6, 2015
4Y1T
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BU of 4y1t by Molmil
Structural basis for Ca2+-mediated interaction of the perforin C2 domain with lipid membranes
分子名称: CALCIUM ION, Perforin-1
著者Conroy, P.J, Yagi, H, Whisstock, J.C, Norton, R.S.
登録日2015-02-09
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.666 Å)
主引用文献Structural Basis for Ca2+-mediated Interaction of the Perforin C2 Domain with Lipid Membranes.
J.Biol.Chem., 290, 2015
4Y32
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BU of 4y32 by Molmil
Crystal structure of C-terminal modified Tau peptide-hybrid 109B with 14-3-3sigma
分子名称: (2S)-2-(2-methoxyethyl)pyrrolidine, 14-3-3 protein sigma, ARG-THR-PRO-SEP-LEU-PRO-CNC(C(C)O)C(=O)N1CCCC1CCOC
著者Bartel, M, Milroy, L, Bier, D, 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 (1.7 Å)
主引用文献Stabilizer-Guided Inhibition of Protein-Protein Interactions.
Angew.Chem.Int.Ed.Engl., 54, 2015
4XOF
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BU of 4xof by Molmil
Observing the overall rocking motion of a protein in a crystal - Orthorhombic Ubiquitin crystals without Zinc.
分子名称: Ubiquitin
著者Coquelle, N, Ma, P, Schanda, P, Colletier, J.P.
登録日2015-01-16
公開日2015-10-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Observing the overall rocking motion of a protein in a crystal.
Nat Commun, 6, 2015
7TC3
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BU of 7tc3 by Molmil
Human APE1 in the apo form
分子名称: 1,2-ETHANEDIOL, DNA-(apurinic or apyrimidinic site) endonuclease, mitochondrial
著者Pidugu, L.S, Pozharski, E, Drohat, A.C.
登録日2021-12-22
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.252 Å)
主引用文献Characterizing inhibitors of human AP endonuclease 1.
Plos One, 18, 2023
7TC2
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BU of 7tc2 by Molmil
Human APE1 in complex with 5-nitroindole-2-carboxylic acid
分子名称: 1,2-ETHANEDIOL, 5-nitro-1H-indole-2-carboxylic acid, DI(HYDROXYETHYL)ETHER, ...
著者Pidugu, L.S, Pozharski, E, Drohat, A.C.
登録日2021-12-22
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Characterizing inhibitors of human AP endonuclease 1.
Plos One, 18, 2023
3T1H
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BU of 3t1h by Molmil
Structure of the Thermus thermophilus 30S ribosomal subunit complexed with a human anti-codon stem loop (HASL) of transfer RNA lysine 3 (tRNALys3) bound to an mRNA with an AAA-codon in the A-site and Paromomycin
分子名称: 16s rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Murphy, F.V, Vendeix, F.A.P, Cantara, W, Leszczynska, G, Gustilo, E.M, Sproat, B, Malkiewicz, A.A.P, Agris, P.F.
登録日2011-07-21
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Human tRNA(Lys3)(UUU) Is Pre-Structured by Natural Modifications for Cognate and Wobble Codon Binding through Keto-Enol Tautomerism.
J.Mol.Biol., 416, 2012
3TD5
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BU of 3td5 by Molmil
Crystal structure of OmpA-like domain from Acinetobacter baumannii in complex with L-Ala-gamma-D-Glu-m-DAP-D-Ala-D-Ala
分子名称: CHLORIDE ION, Outer membrane protein omp38, peptide(L-Ala-gamma-D-Glu-m-DAP-D-Ala-D-Ala)
著者Park, J.S, Lee, W.C, Song, J.H, Kim, H.Y.
登録日2011-08-10
公開日2011-10-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mechanism of anchoring of OmpA protein to the cell wall peptidoglycan of the gram-negative bacterial outer membrane
Faseb J., 26, 2012
4IRG
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BU of 4irg by Molmil
Uninhibited DNA-binding domain of the Ets transcription factor ERG
分子名称: Transcriptional regulator ERG
著者Regan, M.C, Horanyi, P.S, Pryor, E.E, Sarver, J.L, Cafiso, D.S, Bushweller, J.H.
登録日2013-01-14
公開日2013-07-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and dynamic studies of the transcription factor ERG reveal DNA binding is allosterically autoinhibited.
Proc.Natl.Acad.Sci.USA, 110, 2013
4IRH
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BU of 4irh by Molmil
Auto-inhibited ERG Ets domain
分子名称: Transcriptional regulator ERG
著者Regan, M.C, Horanyi, P.S, Pryor, E.E, Sarver, J.L, Cafiso, D.S, Bushweller, J.H.
登録日2013-01-14
公開日2013-07-31
最終更新日2013-08-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and dynamic studies of the transcription factor ERG reveal DNA binding is allosterically autoinhibited.
Proc.Natl.Acad.Sci.USA, 110, 2013
4IRI
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BU of 4iri by Molmil
Auto-inhibited ERG Ets Domain-DNA Complex
分子名称: DNA (5'-D(*CP*CP*AP*CP*TP*TP*CP*CP*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*GP*GP*AP*AP*GP*TP*GP*G)-3'), Transcriptional regulator ERG
著者Regan, M.C, Horanyi, P.S, Pryor, E.E, Sarver, J.L, Cafiso, D.S, Bushweller, J.H.
登録日2013-01-14
公開日2013-07-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Structural and dynamic studies of the transcription factor ERG reveal DNA binding is allosterically autoinhibited.
Proc.Natl.Acad.Sci.USA, 110, 2013
4X0Z
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BU of 4x0z by Molmil
JC Polyomavirus genotype 3 VP1 in complex with GM1 oligosaccharide
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein, ...
著者Stroh, L.J, Stehle, T.
登録日2014-11-24
公開日2015-04-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The Greater Affinity of JC Polyomavirus Capsid for alpha 2,6-Linked Lactoseries Tetrasaccharide c than for Other Sialylated Glycans Is a Major Determinant of Infectivity.
J.Virol., 89, 2015
4X17
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BU of 4x17 by Molmil
JC Mad-1 polyomavirus VP1 in complex with GD1b oligosaccharide
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein VP1, ...
著者Stroh, L.J, Stehle, T.
登録日2014-11-24
公開日2015-04-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The Greater Affinity of JC Polyomavirus Capsid for alpha 2,6-Linked Lactoseries Tetrasaccharide c than for Other Sialylated Glycans Is a Major Determinant of Infectivity.
J.Virol., 89, 2015

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