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1P24
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Crystal structure of cobalt(II)-d(GGCGCC)2
分子名称: COBALT (II) ION, DNA (5'-D(*GP*GP*CP*GP*CP*C)-3')
著者Labiuk, S.L, Delbaere, L.T, Lee, J.S.
登録日2003-04-14
公開日2003-12-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Cobalt(II), nickel(II) and zinc(II) do not bind to intra-helical N(7) guanine positions in the B-form crystal structure of d(GGCGCC)
J.Biol.Inorg.Chem., 8, 2003
5T1W
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BU of 5t1w by Molmil
Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality
分子名称: (4aR,6R,8aS)-8a-(2,4-difluoro-5-{[(2,2,2-trifluoroethyl)amino]methyl}phenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, CHLORIDE ION, ...
著者Parris, K.D, Vajdos, F.
登録日2016-08-22
公開日2017-01-11
最終更新日2017-01-25
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality.
J. Med. Chem., 60, 2017
4FG2
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Crystal structure of Bacillus Subtilis expansin (EXLX1) in complex with cellotetraose
分子名称: ACETIC ACID, Expansin-yoaJ, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Georgelis, N, Yennawar, N.H, Cosgrove, D.J.
登録日2012-06-02
公開日2012-08-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Structural basis for entropy-driven cellulose binding by a type-A cellulose-binding module (CBM) and bacterial expansin.
Proc.Natl.Acad.Sci.USA, 109, 2012
1MQL
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BU of 1mql by Molmil
BHA of Ukr/63
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
著者ha, y, stevens, d.j, skehel, j.j, wiley, d.c.
登録日2002-09-16
公開日2003-08-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献X-ray structure of the hemagglutinin of a potential H3 avian progenitor of the 1968 Hong Kong pandemic influenza virus.
Virology, 309, 2003
1PW9
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High resolution crystal structure of an active recombinant fragment of human lung surfactant protein D
分子名称: CALCIUM ION, Pulmonary surfactant-associated protein D
著者Shrive, A.K, Tharia, H.A, Strong, P, Kishore, U, Burns, I, Rizkallah, P.J, Reid, K.B, Greenhough, T.J.
登録日2003-07-01
公開日2003-08-05
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献High resolution structural insights into ligand binding and immune cell recognition by human lung surfactant protein D
J.Mol.Biol., 331, 2003
4II0
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BU of 4ii0 by Molmil
Crystal structure of CrataBL, a trypsin inhibitor from Crataeva tapia
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CrataBL, GLYCEROL, ...
著者Zhou, D, Wlodawer, A.
登録日2012-12-19
公開日2013-07-24
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of Crataeva tapia Bark Protein (CrataBL) and Its Effect in Human Prostate Cancer Cell Lines.
Plos One, 8, 2013
4CPI
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streptavidin A86D mutant with love-hate ligand 4
分子名称: 5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4- d]imidazolidin-4-yl]-N'-{2,6-bis[4-(morpholine-4- sulfonyl)phenyl]phenyl}pentanehydrazide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Fairhead, M, Shen, D, Chan, L.K.M, Lowe, E.D, Donohoe, T.J, Howarth, M.
登録日2014-02-06
公開日2014-08-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Love-Hate Ligands for High Resolution Analysis of Strain in Ultra-Stable Protein/Small Molecule Interaction.
Bioorg.Med.Chem., 22, 2014
1PPJ
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BU of 1ppj by Molmil
Bovine cytochrome bc1 complex with stigmatellin and antimycin
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-METHYL-BUTYRIC ACID 3-(3-FORMYLAMINO-2-HYDROXY-BENZOYLAMINO)-8-HEPTYL-2,6-DIMETHYL-4,9-DIOXO-[1,5]DIOXONAN-7-YL ESTER, AZIDE ION, ...
著者Huang, L.S, Cobessi, D, Tung, E.Y, Berry, E.A.
登録日2003-06-16
公開日2004-07-20
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Binding of the Respiratory Chain Inhibitor Antimycin to the Mitochondrial bc(1) Complex: A New Crystal Structure Reveals an Altered Intramolecular Hydrogen-bonding Pattern.
