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3L1S
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3-Aryl-4-(arylhydrazono)-1H-pyrazol-5-ones: Highly ligand efficient and potent inhibitors of GSK3
分子名称: (4E)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one, Glycogen synthase kinase-3 beta, PHOSPHATE ION
著者Haar, T.E.
登録日2009-12-14
公開日2010-03-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献3-Aryl-4-(arylhydrazono)-1H-pyrazol-5-ones: Highly ligand efficient and potent inhibitors of GSK3beta.
Bioorg.Med.Chem.Lett., 20, 2010
1Q6Q
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Structure of 3-keto-L-gulonate 6-phosphate decarboxylase with bound xylitol 5-phosphate
分子名称: 3-keto-L-gulonate 6-phosphate decarboxylase, L-XYLITOL 5-PHOSPHATE, MAGNESIUM ION
著者Wise, E.L, Yew, W.S, Gerlt, J.A, Rayment, I.
登録日2003-08-13
公開日2003-10-28
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (1.695 Å)
主引用文献Structural Evidence for a 1,2-Enediolate Intermediate in the Reaction Catalyzed by 3-Keto-l-Gulonate 6-Phosphate Decarboxylase, a Member of the Orotidine 5'-Monophosphate Decarboxylase Suprafamily
Biochemistry, 42, 2003
3EP5
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BU of 3ep5 by Molmil
Human AdoMetDC E178Q mutant with no putrescine bound
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PYRUVIC ACID, S-adenosylmethionine decarboxylase alpha chain, ...
著者Bale, S, Lopez, M.M, Makhatadze, G.I, Fang, Q, Pegg, A.E, Ealick, S.E.
登録日2008-09-29
公開日2008-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural Basis for Putrescine Activation of Human S-Adenosylmethionine Decarboxylase.
Biochemistry, 47, 2008
4CDW
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BU of 4cdw by Molmil
Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP4
分子名称: 1-[(3S)-5-(4-iodanylphenoxy)-3-methyl-pentyl]-3-pyridin-4-yl-imidazolidin-2-one, SODIUM ION, VP1, ...
著者De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I.
登録日2013-11-06
公開日2014-02-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules
Nat.Struct.Mol.Biol., 21, 2014
1XM2
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Crystal structure of Human PRL-1
分子名称: SULFATE ION, Tyrosine Phosphatase
著者Jeong, D.G, Kim, S.J, Kim, J.H, Son, J.H, Ryu, S.E.
登録日2004-10-01
公開日2005-01-25
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Trimeric structure of PRL-1 phosphatase reveals an active enzyme conformation and regulation mechanisms
J.Mol.Biol., 345, 2005
4BY6
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BU of 4by6 by Molmil
Yeast Not1-Not2-Not5 complex
分子名称: ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Bhaskar, V, Basquin, J, Conti, E.
登録日2013-07-18
公開日2013-10-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.797 Å)
主引用文献Structure and RNA-Binding Properties of the not1-not2-not5 Module of the Yeast Ccr4-not Complex
Nat.Struct.Mol.Biol., 20, 2013
1QCW
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Flavocytochrome B2, ARG289LYS mutant
分子名称: FLAVOCYTOCHROME B2, N-SULFO-FLAVIN MONONUCLEOTIDE
著者Mowat, C.G, Durley, R.C.E, Pike, A.D, Barton, J.D, Chen, Z.-W, Mathews, F.S, Lederer, F, Reid, G.A, Chapman, S.K.
登録日1999-05-07
公開日1999-05-24
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Kinetic and crystallographic studies on the active site Arg289Lys mutant of flavocytochrome b2 (yeast L-lactate dehydrogenase)
Biochemistry, 39, 2000
2OMX
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BU of 2omx by Molmil
Crystal structure of InlA S192N G194S+S/hEC1 complex
分子名称: CALCIUM ION, CHLORIDE ION, Epithelial-cadherin, ...
著者Wollert, T, Heinz, D.W, Schubert, W.D.
登録日2007-01-23
公開日2007-08-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Thermodynamically reengineering the listerial invasion complex InlA/E-cadherin.
Proc.Natl.Acad.Sci.Usa, 104, 2007
4B2P
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BU of 4b2p by Molmil
RadA C-terminal ATPase domain from Pyrococcus furiosus bound to GTP
分子名称: DNA REPAIR AND RECOMBINATION PROTEIN RADA, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Marsh, M.E, Ehebauer, M.T, Scott, D, Abell, C, Blundell, T.L, Hyvonen, M.
