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1W55
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BU of 1w55 by Molmil
Structure of the Bifunctional IspDF from Campylobacter jejuni
分子名称: 1,2-ETHANEDIOL, CYTIDINE-5'-MONOPHOSPHATE, GERANYL DIPHOSPHATE, ...
著者Gabrielsen, M, Bond, C.S, Hunter, W.N.
登録日2004-08-05
公開日2004-10-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Hexameric Assembly of the Bifunctional Methylerythritol 2,4-Cyclodiphosphate Synthase and Protein-Protein Associations in the Deoxy-Xylulose-Dependent Pathway of Isoprenoid Precursor Biosynthesis
J.Biol.Chem., 279, 2004
2O2C
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BU of 2o2c by Molmil
Crystal structure of phosphoglucose isomerase from T. brucei containing glucose-6-phosphate in the active site
分子名称: GLUCOSE-6-PHOSPHATE, GLYCEROL, Glucose-6-phosphate isomerase, ...
著者Arsenieva, D, Mazock, G.H, Appavu, B.L, Jeffery, C.J.
登録日2006-11-29
公開日2007-11-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal structure of phosphoglucose isomerase from Trypanosoma brucei complexed with glucose-6-phosphate at 1.6 A resolution
Proteins, 74, 2008
3FE3
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BU of 3fe3 by Molmil
Crystal structure of the kinase MARK3/Par-1: T211A-S215A double mutant
分子名称: MAP/microtubule affinity-regulating kinase 3
著者Nugoor, C, Marx, A, Panneerselvam, S, Mandelkow, E.-M, Mandelkow, E.
登録日2008-11-27
公開日2008-12-16
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the kinase MARK3/Par-1: T211A-S215A double mutant
TO BE PUBLISHED
1RKN
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BU of 1rkn by Molmil
Solution structure of 1-110 fragment of Staphylococcal Nuclease with G88W mutation
分子名称: Thermonuclease
著者Liu, D.S, Feng, Y.G, Ye, K.Q, Shan, L, Wang, J.F.
登録日2003-11-22
公開日2004-12-07
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Folding stability and cooperativity of the three forms of 1-110 residues fragment of staphylococcal nuclease
Biophys.J., 92, 2007
3R8A
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BU of 3r8a by Molmil
X-ray crystal structure of the nuclear hormone receptor PPAR-gamma in a complex with a compound with dual PPAR gamma agonism and Angiotensin II Type I receptor antagonism activity
分子名称: 2-ethyl-5,7-dimethyl-3-{(1S)-5-[2-(1H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl}-3H-imidazo[4,5-b]pyridine, Peroxisome proliferator-activated receptor gamma
著者Ohren, J.F.
登録日2011-03-23
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Discovery of a Series of Imidazo[4,5-b]pyridines with Dual Activity at Angiotensin II Type 1 Receptor and Peroxisome Proliferator-Activated Receptor-gamma.
J.Med.Chem., 54, 2011
4APT
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BU of 4apt by Molmil
The structure of the AXH domain of ataxin-1.
分子名称: ATAXIN-1, SODIUM ION
著者Rees, M, Chen, Y.W, de Chiara, C, Pastore, A.
登録日2012-04-05
公開日2013-03-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Self-Assembly and Conformational Heterogeneity of the Axh Domain of Ataxin-1: An Unusual Example of a Chameleon Fold
Biophys.J., 104, 2013
1V0N
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BU of 1v0n by Molmil
Xylanase Xyn10a from Streptomyces lividans in complex with xylobio-isofagomine at pH 7.5
分子名称: 1,2-ETHANEDIOL, ENDO-1,4-BETA-XYLANASE A, IMIDAZOLE, ...
著者Gloster, T.M, Williams, S.J, Roberts, S, Tarling, C.A, Wicki, J, Withers, S.G, Davies, G.J.
登録日2004-03-31
公開日2004-08-16
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Atomic Resolution Analyses of the Binding of Xylobiose-Derived Deoxynojirimycin and Isofagomine to Xylanase Xyn10A
Chem.Commun.(Camb.), 16, 2004
4AMY
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BU of 4amy by Molmil
PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN WITH A COVALENTLY BOUND INHIBITOR IC-1
分子名称: 1-[(2R,5S)-2-tert-butyl-5-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidin-1-yl]-4-phenylbutan-1-one, GLYCEROL, PROLYL ENDOPEPTIDASE
著者Kaszuba, K, Rog, T, Danne, R, Canning, P, Fulop, V, Juhasz, T, Szeltner, Z, St-Pierre, J.F, Garcia-Horsman, A, Mannisto, P.T, Karttunen, M, Hokkanen, J, Bunker, A.
