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2VUE
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BU of 2vue by Molmil
Human serum albumin complexed with 4Z,15E-bilirubin-IX-alpha
分子名称: BILIVERDINE IX ALPHA, SERUM ALBUMIN
著者Zunszain, P.A, Ghuman, J, Curry, S.
登録日2008-05-24
公開日2008-06-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Crystallographic Analysis of Human Serum Albumin Complexed with 4Z,15E-Bilirubin-Ixalpha.
J.Mol.Biol., 381, 2008
3NFB
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BU of 3nfb by Molmil
Crystal structure of the N-terminal beta-aminopeptidase BapA in complex with hydrolyzed ampicillin
分子名称: (2S,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-peptidyl aminopeptidase, GLYCEROL, ...
著者Merz, T, Heck, T, Geueke, B, Kohler, H.-P.E, Gruetter, M.G.
登録日2010-06-10
公開日2011-09-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure and inhibition of the beta-aminopeptidase BapA, a new ampicillin-recognizing member of the N-terminal nucleophile hydrolase family
To be Published
3PGH
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BU of 3pgh by Molmil
CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2) COMPLEXED WITH A NON-SELECTIVE INHIBITOR, FLURBIPROFEN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLOOXYGENASE-2, FLURBIPROFEN, ...
著者Kurumbail, R, Stallings, W.
登録日1996-12-18
公開日1997-12-24
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.
Nature, 384, 1996
4BCD
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BU of 4bcd by Molmil
PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN WITH A NON-COVALENTLY BOUND P2-substituted N-acyl-prolylpyrrolidine inhibitor
分子名称: 1-[(2S,4S)-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-pyrrolidin-1-ylcarbonyl-pyrrolidin-1-yl]-4-phenyl-butan-1-one, GLYCEROL, PROLYL ENDOPEPTIDASE, ...
著者VanDerVeken, P, Fulop, V, Rea, D, Gerard, M, VanElzen, R, Joossens, J, Cheng, J.D, Baekelandt, V, DeMeester, I, Lambeir, A.M, Augustyns, K.
登録日2012-10-01
公開日2013-03-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献P2-Substituted N-Acylprolylpyrrolidine Inhibitors of Prolyl Oligopeptidase: Biochemical Evaluation, Binding Mode Determination, and Assessment in a Cellular Model of Synucleinopathy.
J.Med.Chem., 55, 2012
4BCB
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BU of 4bcb by Molmil
PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN WITH A COVALENTLY BOUND P2- substituted N-acyl-prolylpyrrolidine inhibitor
分子名称: (5R,6R,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-5-CYCLOHEXYL-6-HYDROXY-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE, GLYCEROL, PROLYL ENDOPEPTIDASE, ...
著者VanDerVeken, P, Fulop, V, Rea, D, Gerard, M, VanElzen, R, Joossens, J, Cheng, J.D, Baekelandt, V, DeMeester, I, Lambeir, A.M, Augustyns, K.
登録日2012-10-01
公開日2013-03-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献P2-Substituted N-Acylprolylpyrrolidine Inhibitors of Prolyl Oligopeptidase: Biochemical Evaluation, Binding Mode Determination, and Assessment in a Cellular Model of Synucleinopathy.
J.Med.Chem., 55, 2012
3NDV
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BU of 3ndv by Molmil
Crystal structure of the N-terminal beta-aminopeptidase BapA in complex with ampicillin
分子名称: (2S,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, Beta-peptidyl aminopeptidase, ...
著者Merz, T, Heck, T, Geueke, B, Kohler, H.-P.E, Gruetter, M.G.
登録日2010-06-08
公開日2011-09-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures and inhibition of the beta-aminopeptidase BapA, a new ampicillin-recognizing member of the N-terminal nucleophile hydrolase family
To be Published
2WP8
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BU of 2wp8 by Molmil
yeast rrp44 nuclease
分子名称: CHLORIDE ION, EXOSOME COMPLEX COMPONENT RRP45, EXOSOME COMPLEX COMPONENT SKI6, ...
著者Basquin, J, Bonneau, F, Ebert, J, Lorentzen, E, Conti, E.
登録日2009-08-03
公開日2009-11-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The Yeast Exosome Functions as a Macromolecular Cage to Channel RNA Substrates for Degradation.
Cell(Cambridge,Mass.), 139, 2009
4BCC
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BU of 4bcc by Molmil
PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN WITH A COVALENTLY BOUND P2- substituted N-acyl-prolylpyrrolidine inhibitor
分子名称: GLYCEROL, PROLYL ENDOPEPTIDASE, TRIS(HYDROXYETHYL)AMINOMETHANE, ...
著者VanDerVeken, P, Fulop, V, Rea, D, Gerard, M, VanElzen, R, Joossens, J, Cheng, J.D, Baekelandt, V, DeMeester, I, Lambeir, A.M, Augustyns, K.
