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4W9C
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BU of 4w9c by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(oxazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 2)
分子名称: (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(1,3-oxazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ...
著者Gadd, M.S, Hewitt, S, Galdeano, C, van Molle, I, Ciulli, A.
登録日2014-08-27
公開日2014-09-10
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
8RQU
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BU of 8rqu by Molmil
Structure of TEM1 beta-lactamase variant 70.a
分子名称: Beta-lactamase TEM-1, MAGNESIUM ION
著者Napier, E, Fram, B.F, Gauthier, N.P, Sander, C, Khan, A.R.
登録日2024-01-19
公開日2024-02-14
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Simultaneous enhancement of multiple functional properties using evolution-informed protein design.
Nat Commun, 15, 2024
4W9R
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BU of 4w9r by Molmil
Crystal structure of uncharacterised protein Coch_1243 from Capnocytophaga ochracea DSM 7271
分子名称: ACETATE ION, GLYCEROL, Uncharacterized protein
著者Chang, C, Wu, R, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2014-08-27
公開日2014-09-10
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.703 Å)
主引用文献Crystal structure of uncharacterised protein Coch_1243 from Capnocytophaga ochracea DSM 7271
To Be Published
4V7Y
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BU of 4v7y by Molmil
Structure of the Thermus thermophilus 70S ribosome complexed with azithromycin.
分子名称: 16S rRNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Bulkley, D.P, Innis, C.A, Blaha, G, Steitz, T.A.
登録日2010-08-18
公開日2014-07-09
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Revisiting the structures of several antibiotics bound to the bacterial ribosome.
Proc.Natl.Acad.Sci.USA, 107, 2010
5CUV
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BU of 5cuv by Molmil
Crystal structure of Trypanosoma cruzi Vacuolar Soluble Pyrophosphatases in apo form
分子名称: Acidocalcisomal pyrophosphatase, D-MALATE, MAGNESIUM ION
著者Ko, T.P, Yang, Y.Y, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
登録日2015-07-25
公開日2016-03-02
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Crystal structure of Trypanosoma cruzi protein in complex with ligand
Acs Chem.Biol., 2016
5CVL
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BU of 5cvl by Molmil
WDR48 (UAF-1), residues 2-580
分子名称: GOLD ION, PHOSPHATE ION, WD repeat-containing protein 48
著者HARRIS, S.F, YIN, J.
登録日2015-07-27
公開日2015-10-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Insights into WD-Repeat 48 Activation of Ubiquitin-Specific Protease 46.
Structure, 23, 2015
5D2C
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BU of 5d2c by Molmil
Reaction of phosphorylated CheY with imidazole 1 of 3
分子名称: BERYLLIUM TRIFLUORIDE ION, Chemotaxis protein CheY, GLYCEROL, ...
著者Page, S, Silversmith, R.E, Bourret, R.B, Collins, E.J.
登録日2015-08-05
公開日2016-03-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Imidazole as a Small Molecule Analogue in Two-Component Signal Transduction.
Biochemistry, 54, 2015
5X3K
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BU of 5x3k by Molmil
Kfla1895 D451A mutant in complex with isomaltose
分子名称: GLYCEROL, Glycoside hydrolase family 31, SULFATE ION, ...
著者Tanaka, Y, Chen, M, Tagami, T, Yao, M, Kimura, A.
登録日2017-02-06
公開日2018-02-07
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Glycoside hydrolase mutant in complex with product
To Be Published
4WBL
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BU of 4wbl by Molmil
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation F235A
分子名称: 2',3'-cyclic-nucleotide 3'-phosphodiesterase, CHLORIDE ION, GLYCEROL
著者Myllykoski, M, Raasakka, A, Kursula, P.
登録日2014-09-03
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
4WC4
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BU of 4wc4 by Molmil
tRNA-processing enzyme complex 2
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Poly A polymerase, RNA (74-MER)
著者Yamashita, S, Tomita, K.
登録日2014-09-04
公開日2015-04-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.501 Å)
主引用文献Measurement of Acceptor-T Psi C Helix Length of tRNA for Terminal A76-Addition by A-Adding Enzyme.
Structure, 23, 2015
5CW9
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BU of 5cw9 by Molmil
Crystal structure of De novo designed ferredoxin-ferredoxin domain insertion protein
分子名称: De novo designed ferredoxin-ferredoxin domain insertion protein
著者DiMaio, F, King, I.C, Gleixner, J, Doyle, L, Stoddard, B, Baker, D.
登録日2015-07-28
公開日2015-09-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.108 Å)
主引用文献Precise assembly of complex beta sheet topologies from de novo designed building blocks.
Elife, 4, 2015
5CWQ
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BU of 5cwq by Molmil
Crystal structure of de novo designed helical repeat protein DHR81
分子名称: 1,2-ETHANEDIOL, Designed helical repeat protein, GLYCEROL, ...
著者Bhabha, G, Ekiert, D.C.
登録日2015-07-28
公開日2015-12-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5X7R
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BU of 5x7r by Molmil
Crystal structure of Paenibacillus sp. 598K alpha-1,6-glucosyltransferase complexed with isomaltohexaose
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
著者Fujimoto, Z, Kishine, N, Suzuki, N, Momma, M, Ichinose, H, Kimura, A, Funane, K.