登録日2012-03-14
公開日2012-05-16
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular Dynamics, Crystallography and Mutagenesis Studies on the Substrate Gating Mechanism of Prolyl Oligopeptidase.
Biochimie, 94, 2012
6T9S
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BU of 6t9s by Molmil
Human Butyrylcholinesterase in complex with 2-(N-hydroxyimino)-N-[(1S)-3-{4-[(2-methyl-1H-imidazol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}-1- phenylpropyl]acetamide
分子名称: (2~{E})-2-hydroxyimino-~{N}-[(1~{S})-3-[4-[(2-methylimidazol-1-yl)methyl]-1,2,3-triazol-1-yl]-1-phenyl-propyl]ethanamid e, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(5-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Brazzolotto, X, Sinko, G, Marakovic, N, Knezevic, A.
登録日2019-10-28
公開日2020-07-15
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Enantioseparation, in vitro testing, and structural characterization of triple-binding reactivators of organophosphate-inhibited cholinesterases.
Biochem.J., 477, 2020
1V03
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BU of 1v03 by Molmil
Crystal structure of the Sorghum bicolor dhurrinase 1
分子名称: ACETONITRILE, DHURRINASE, PHENOL, ...
著者Moriniere, J, Verdoucq, L, Bevan, D.R, Esen, A, Henrissat, B, Czjzek, M.
登録日2004-03-22
公開日2004-05-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Determinants of Substrate Specificity in Family 1 Beta-Glucosidases: Novel Insights from the Crystal Structure of Sorghum Dhurrinase-1, a Plant Beta-Glucosidase with Strict Specificity, in Complex with its Natural Substrate
J.Biol.Chem., 279, 2004
2UVM
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BU of 2uvm by Molmil
Structure of PKBalpha PH domain in complex with a novel inositol headgroup surrogate, benzene 1,2,3,4-tetrakisphosphate
分子名称: BENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)], RAC-ALPHA SERINE/THREONINE-PROTEIN KINASE, SODIUM ION
著者Komander, D, Mills, S.J, Trusselle, M.N, Safrany, S.T, van Aalten, D.M.F, Potter, B.V.L.
登録日2007-03-12
公開日2007-04-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Novel Inositol Phospholipid Headgroup Surrogate Crystallised in the Pleckstrin Homology Domain of Protein Kinase Balpha.
Acs Chem.Biol., 2, 2007
1C8K
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BU of 1c8k by Molmil
FLAVOPIRIDOL INHIBITS GLYCOGEN PHOSPHORYLASE BY BINDING AT THE INHIBITOR SITE
分子名称: 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE, PROTEIN (GLYCOGEN PHOSPHORYLASE), PYRIDOXAL-5'-PHOSPHATE
著者Oikonomakos, N.G, Zographos, S.E, Skamnaki, V.T, Tsitsanou, K.E, Johnson, L.N.
登録日2000-05-11
公開日2000-05-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Flavopiridol inhibits glycogen phosphorylase by binding at the inhibitor site.
J.Biol.Chem., 275, 2000
1RDQ
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BU of 1rdq by Molmil
Hydrolysis of ATP in the crystal of Y204A mutant of cAMP-dependent protein kinase
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Yang, J, Ten Eyck, L.F, Xuong, N.H, Taylor, S.S.
登録日2003-11-05
公開日2004-04-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Crystal Structure of a cAMP-dependent Protein Kinase Mutant at 1.26A: New Insights into the Catalytic Mechanism.
J.Mol.Biol., 336, 2004
1C8S
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BU of 1c8s by Molmil
BACTERIORHODOPSIN D96N LATE M STATE INTERMEDIATE
分子名称: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, 2,10,23-TRIMETHYL-TETRACOSANE, BACTERIORHODOPSIN ("M" STATE INTERMEDIATE), ...
著者Luecke, H.
登録日1999-07-29
公開日1999-10-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural changes in bacteriorhodopsin during ion transport at 2 angstrom resolution.
Science, 286, 1999
1UZJ
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BU of 1uzj by Molmil
Integrin binding cbEGF22-TB4-cbEGF33 fragment of human fibrillin-1, holo form.
分子名称: CALCIUM ION, FIBRILLIN-1
著者Lee, S.S.J, Knott, V, Harlos, K, Handford, P.A, Stuart, D.I.
登録日2004-03-12
公開日2004-04-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of the Integrin Binding Fragment from Fibrillin-1 Gives New Insights Into Microfibril Organization
Structure, 12, 2004
5O42
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BU of 5o42 by Molmil
17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal 2,6-pyridinketone inhibitor.
分子名称: 17-beta-hydroxysteroid dehydrogenase 14, 2-fluoranyl-3-[6-[1-(4-fluoranyl-3-oxidanyl-phenyl)ethenyl]pyridin-2-yl]phenol, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Bertoletti, N, Heine, A, Braun, F, Klebe, G, Marchais-Oberwinkler, S.