登録日2012-07-17
公開日2013-07-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献ATP Half-Sites in Rada and Rad51 Recombinases Bind Nucleotides
FEBS Open Bio, 6, 2016
7MDI
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BU of 7mdi by Molmil
Structure of the Neisseria gonorrhoeae ribonucleotide reductase in the inactive state
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Levitz, T.S, Drennan, C.L, Brignole, E.J.
登録日2021-04-05
公開日2022-01-05
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Effects of chameleon dispense-to-plunge speed on particle concentration, complex formation, and final resolution: A case study using the Neisseria gonorrhoeae ribonucleotide reductase inactive complex.
J.Struct.Biol., 214, 2021
1FXV
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BU of 1fxv by Molmil
PENICILLIN ACYLASE MUTANT IMPAIRED IN CATALYSIS WITH PENICILLIN G IN THE ACTIVE SITE
分子名称: CALCIUM ION, PENICILLIN ACYLASE, PENICILLIN G
著者Alkema, W.B, Hensgens, C.M, Kroezinga, E.H, de Vries, E, Floris, R, van der Laan, J.M, Dijkstra, B.W, Janssen, D.B.
登録日2000-09-27
公開日2001-03-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Characterization of the beta-lactam binding site of penicillin acylase of Escherichia coli by structural and site-directed mutagenesis studies.
Protein Eng., 13, 2000
2PHB
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BU of 2phb by Molmil
An Orally Efficacious Factor Xa Inhibitor
分子名称: (2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE, CALCIUM ION, Coagulation factor X, ...
著者Zhang, E, Kohrt, J.T, Bigge, C.F, Finzel, B.C.
登録日2007-04-10
公開日2008-03-25
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The discovery of (2R,4R)-N-(4-chlorophenyl)-N- (2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)-4-methoxypyrrolidine-1,2-dicarboxamide (PD 0348292), an orally efficacious factor Xa inhibitor
Chem.Biol.Drug Des., 70, 2007
1XOC
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BU of 1xoc by Molmil
The structure of the oligopeptide-binding protein, AppA, from Bacillus subtilis in complex with a nonapeptide.
分子名称: Nonapeptide VDSKNTSSW, Oligopeptide-binding protein appA, ZINC ION
著者Levdikov, V.M, Blagova, E.V, Brannigan, J.A, Wright, L, Vagin, A.A, Wilkinson, A.J.
登録日2004-10-06
公開日2005-01-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The structure of the oligopeptide-binding protein, AppA, from Bacillus subtilis in complex with a nonapeptide.
J.Mol.Biol., 345, 2005
1UXV
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BU of 1uxv by Molmil
Structural basis for allosteric regulation and substrate specificity of the non-phosphorylating glyceraldehyde-3-phosphate dehydrogenase (GAPN) from Thermoproteus tenax
分子名称: ADENOSINE MONOPHOSPHATE, GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE (NADP+), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Lorentzen, E, Hensel, R, Pohl, E.
登録日2004-03-01
公開日2004-08-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural Basis of Allosteric Regulation and Substrate Specificity of the Non-Phosphorylating Glyceraldehyde 3-Phosphate Dehydrogenase from Thermoproteus Tenax
J.Mol.Biol., 341, 2004
1ZRB
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BU of 1zrb by Molmil
Thrombin in complex with an azafluorenyl inhibitor 23b
分子名称: 11-peptide hirudin fragment, 3-AZA-9-HYDROXY-9-FLUORENYLCARBONYL-L-PROLYL-2-AMINOMETHYL-5-CHLOROBENZYLAMIDE, N-OXIDE, ...
著者Stauffer, K.J, Williams, P.D, Selnick, H.G, Nantermet, P.G, Newton, C.L, Homnick, C.F, Zrada, M.M, Lewis, S.D, Lucas, B.J, Krueger, J.A, Pietrak, B.L, Lyle, E.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Wallace, A.A, Sitko, G.R, Cook, J.J, Holahan, M.A, Stranieri-Michener, M, Leonard, Y.M, Lynch Jr, J.J, McMasters, D.R, Yan, Y.
登録日2005-05-19
公開日2005-06-07
最終更新日2013-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献9-hydroxyazafluorenes and their use in thrombin inhibitors
J.Med.Chem., 48, 2005
5Z7R
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BU of 5z7r by Molmil
Crystal structure of crotonase from Clostridium acetobutylicum
分子名称: Short-chain-enoyl-CoA hydratase
著者Kim, E.-J, Kim, Y.-J, Kim, K.-J.
登録日2018-01-30
公開日2018-02-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights into substrate specificity of crotonase from the n-butanol producing bacterium Clostridium acetobutylicum.
