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4CFY
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BU of 4cfy by Molmil
SAVINASE CRYSTAL STRUCTURES FOR COMBINED SINGLE CRYSTAL DIFFRACTION AND POWDER DIFFRACTION ANALYSIS
分子名称: CALCIUM ION, SODIUM ION, SUBTILISIN SAVINASE
著者Frankaer, C.G, Moroz, O.V, Turkenburg, J.P, Aspmo, S.I, Thymark, M, Friis, E.P, Stahla, K, Nielsen, J.E, Wilson, K.S, Harris, P.
登録日2013-11-19
公開日2014-04-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Analysis of an Industrial Production Suspension of Bacillus Lentus Subtilisin Crystals by Powder Diffraction: A Powerful Quality-Control Tool.
Acta Crystallogr.,Sect.D, 70, 2014
6T99
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BU of 6t99 by Molmil
Crystal structrue of RSL W31YW76Y lectin mutant in complex with alpha-methylfucoside
分子名称: Fucose-binding lectin protein, SODIUM ION, methyl alpha-L-fucopyranoside
著者Houser, J, Kozmon, S, Wimmerova, M.
登録日2019-10-26
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The CH-pi Interaction in Protein-Carbohydrate Binding: Bioinformatics and In Vitro Quantification.
Chemistry, 26, 2020
6T9B
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BU of 6t9b by Molmil
Crystal structrue of RSL W31A lectin mutant in complex with alpha-methylfucoside
分子名称: Fucose-binding lectin protein, GLYCINE, methyl alpha-L-fucopyranoside
著者Houser, J, Komarek, J, Kozmon, S, Wimmerova, M.
登録日2019-10-26
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献The CH-pi Interaction in Protein-Carbohydrate Binding: Bioinformatics and In Vitro Quantification.
Chemistry, 26, 2020
7SQM
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BU of 7sqm by Molmil
Discovery and Preclinical Pharmacology of INE963, A Potent and Fast-Acting Blood-Stage Antimalarial with a High Barrier to Resistance and Potential for Single-Dose Cure in Uncomplicated Malaria
分子名称: 1-[(4S)-5-(2,4-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-amine, GLYCEROL, Serine/threonine-protein kinase haspin
著者Shu, W, Yokokawa, F.
登録日2021-11-05
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Failure of artesunate-mefloquine combination therapy for uncompli-cated Plasmodium falciparum malaria in southern Cambodia.
Malar. J., 2009, 8, 10, 2009
4CRP
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BU of 4crp by Molmil
Solution structure of a TrkAIg2 domain construct for use in drug discovery
分子名称: HIGH AFFINITY NERVE GROWTH FACTOR RECEPTOR
著者Shoemark, D.K, Fahey, M, Williams, C, Sessions, R.B, Crump, M.P, Allen-Birt, S.J.
登録日2014-02-28
公開日2015-01-14
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Design and Nuclear Magnetic Resonance (NMR) Structure Determination of the Second Extracellular Immunoglobulin Tyrosine Kinase a (Trkaig2) Domain Construct for Binding Site Elucidation in Drug Discovery
J.Med.Chem., 58, 2015
4DG7
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BU of 4dg7 by Molmil
Low resolution structure of Drosophila Translin
分子名称: GM27569p
著者Kumar, V, Gupta, G.D.
登録日2012-01-25
公開日2012-06-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (4.195 Å)
主引用文献Low-resolution structure of Drosophila translin
FEBS Open Bio, 2, 2012
2IHN
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BU of 2ihn by Molmil
Co-crystal of Bacteriophage T4 RNase H with a fork DNA substrate
分子名称: 5'-D(*CP*TP*AP*AP*CP*TP*TP*TP*GP*AP*GP*GP*CP*AP*GP*AP*CP*C)-3', 5'-D(*GP*GP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*TP*AP*GP*TP*CP*AP*A)-3', Ribonuclease H
著者Devos, J.M, Mueser, T.C.