J.Mol.Biol., 351, 2005
3PZQ
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BU of 3pzq by Molmil
Structure of the hyperthermostable endo-1,4-beta-D-mannanase from Thermotoga petrophila RKU-1 with maltose and glycerol
分子名称: Mannan endo-1,4-beta-mannosidase. Glycosyl Hydrolase family 5, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Santos, C.R, Meza, A.N, Paiva, J.H, Silva, J.C, Ruller, R, Prade, R.A, Squina, F.M, Murakami, M.T.
登録日2010-12-14
公開日2011-12-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural characterization of a novel hyperthermostable endo-1,4-beta-D-mannanase from Thermotoga petrophila RKU-1
To be Published
5SAF
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BU of 5saf by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with EN300-321461
分子名称: 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine, CITRIC ACID, Uridylate-specific endoribonuclease
著者Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G.
登録日2021-05-19
公開日2021-06-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 2023
7YZS
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BU of 7yzs by Molmil
Crystal structure of the sulfoquinovosyl binding protein SmoF complexed with sulfoquinovose
分子名称: 6-deoxy-6-sulfo-beta-D-glucopyranose, Sulfoquinovosyl binding protein
著者Snow, A.J.D, Davies, G.J.
登録日2022-02-21
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The sulfoquinovosyl glycerol binding protein SmoF binds and accommodates plant sulfolipids.
Curr Res Struct Biol, 4, 2022
4N79
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BU of 4n79 by Molmil
Structure of Cathepsin K-dermatan sulfate complex
分子名称: Cathepsin K, alpha-L-idopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-alpha-L-idopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-alpha-L-idopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose
著者Aguda, A.H, Nguyen, N.T, Bromme, D, Brayer, G.D.
登録日2013-10-15
公開日2014-11-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structural basis of collagen fiber degradation by cathepsin K.
Proc.Natl.Acad.Sci.USA, 111, 2014
1JWJ
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BU of 1jwj by Molmil
Murine Inducible Nitric Oxide Synthase Oxygenase Dimer (Delta 65) with W457F Mutation at Tetrahydrobiopterin Binding Site
分子名称: 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
著者Aoyagi, M, Arvai, A.S, Ghosh, S, Stuehr, D.J, Tainer, J.A, Getzoff, E.D.
登録日2001-09-04
公開日2001-10-31
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of tetrahydrobiopterin binding-site mutants of inducible nitric oxide synthase oxygenase dimer and implicated roles of Trp457.
Biochemistry, 40, 2001
1JWY
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BU of 1jwy by Molmil
CRYSTAL STRUCTURE OF THE DYNAMIN A GTPASE DOMAIN COMPLEXED WITH GDP, DETERMINED AS MYOSIN FUSION
分子名称: ADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Niemann, H.H, Knetsch, M.L.W, Scherer, A, Manstein, D.J, Kull, F.J.
登録日2001-09-05
公開日2001-11-07
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of a dynamin GTPase domain in both nucleotide-free and GDP-bound forms.
EMBO J., 20, 2001
1AVB
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BU of 1avb by Molmil
ARCELIN-1 FROM PHASEOLUS VULGARIS L
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARCELIN-1, ...
著者Mourey, L, Pedelacq, J.D, Fabre, C, Rouge, P, Samama, J.P.
登録日1997-09-15
公開日1998-10-14
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the arcelin-1 dimer from Phaseolus vulgaris at 1.9-A resolution.
J.Biol.Chem., 273, 1998
1JZ4
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E. COLI (lacZ) BETA-GALACTOSIDASE-TRAPPED 2-DEOXY-GALACTOSYL-ENZYME INTERMEDIATE (Low Bis-Tris)
分子名称: 2-deoxy-alpha-D-galactopyranose, Beta-Galactosidase, DIMETHYL SULFOXIDE, ...
著者Juers, D.H, Matthews, B.W.