Biochem. Biophys. Res. Commun., 451, 2014
4BA9
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BU of 4ba9 by Molmil
The structural basis for the coordination of Y-family Translesion DNA Polymerases by Rev1
分子名称: DNA POLYMERASE KAPPA, DNA REPAIR PROTEIN REV1, MAGNESIUM ION, ...
著者Grummitt, C.G, Kilkenny, M.L, Frey, A, Roe, S.M, Oliver, A.W, Sale, J.E, Pearl, L.H.
登録日2012-09-12
公開日2013-09-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献The Structural Basis for the Coordination of Y- Family Translesion DNA Polymerases by Rev1
To be Published
2Q2Q
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BU of 2q2q by Molmil
Structure of D-3-Hydroxybutyrate Dehydrogenase from Pseudomonas putida
分子名称: Beta-D-hydroxybutyrate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Paithankar, K.S, Feller, C, Kuettner, E.B, Keim, A, Grunow, M, Strater, N.
登録日2007-05-29
公開日2007-10-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Cosubstrate-induced dynamics of D-3-hydroxybutyrate dehydrogenase from Pseudomonas putida.
Febs J., 274, 2007
3KZ4
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BU of 3kz4 by Molmil
Crystal Structure of the Rotavirus Double Layered Particle
分子名称: Inner capsid protein VP2, Intermediate capsid protein VP6, ZINC ION
著者Mcclain, B, Settembre, E.C, Bellamy, A.R, Harrison, S.C.
登録日2009-12-07
公開日2010-03-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献X-ray crystal structure of the rotavirus inner capsid particle at 3.8 A resolution.
J.Mol.Biol., 397, 2010
5ZA2
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Fox-4 beta-lactamase complexed with avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase, ...
著者Nukaga, M, Hoshino, T, Papp-Wallace, K.M, Bonomo, R.A.
登録日2018-02-06
公開日2018-03-07
最終更新日2018-05-09
実験手法X-RAY DIFFRACTION (1.503 Å)
主引用文献Probing the Mechanism of Inactivation of the FOX-4 Cephamycinase by Avibactam
Antimicrob. Agents Chemother., 62, 2018
2Q4Y
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Ensemble refinement of the protein crystal structure of At1g77540-coenzyme A complex
分子名称: COENZYME A, Uncharacterized protein At1g77540
著者Levin, E.J, Kondrashov, D.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
登録日2007-05-31
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Ensemble refinement of protein crystal structures: validation and application.
Structure, 15, 2007
3KIK
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BU of 3kik by Molmil
Sgf11:Sus1 complex
分子名称: Protein SUS1, SAGA-associated factor 11
著者Stewart, M, Ellisdon, A.M.
登録日2009-11-02
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for the interaction between yeast Spt-Ada-Gcn5 acetyltransferase (SAGA) complex components Sgf11 and Sus1
J.Biol.Chem., 285, 2010
1PZK
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Cholera Toxin B-Pentamer Complexed With N-Acyl Phenyl Galactoside 9h
分子名称: Cholera Toxin B Subunit, N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-1-YL]-PROPYL}-3-(2-THIOPHEN-2-YL-ACETYLAMINO)-5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLOXY)-BENZAMIDE
著者Mitchell, D.D, Pickens, J.C, Korotkov, K, Fan, E, Hol, W.G.J.
登録日2003-07-11
公開日2004-03-09
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献3,5-Substituted phenyl galactosides as leads in designing effective cholera toxin antagonists; synthesis and crystallographic studies
Bioorg.Med.Chem., 12, 2004
5TPX
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Bromodomain from Plasmodium Faciparum Gcn5, complexed with compound
分子名称: (1S,2S)-N~1~,N~1~-dimethyl-N~2~-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-1-phenylpropane-1,2-diamine, CHLORIDE ION, Histone acetyltransferase GCN5, ...
著者Lin, Y.H, Hou, C.F.D, MOUSTAKIM, M, DIXON, D.J, Loppnau, P, Tempel, W, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, BRENNAN, P.E, Walker, J.R, Structural Genomics Consortium (SGC)
登録日2016-10-21
公開日2017-01-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of a PCAF Bromodomain Chemical Probe.
Angew. Chem. Int. Ed. Engl., 56, 2017
4BGV
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1.8 A resolution structure of the malate dehydrogenase from Picrophilus torridus in its apo form
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Talon, R, Madern, D, Girard, E.
登録日2013-03-28
公開日2014-04-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.811 Å)
主引用文献Insight Into Structural Evolution of Extremophilic Proteins
To be Published

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