登録日2017-05-25
公開日2018-06-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.
Eur J Med Chem, 155, 2018
1QAZ
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BU of 1qaz by Molmil
CRYSTAL STRUCTURE OF ALGINATE LYASE A1-III FROM SPHINGOMONAS SPECIES A1 AT 1.78A RESOLUTION
分子名称: PROTEIN (ALGINATE LYASE A1-III), SULFATE ION
著者Yoon, H.-J.
登録日1999-04-08
公開日1999-07-19
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal structure of alginate lyase A1-III from Sphingomonas species A1 at 1.78 A resolution.
J.Mol.Biol., 290, 1999
4HDO
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BU of 4hdo by Molmil
Crystal structure of the binary Complex of KRIT1 bound to the Rap1 GTPase
分子名称: GLYCEROL, Krev interaction trapped protein 1, MAGNESIUM ION, ...
著者Gingras, A.R.
登録日2012-10-02
公開日2013-07-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献The Structure of the Ternary Complex of Krev Interaction Trapped 1 (KRIT1) Bound to Both the Rap1 GTPase and the Heart of Glass (HEG1) Cytoplasmic Tail.
J.Biol.Chem., 288, 2013
4BK6
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BU of 4bk6 by Molmil
Crystal Structure of a dimeric variant of Bet v 1
分子名称: MAJOR POLLEN ALLERGEN BET V 1-A
著者Kofler, S.G, Brandstetter, H.
登録日2013-04-22
公開日2013-11-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Stabilization of the Dimeric Birch Pollen Allergen Bet V 1 Impacts its Immunological Properties
J.Biol.Chem., 289, 2014
2F2B
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BU of 2f2b by Molmil
Crystal structure of integral membrane protein Aquaporin AqpM at 1.68A resolution
分子名称: Aquaporin aqpM, GLYCEROL
著者Lee, J.K, Kozono, D, Remis, J, Kitagawa, Y, Agre, P, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP)
登録日2005-11-15
公開日2005-12-06
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural basis for conductance by the archaeal aquaporin AqpM at 1.68 A.
Proc.Natl.Acad.Sci.Usa, 102, 2005
2F3V
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BU of 2f3v by Molmil
Solution structure of 1-110 fragment of staphylococcal nuclease with V66W mutation
分子名称: Thermonuclease
著者Liu, D, Xie, T, Feng, Y, Shan, L, Ye, K, Wang, J.
登録日2005-11-22
公開日2006-12-05
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Folding stability and cooperativity of the three forms of 1-110 residues fragment of staphylococcal nuclease
Biophys.J., 92, 2007
1VPC
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BU of 1vpc by Molmil
C-TERMINAL DOMAIN (52-96) OF THE HIV-1 REGULATORY PROTEIN VPR, NMR, 1 STRUCTURE
分子名称: VPR PROTEIN
著者Schueler, W, De Rocquigny, H, Baudat, Y, Sire, J, Roques, B.P.
登録日1998-02-20
公開日1999-03-23
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR structure of the (52-96) C-terminal domain of the HIV-1 regulatory protein Vpr: molecular insights into its biological functions.
J.Mol.Biol., 285, 1999
3DCR
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BU of 3dcr by Molmil
X-ray structure of HIV-1 protease and hydrated form of ketomethylene isostere inhibitor
分子名称: Chemical analogue HIV-1 protease, N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide
著者Torbeev, V.Y, Mandal, K, Terechko, V.A, Kent, S.B.H.
登録日2008-06-04
公開日2008-08-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of chemically synthesized HIV-1 protease and a ketomethylene isostere inhibitor based on the p2/NC cleavage site
Bioorg.Med.Chem.Lett., 18, 2008
1QBS
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HIV-1 PROTEASE INHIBITORS WIIH LOW NANOMOLAR POTENCY
分子名称: HIV-1 PROTEASE, [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHEN YLMETHYL)]-2H-1,3-DIAZEPINONE
著者Ala, P, Chang, C.-H.
登録日1997-04-25
公開日1997-10-15
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Cyclic HIV protease inhibitors: synthesis, conformational analysis, P2/P2' structure-activity relationship, and molecular recognition of cyclic ureas.
J.Med.Chem., 39, 1996
3RSX
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Structure of Bace-1 (Beta-Secretase) in Complex with 6-(Thiophen-3-yl)quinolin-2-amine
分子名称: 6-(thiophen-3-yl)quinolin-2-amine, Beta-secretase 1, IODIDE ION
著者Sickmier, E.A.
登録日2011-05-02
公開日2011-08-31
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011

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