登録日2001-09-13
公開日2001-12-07
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Structural View of the Action of Escherichia Coli (Lacz) Beta-Galactosidase
Biochemistry, 40, 2001
3C43
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Human dipeptidyl peptidase IV/CD26 in complex with a flouroolefin inhibitor
分子名称: (2S,3S)-4-cyclopropyl-3-{(3R,5R)-3-[2-fluoro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazolidin-5-yl}-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G, Edmondson, S.D, Weber, A.E.
登録日2008-01-29
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Fluoroolefins as amide bond mimics in dipeptidyl peptidase IV inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3L2K
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BU of 3l2k by Molmil
Structure of phenazine antibiotic biosynthesis protein with substrate
分子名称: EhpF, phenazine-1,6-dicarboxylic acid
著者Bera, A.K, Atanasova, V, Parsons, J.F.
登録日2009-12-15
公開日2010-05-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the D-alanylgriseoluteic acid biosynthetic protein EhpF, an atypical member of the ANL superfamily of adenylating enzymes.
Acta Crystallogr.,Sect.D, 66, 2010
1JGI
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BU of 1jgi by Molmil
Crystal Structure of the Active Site Mutant Glu328Gln of Amylosucrase from Neisseria polysaccharea in Complex with the Natural Substrate Sucrose
分子名称: amylosucrase, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
著者Mirza, O, Skov, L.K, Gajhede, M.
登録日2001-06-25
公開日2001-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of amylosucrase from Neisseria polysaccharea in complex with D-glucose and the active site mutant Glu328Gln in complex with the natural substrate sucrose.
Biochemistry, 40, 2001
4OEM
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Crystal structure of Cathepsin C in complex with dipeptide substrates
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Zhao, B, Smallwood, A, Concha, N.
登録日2014-01-13
公開日2015-03-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献The amino-acid substituents of dipeptide substrates of cathepsin C can determine the rate-limiting steps of catalysis.
Biochemistry, 51, 2012
5VYR
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Crystal structure of the WbkC formyl transferase from Brucella melitensis
分子名称: (6R)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3H)-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Riegert, A.S, Chantigian, D.P, Thoden, J.B, Holden, H.M.
登録日2017-05-26
公開日2017-07-05
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Biochemical Characterization of WbkC, an N-Formyltransferase from Brucella melitensis.
Biochemistry, 56, 2017
1JZ3
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E. COLI (lacZ) BETA-GALACTOSIDASE-TRAPPED 2-DEOXY-GALACTOSYL ENZYME INTERMEDIATE
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-deoxy-alpha-D-galactopyranose, Beta-Galactosidase, ...
著者Juers, D.H, Matthews, B.W.
登録日2001-09-13
公開日2001-12-07
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A Structural View of the Action of Escherichia Coli (Lacz) Beta-Galactosidase
Biochemistry, 40, 2001
3BW7
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Maize cytokinin oxidase/dehydrogenase complexed with the allenic cytokinin analog HA-1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokinin dehydrogenase 1, ...
著者Briozzo, P, Kopecny, D.
登録日2008-01-08
公開日2008-07-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mechanism-based inhibitors of cytokinin oxidase/dehydrogenase attack FAD cofactor
J.Mol.Biol., 380, 2008
2AAI
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Crystallographic refinement of ricin to 2.5 Angstroms
分子名称: RICIN (A CHAIN), RICIN (B CHAIN), alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Rutenber, E, Katzin, B.J, Montfort, W, Villafranca, J.E, Ernst, S.R, Collins, E.J, Mlsna, D, Monzingo, A.F, Ready, M.P, Robertus, J.D.
登録日1993-09-07
公開日1994-01-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystallographic refinement of ricin to 2.5 A.
Proteins, 10, 1991
3C0P
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Maize cytokinin oxidase/dehydrogenase complexed with the allenic cytokinin analog HA-8
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokinin dehydrogenase 1, ...
著者Briozzo, P, Kopecny, D.
登録日2008-01-21
公開日2008-07-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mechanism-based inhibitors of cytokinin oxidase/dehydrogenase attack FAD cofactor
J.Mol.Biol., 380, 2008

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