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4LHO
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Crystal Structure of FG41Malonate Semialdehyde Decarboxylase inhibited by 3-bromopropiolate
分子名称: 3-chloro-3-oxopropanoic acid, FG41 Malonate Semialdehyde Decarboxylase, PHOSPHATE ION
著者Guo, Y, Serrano, H, Poelarends, G.J, Johnson Jr, W.H, Hackert, M.L, Whitman, C.P.
登録日2013-07-01
公開日2013-07-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.224 Å)
主引用文献Kinetic, Mutational, and Structural Analysis of Malonate Semialdehyde Decarboxylase from Coryneform Bacterium Strain FG41: Mechanistic Implications for the Decarboxylase and Hydratase Activities.
Biochemistry, 52, 2013
1RMO
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Probing the Role of Tryptophans in Aequorea Victoria Green Fluorescent Proteins with an Expanded Genetic Code
分子名称: wunen-nonfunctional GFP fusion protein
著者Budisa, N, Pal, P.P, Alefelder, S, Birle, P, Krywcun, T, Rubini, M, Wenger, W, Bae, J.H, Steiner, T.
登録日2003-11-28
公開日2004-06-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Probing the role of tryptophans in Aequorea victoria green fluorescent proteins with an expanded genetic code
Biol.Chem., 385, 2004
1RM9
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Probing the Role of Tryptophans in Aequorea Victoria Green Fluorescent Proteins with an Expanded Genetic Code
分子名称: avermectin-sensitive chloride channel GluCl beta/cyan fluorescent protein fusion
著者Budisa, N, Pal, P.P, Alefelder, S, Birle, P, Krywcun, T, Rubini, M, Wenger, W, Bae, J.H, Steiner, T.
登録日2003-11-27
公開日2004-06-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Probing the role of tryptophans in Aequorea victoria green fluorescent proteins with an expanded genetic code
Biol.Chem., 385, 2004
1RMP
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Probing the Role of Tryptophans in Aequorea Victoria Green Fluorescent Proteins with an Expanded Genetic Code
分子名称: SIGF1-GFP fusion protein
著者Budisa, N, Pal, P.P, Alefelder, S, Birle, P, Krywcun, T, Rubini, M, Wenger, W, Bae, J.H, Steiner, T.
登録日2003-11-28
公開日2004-06-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Probing the role of tryptophans in Aequorea victoria green fluorescent proteins with an expanded genetic code
Biol.Chem., 385, 2004
1A8W
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A K+ CATION-INDUCED CONFORMATIONAL SWITCH WITHIN A LOOP SPANNING SEGMENT OF A DNA QUADRUPLEX CONTAINING G-G-G-C REPEATS, NMR, 8 STRUCTURES
分子名称: DNA QUADRUPLEX CONTAINING GGGG TETRADS AND GC WATSON-CRICK BASE PAIRS
著者Bouaziz, S, Kettani, A, Patel, D.J.
登録日1998-03-28
公開日1998-10-14
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A K cation-induced conformational switch within a loop spanning segment of a DNA quadruplex containing G-G-G-C repeats.
J.Mol.Biol., 282, 1998
4YI3
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BU of 4yi3 by Molmil
Crystal structure of Gpb in complex with 4a
分子名称: DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form, ...
著者Kantsadi, A.L, Chatzileontiadou, D.S.M, Stravodimos, G.A, Leonidas, D.D.
登録日2015-02-27
公開日2015-11-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Glycogen phosphorylase as a target for type 2 diabetes: synthetic, biochemical, structural and computational evaluation of novel N-acyl-N -( beta-D-glucopyranosyl) urea inhibitors.
Curr Top Med Chem, 15, 2015
4X6X
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Human soluble epoxide hydrolase in complex with a three substituted cyclopropane derivative
分子名称: 3-{4-[(1-{[(1s,2R,3S)-2,3-diphenylcyclopropyl]carbamoyl}piperidin-4-yl)oxy]phenyl}propanoic acid, Bifunctional epoxide hydrolase 2
著者Chiyo, N, Takai, K, Ishii, T.
登録日2014-12-09
公開日2015-04-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three-dimensional rational approach to the discovery of potent substituted cyclopropyl urea soluble epoxide hydrolase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
7VHY
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BU of 7vhy by Molmil
Crystal structure of EP300 HAT domain in complex with compound (+)-3
分子名称: Histone acetyltransferase p300, ZINC ION, [(6R)-6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
著者Takahashi, M, Hanzawa, H.