登録日2017-02-27
公開日2017-07-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Carbohydrate-binding architecture of the multi-modular alpha-1,6-glucosyltransferase from Paenibacillus sp. 598K, which produces alpha-1,6-glucosyl-alpha-glucosaccharides from starch
Biochem. J., 474, 2017
4WEC
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BU of 4wec by Molmil
Crystal structure of a Short chain dehydrogenase from Mycobacterium smegmatis
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2014-09-09
公開日2014-10-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of a Short chain dehydrogenase from Mycobacterium smegmatis
to be published
5D45
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BU of 5d45 by Molmil
Crystal Structure of FABP4 in complex with 3-(5-cyclopropyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid
分子名称: 3-(5-cyclopropyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid, Fatty acid-binding protein, adipocyte
著者Tagami, U, Takahashi, K, Igarashi, S, Ejima, C, Yoshida, T, Takeshita, S, Miyanaga, W, Sugiki, M, Tokumasu, M, Hatanaka, T, Kashiwagi, T, Ishikawa, K, Miyano, H, Mizukoshi, T.
登録日2015-08-07
公開日2016-06-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Interaction Analysis of FABP4 Inhibitors by X-ray Crystallography and Fragment Molecular Orbital Analysis
Acs Med.Chem.Lett., 7, 2016
5D4C
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BU of 5d4c by Molmil
Crystal structure of Thermus thermophilus product complex for transcription initiation with ATP and CTP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CYTIDINE-5'-MONOPHOSPHATE, CYTIDINE-5'-TRIPHOSPHATE, ...
著者Zhang, Y, Ebright, R.H.
登録日2015-08-07
公開日2016-07-06
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.28 Å)
主引用文献The mechanism of RNA 5' capping with NAD(+), NADH and desphospho-CoA.
Nature, 535, 2016
6YB6
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BU of 6yb6 by Molmil
Thrombin in complex with D-Phe-Pro-3-chloro-1,3-dihydroxybenzylamide derivative (13c)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-Phe-Pro-3-chloro-1,3-dihydroxybenzylamide derivative, DIMETHYL SULFOXIDE, ...
著者Sandner, A, Heine, A, Klebe, G, Abazi, N.
登録日2020-03-16
公開日2021-03-31
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Thrombin in complex with D-Phe-Pro-3-chloro-1,3-dihydroxybenzylamide derivative (13c)
To be published
7R2T
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BU of 7r2t by Molmil
SYNJ2BP complex with a phosphorylated Vangl2 peptide at the P-1 position.
分子名称: CALCIUM ION, GLYCEROL, Synaptojanin-2-binding protein,Annexin, ...
著者Carrasco, K, Cousido Siah, A, Gogl, G, Betzi, S, McEwen, A, Kostmann, C, Trave, G.
登録日2022-02-05
公開日2023-05-17
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献PDZome-wide and structural characterization of the PDZ-binding motif of VANGL2.
Biochim Biophys Acta Proteins Proteom, 1872, 2024
7QT2
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BU of 7qt2 by Molmil
Antibody FenAb208 - fentanyl complex
分子名称: Antibody heavy chain, Antibody light chain, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
著者Zeelen, J.P, Straaten van, M, Stebbins, C.E.
登録日2022-01-14
公開日2023-05-24
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl.
Cell Rep, 42, 2023
5CXZ
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BU of 5cxz by Molmil
SYK catalytic domain complexed with naphthyridine inhibitor
分子名称: CHLORIDE ION, GLYCEROL, N-{7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl}propane-1,3-diamine, ...
著者Thoma, G, Veenstra, S, Strang, R, Blanz, J, Vangrevelinghe, E, Berghausen, J, Lee, C.C, Zerwes, H.-G.
登録日2015-07-29
公開日2015-09-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Orally bioavailable Syk inhibitors with activity in a rat PK/PD model.
Bioorg.Med.Chem.Lett., 25, 2015
7R2M
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BU of 7r2m by Molmil
SYNJ2BP complex with a synthetic Vangl2 peptide (9mer).
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CALCIUM ION, GLYCEROL, ...
著者Carrasco, K, Cousido Siah, A, Gogl, G, Betzi, S, McEwen, A, Kostmann, C, Trave, G.
登録日2022-02-04
公開日2023-05-17
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献PDZome-wide and structural characterization of the PDZ-binding motif of VANGL2.
Biochim Biophys Acta Proteins Proteom, 1872, 2024
5D6R
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BU of 5d6r by Molmil
Acetolactate Synthase from Klebsiella pneumoniae in Complex with Mechanism-Based Inhibitor
分子名称: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(Z)-2-fluoro-1-hydroxy-2-phosphonoethenyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, Acetolactate synthase, catabolic, ...
著者Latta, A.J, Andrews, F.H, McLeish, M.J.
登録日2015-08-12
公開日2016-07-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.276 Å)
主引用文献Acetolactate Synthase from Klebsiella pneumoniae in Complex with Mechanism-Based Inhibitor
To Be Published
7QUH
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BU of 7quh by Molmil
Siglec-8 in complex with therapeutic Fab AK002.
分子名称: Sialic acid-binding Ig-like lectin 8, Sialic acid-binding immunoglobulin-type lectin
著者Lenza, M.P, Oyenarte, I, Jimenez Barbero, J, Ereno Orbea, J.
登録日2022-01-18
公開日2023-05-31
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.867 Å)
主引用文献Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody.
Jacs Au, 3, 2023
5CY9
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BU of 5cy9 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ...
著者Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y.
登録日2015-07-30
公開日2016-01-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
7QT4
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BU of 7qt4 by Molmil
Antibody FenAb709 - fentanyl complex
分子名称: 2-[2-[2-[2-[[5-oxidanylidene-5-[2-[4-[phenyl(propanoyl)amino]piperidin-1-yl]ethylamino]pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid, Antibody heavy chain, Antibody light chain
著者Zeelen, J.P, Straaten van, M, Stebbins, C.E.
登録日2022-01-14
公開日2023-05-24
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl.
Cell Rep, 42, 2023

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件を2025-07-09に公開中

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