登録日2006-09-26
公開日2007-08-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of bacteriophage T4 5' nuclease in complex with a branched DNA reveals how FEN-1 family nucleases bind their substrates.
J.Biol.Chem., 282, 2007
6TPP
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BU of 6tpp by Molmil
Structure of E70A mutant of Rex8A from Paenibacillus barcinonensis.
分子名称: 1,2-ETHANEDIOL, Reducing-end xylose-releasing exo-oligoxylanase Rex8A
著者Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J.
登録日2019-12-13
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structural analysis of the reducing-end xylose-releasing exo-oligoxylanase Rex8A from Paenibacillus barcinonensis BP-23 deciphers its molecular specificity.
Febs J., 287, 2020
5LUD
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BU of 5lud by Molmil
Structure of Cyclophilin A in complex with 2,3-Diaminopyridine
分子名称: Peptidyl-prolyl cis-trans isomerase, pyridine-2,3-diamine
著者McNae, I.W, Nowicki, M.W, Blackburn, E.A, Wear, M.A, Walkinshaw, M.D.
登録日2016-09-08
公開日2017-04-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Thermo-kinetic analysis space expansion for cyclophilin-ligand interactions - identification of a new nonpeptide inhibitor using BiacoreTM T200.
FEBS Open Bio, 7, 2017
2W3B
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BU of 2w3b by Molmil
HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND A LIPOPHILIC ANTIFOLATE SELECTIVE FOR MYCOBACTERIUM AVIUM DHFR, 6-((2,5- DIETHOXYPHENYL)AMINOMETHYL)-2,4-DIAMINO-5-METHYLPYRIDO(2,3-D) PYRIMIDINE (SRI-8686)
分子名称: 6-{[(2,5-DIETHOXYPHENYL)AMINO]METHYL}-5-METHYLPYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE, DIHYDROFOLATE REDUCTASE, FOLIC ACID, ...
著者Leung, A.K.W, Reynolds, R.C, Borhani, D.W.
登録日2008-11-11
公開日2009-11-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Structural Basis for Selective Inhibition of Mycobacterium Avium Dihydrofolate Reductase by a Lipophilic Antifolate
To be Published
6CXD
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BU of 6cxd by Molmil
Crystal structure of peptidase B from Yersinia pestis CO92 at 2.75 A resolution
分子名称: Peptidase B, SULFATE ION
著者Woinska, M, Lipowska, J, Shabalin, I.G, Cymborowski, M, Grimshaw, S, Winsor, J, Shuvalova, L, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-04-02
公開日2018-04-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain.
Febs J., 287, 2020
6TJR
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BU of 6tjr by Molmil
Structure of HdrA-like subunit from Hyphomicrobium denitrificans
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Fumarate reductase/succinate dehydrogenase flavoprotein domain protein, ...
著者Kayastha, K, Ermler, U, Dahl, C.
登録日2019-11-26
公開日2020-08-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Structural and spectroscopic characterization of a HdrA-like subunit from Hyphomicrobium denitrificans.
Febs J., 288, 2021
6T5X
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BU of 6t5x by Molmil
Crystal structure of Salmonella typhimurium FabG in complex with NADPH at 1.5 A resolution
分子名称: 3-oxoacyl-[acyl-carrier-protein] reductase FabG, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Vella, P, Schnell, R, Schneider, G.
登録日2019-10-17
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
6T62
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Crystal structure of Acinetobacter baumannii FabG in complex with NADPH at 1.8 A resolution
分子名称: 3-oxoacyl-(Acyl-carrier-protein) reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Vella, P, Schnell, R, Schneider, G.
登録日2019-10-17
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2020
6NV6
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BU of 6nv6 by Molmil
Crystal structure of the theta class glutathione S-transferase from the citrus canker pathogen Xanthomonas axonopodis pv. citri with glutathione bound
分子名称: CHLORIDE ION, GLUTATHIONE, Glutathione S-transferase
著者Hilario, E, De Keyser, S, Fan, L.