登録日2021-09-24
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring.
Bioorg.Med.Chem.Lett., 66, 2022
1RCV
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BU of 1rcv by Molmil
Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV1
分子名称: [3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO] -2-(3-{4-[3-(3-NITRO-5-[GALACTOPYRANOSYLOXY]-BENZOYLAMINO)-PROPYL]-PIPERAZIN-1-YL} -PROPYL-AMINO)-3,4-DIOXO-CYCLOBUTENE, cholera toxin B protein (CTB)
著者Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E.
登録日2003-11-04
公開日2004-10-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer.
Chem.Biol., 11, 2004
3C3S
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Role of a Glutamate Bridge Spanning the Dimeric Interface of Human Manganese Superoxide Dismutase
分子名称: MANGANESE (II) ION, SULFATE ION, Superoxide dismutase [Mn]
著者Quint, P.S, Domsic, J.F, Cabelli, D.E, McKenna, R, Silverman, D.N.
登録日2008-01-28
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Role of a glutamate bridge spanning the dimeric interface of human manganese superoxide dismutase.
Biochemistry, 47, 2008
4M5Z
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BU of 4m5z by Molmil
Crystal structure of broadly neutralizing antibody 5J8 bound to 2009 pandemic influenza hemagglutinin, HA1 subunit
分子名称: Fab 5J8 heavy chain, Fab 5J8 light chain, Hemagglutinin HA1 chain
著者Hong, M, Lee, P.S, Wilson, I.A.
登録日2013-08-08
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Antibody Recognition of the Pandemic H1N1 Influenza Virus Hemagglutinin Receptor Binding Site.
J.Virol., 87, 2013
3C3T
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Role of a Glutamate Bridge Spanning the Dimeric Interface of Human Manganese Superoxide Dismutase
分子名称: MANGANESE (II) ION, SULFATE ION, Superoxide dismutase [Mn]
著者Quint, P.S, Domsic, J.F, Cabelli, D.E, McKenna, R, Silverman, D.N.
登録日2008-01-28
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Role of a glutamate bridge spanning the dimeric interface of human manganese superoxide dismutase.
Biochemistry, 47, 2008
2ZBB
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P43 crystal of DctBp
分子名称: C4-dicarboxylate transport sensor protein dctB, MALONIC ACID
著者Zhou, Y.F, Nan, B.Y, Liu, X, Nan, J, Liang, Y.H, Panjikar, S, Ma, Q.J, Wang, Y.P, Su, X.-D.
登録日2007-10-18
公開日2008-11-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献crystal structures of sensory histidine kinase DctBp
to be published
2XYS
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Crystal structure of Aplysia californica AChBP in complex with strychnine
分子名称: SOLUBLE ACETYLCHOLINE RECEPTOR, STRYCHNINE
著者Brams, M, Pandya, A, Kuzmin, D, van Elk, R, Krijnen, L, Yakel, J.L, Tsetlin, V, Smit, A.B, Ulens, C.
登録日2010-11-19
公開日2011-03-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.909 Å)
主引用文献A Structural and Mutagenic Blueprint for Molecular Recognition of Strychnine and D-Tubocurarine by Different Cys-Loop Receptors.
Plos Biol., 9, 2011
5G0R
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METHYL-COENZYME M REDUCTASE I FROM METHANOTHERMOBACTER MARBURGENSIS EXPOSED TO 3-NITROOXYPROPANOL
分子名称: CHLORIDE ION, Coenzyme B, FACTOR 430, ...
著者Wagner, T.
登録日2016-03-22
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Mode of Action Uncovered for the Specific Reduction of Methane Emissions from Ruminants by the Small Molecule 3-Nitrooxypropanol.
Proc.Natl.Acad.Sci.USA, 113, 2016
2XYT
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Crystal structure of Aplysia californica AChBP in complex with d- tubocurarine
分子名称: D-TUBOCURARINE, SOLUBLE ACETYLCHOLINE RECEPTOR
著者Brams, M, Pandya, A, Kuzmin, D, van Elk, R, Krijnen, L, Yakel, J.L, Tsetlin, V, Smit, A.B, Ulens, C.
登録日2010-11-19
公開日2011-03-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献A Structural and Mutagenic Blueprint for Molecular Recognition of Strychnine and D-Tubocurarine by Different Cys-Loop Receptors.
Plos Biol., 9, 2011
5DP2
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CurF ER cyclopropanase from curacin A biosynthetic pathway
分子名称: CurF, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Khare, D, Smith, J.L.