登録日2019-02-04
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural and biochemical characterization of a glutathione transferase from the citrus canker pathogen Xanthomonas.
Acta Crystallogr D Struct Biol, 76, 2020
6T6P
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BU of 6t6p by Molmil
Crystal structure of Klebsiella pneumoniae FabG2(NADH-dependent) at 1.57 A resolution
分子名称: 3-oxoacyl-[acyl-carrier protein] reductase, GLYCEROL, PHOSPHATE ION
著者Vella, P, Schnell, R, Lindqvist, Y, Schneider, G.
登録日2019-10-18
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
6T7M
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BU of 6t7m by Molmil
Crystal structure of Salmonella typhimurium FabG at 2.65 A resolution
分子名称: 3-oxoacyl-[acyl-carrier-protein] reductase FabG
著者Vella, P, Schnell, R, Schneider, G.
登録日2019-10-22
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
6NQY
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BU of 6nqy by Molmil
Flagellar protein FcpA from Leptospira biflexa / ab-centered monoclinic form
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Flagellar coiling protein A, ...
著者Mechaly, A, Larrieux, N, Trajtenberg, F, Buschiazzo, A.
登録日2019-01-22
公開日2020-01-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献An asymmetric sheath controls flagellar supercoiling and motility in the Leptospira spirochete.
Elife, 9, 2020
6NQX
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Flagellar protein FcpA from Leptospira biflexa / primitive monoclinic form
分子名称: Flagellar coiling protein A, GLYCEROL
著者Mechaly, A, Larrieux, N, Trajtenberg, F, Buschiazzo, A.
登録日2019-01-22
公開日2020-01-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献An asymmetric sheath controls flagellar supercoiling and motility in the Leptospira spirochete
Elife, 9, 2020
6T60
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BU of 6t60 by Molmil
Crystal structure of Acinetobacter baumannii FabG at 1.66 A resolution
分子名称: 3-oxoacyl-(Acyl-carrier-protein) reductase
著者Vella, P, Schnell, R, Schneider, G.
登録日2019-10-17
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2020
6T6N
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BU of 6t6n by Molmil
Crystal structure of Klebsiella pneumoniae FabG2(NADH-dependent) in complex with NADH at 2.5 A resolution
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-oxoacyl-[acyl-carrier protein] reductase, D-MALATE, ...
著者Vella, P, Schnell, R, Lindqvist, Y, Schneider, G.
登録日2019-10-18
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
6NMS
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BU of 6nms by Molmil
Blocking Fab 136 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
分子名称: Fab 136 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 136 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1
著者Wibowo, A.S, Carter, J.J, Sim, J.
登録日2019-01-11
公開日2019-08-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
6NQW
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BU of 6nqw by Molmil
Flagellar protein FcpA from Leptospira biflexa - hexagonal form
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Flagellar coiling protein A, GLYCEROL, ...
著者San Martin, F, Trajtenberg, F, Larrieux, N, Buschiazzo, A.
登録日2019-01-22
公開日2020-01-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献An asymmetric sheath controls flagellar supercoiling and motility in the Leptospira spirochete
Elife, 9, 2020
6T77
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BU of 6t77 by Molmil
Crystal structure of Klebsiella pneumoniae FabG(NADPH-dependent) NADP-complex at 1.75 A resolution
分子名称: 3-oxoacyl-ACP reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Vella, P, Schnell, R, Lindqvist, Y, Schneider, G.
登録日2019-10-21
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
1Y4O
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BU of 1y4o by Molmil
Solution structure of a mouse cytoplasmic Roadblock/LC7 dynein light chain
分子名称: Dynein light chain 2A, cytoplasmic
著者Song, J, Tyler, R.C, Lee, M.S, Tyler, E.M, Markley, J.L, Center for Eukaryotic Structural Genomics (CESG)
登録日2004-12-01
公開日2005-01-18
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of isoform 1 of Roadblock/LC7, a light chain in the dynein complex.
J.Mol.Biol., 354, 2005

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