登録日2015-09-12
公開日2015-11-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Structural Basis for Cyclopropanation by a Unique Enoyl-Acyl Carrier Protein Reductase.
Structure, 23, 2015
6J1M
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BU of 6j1m by Molmil
Anisodus acutangulus type III polyketide sythase AaPKS2 in complex with 4-carboxy-3-oxobutanoyl covalent to C166
分子名称: 1,2-ETHANEDIOL, 3-oxopentanedioic acid, A. acutangulus PKS2
著者Fang, C.L, Zhang, Y.
登録日2018-12-28
公開日2019-09-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Tropane alkaloids biosynthesis involves an unusual type III polyketide synthase and non-enzymatic condensation.
Nat Commun, 10, 2019
2QYT
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Crystal structure of 2-dehydropantoate 2-reductase from Porphyromonas gingivalis W83
分子名称: 1,2-ETHANEDIOL, 2-dehydropantoate 2-reductase, SULFATE ION
著者Tan, K, Wu, R, Moy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2007-08-15
公開日2007-09-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The crystal structure of 2-dehydropantoate 2-reductase from Porphyromonas gingivalis W83.
To be Published
1VZI
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BU of 1vzi by Molmil
Structure of superoxide reductase bound to ferrocyanide and active site expansion upon X-ray induced photoreduction
分子名称: CALCIUM ION, CHLORIDE ION, DESULFOFERRODOXIN, ...
著者Adam, V, Royant, A, Niviere, V, Molina-Heredia, F.P, Bourgeois, D.
登録日2004-05-19
公開日2004-08-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structure of superoxide reductase bound to ferrocyanide and active site expansion upon X-ray-induced photo-reduction.
Structure, 12, 2004
5L16
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Crystal Structure of N-terminus truncated selenophosphate synthetase from Leishmania major
分子名称: Putative selenophosphate synthetase, SULFATE ION
著者Faim, L.M, Silva, I.R, Pereira, H.M, Dias, M.B, Silva, M.T.A, Brandao-Neto, J, Thiemann, O.H.
登録日2016-07-28
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.882 Å)
主引用文献Trypanosomatid selenophosphate synthetase structure, function and interaction with selenocysteine lyase.
Plos Negl Trop Dis, 14, 2020
5BQI
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Discovery of a Potent and Selective mPGES-1 Inhibitor for the Treatment of Pain
分子名称: (2-hydroxyethoxy)acetaldehyde, 2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}-N-{5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl}pyridine-3-carboxamide, GLUTATHIONE, ...
著者Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G.
登録日2015-05-29
公開日2016-04-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors.
J.Med.Chem., 59, 2016
5MVR
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BU of 5mvr by Molmil
Crystal structure of Bacillus subtilus YdiB
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Jault, J.-M, Aghajari, N.
登録日2017-01-17
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.762 Å)
主引用文献Expanding the Kinome World: A New Protein Kinase Family Widely Conserved in Bacteria.
J. Mol. Biol., 429, 2017
5M9U
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Spatial structure of antimicrobial peptide arenicin-1 mutant V8R
分子名称: Arenicin-1
著者Myshkin, M.Y, Shenkarev, Z.O, Panteleev, P.V, Ovchinnikova, T.V.
登録日2016-11-02
公開日2017-07-26
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Dimerization of the antimicrobial peptide arenicin plays a key role in the cytotoxicity but not in the antibacterial activity.
Biochem. Biophys. Res. Commun., 482, 2017
2WIH
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STRUCTURE OF CDK2-CYCLIN A WITH PHA-848125
分子名称: CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, ...
著者Brasca, M.G, Amboldi, N, Ballinari, D, Cameron, A.D, Casale, E, Cervi, G, Colombo, M, Colotta, F, Croci, V, Dalessio, R, Fiorentini, F, Isacchi, A, Mercurio, C, Moretti, W, Panzeri, A, Pastori, W, Pevarello, P, Quartieri, F, Roletto, F, Traquandi, G, Vianello, P, Vulpetti, A, Ciomei, M.
登録日2009-05-13
公開日2009-07-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identification of N,1,4,4-Tetramethyl-8-{[4-(4-Methylpiperazin-1-Yl)Phenyl]Amino}-4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline-3-Carboxamide (Pha-848125), a Potent, Orally Available Cyclin Dependent Kinase Inhibitor.
J.Med.Chem., 52, 2009

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