登録日2012-10-01
公開日2013-03-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献P2-Substituted N-Acylprolylpyrrolidine Inhibitors of Prolyl Oligopeptidase: Biochemical Evaluation, Binding Mode Determination, and Assessment in a Cellular Model of Synucleinopathy.
J.Med.Chem., 55, 2012
3QMO
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BU of 3qmo by Molmil
X-ray crystal structure of NS-398 bound to the cyclooxygenase channel of cyclooxygenase-2
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 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Vecchio, A.J, Malkowski, M.G.
登録日2011-02-04
公開日2011-08-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The structure of NS-398 bound to cyclooxygenase-2.
J.Struct.Biol., 176, 2011
4D4B
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BU of 4d4b by Molmil
The catalytic domain, BcGH76, of Bacillus circulans Aman6 in complex with MSMSMe
分子名称: 1,2-ETHANEDIOL, ALPHA-1,6-MANNANASE, alpha-D-mannopyranose-(1-6)-methyl 1,6-dithio-alpha-D-mannopyranoside
著者Thompson, A.J, Speciale, G, Iglesias-Fernandez, J, Hakki, Z, Belz, T, Cartmell, A, Spears, R.J, Stepper, J, Gilbert, H.J, Rovira, C, Williams, S.J, Davies, G.J.
登録日2014-10-27
公開日2015-03-25
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Evidence for a Boat Conformation at the Transition State of Gh76 Alpha-1,6-Mannanases- Key Enzymes in Bacterial and Fungal Mannoprotein Metabolism
Angew.Chem.Int.Ed.Engl., 54, 2015
4COX
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BU of 4cox by Molmil
CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2) COMPLEXED WITH A NON-SELECTIVE INHIBITOR, INDOMETHACIN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLOOXYGENASE-2, INDOMETHACIN, ...
著者Kurumbail, R, Stallings, W.
登録日1996-12-18
公開日1997-12-24
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.
Nature, 384, 1996
4DGI
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BU of 4dgi by Molmil
Structure of POM1 FAB fragment complexed with human PrPc Fragment 120-230
分子名称: Major prion protein, POM1 Fab Heavy chain, POM1 Fab Light chain, ...
著者Baral, P.K, Wieland, B, Swayampakula, M, James, M.N.
登録日2012-01-26
公開日2012-10-31
最終更新日2013-01-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural studies on the folded domain of the human prion protein bound to the Fab fragment of the antibody POM1.
Acta Crystallogr.,Sect.D, 68, 2012
4DWW
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BU of 4dww by Molmil
Crystal Structure of Nattokinase from Bacillus subtilis natto
分子名称: CALCIUM ION, Subtilisin NAT
著者Chatake, T, Yanagisawa, Y.
登録日2012-02-27
公開日2012-03-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Purification, crystallization and preliminary X-ray diffraction experiment of nattokinase from Bacillus subtilis natto
Acta Crystallogr.,Sect.F, 66, 2010
4GGG
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BU of 4ggg by Molmil
Crystal structure of V66A/L68V CzrA in the Zn(II)bound state.
分子名称: CHLORIDE ION, Repressor protein, ZINC ION
著者Campanello, G.C, Ma, Z, Grossoehme, N.E, Chakrovorty, D.K, Guerra, A.J, Ye, Y, Dann III, C.E, Merz Jr, K.M, Giedroc, D.P.
登録日2012-08-06
公開日2013-02-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Allosteric inhibition of a zinc-sensing transcriptional repressor: insights into the arsenic repressor (ArsR) family.
J.Mol.Biol., 425, 2013
2LU0
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BU of 2lu0 by Molmil
NMR solution structure of the kappa-zeta region of S.cerevisiae group II intron ai5(gamma)
分子名称: RNA (49-MER)
著者Donghi, D, Pechlaner, M, Finazzo, C, Knobloch, B, Sigel, R.K.O.
登録日2012-06-05
公開日2013-04-10
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The structural stabilization of the kappa three-way junction by Mg(II) represents the first step in the folding of a group II intron.
Nucleic Acids Res., 41, 2013
2M8M
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BU of 2m8m by Molmil
NMR assignment and structure of a peptide derived from the membrane proximal external region of HIV-1 gp41 in the presence of hexafluoroisopropanol
分子名称: Transmembrane protein gp41
著者Serrano, S, Huarte, N, Nieva, J.L, Jimenez, M.
登録日2013-05-23
公開日2014-01-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure and Immunogenicity of a Peptide Vaccine, Including the Complete HIV-1 gp41 2F5 Epitope: IMPLICATIONS FOR ANTIBODY RECOGNITION MECHANISM AND IMMUNOGEN DESIGN.
J.Biol.Chem., 289, 2014
2MUS
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BU of 2mus by Molmil
HADDOCK calculated model of LIN5001 bound to the HET-s amyloid
分子名称: 3''',4'-bis(carboxymethyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene-5,5''''-dicarboxylic acid, Heterokaryon incompatibility protein s
著者Hermann, U.S, Schuetz, A.K, Shirani, H, Saban, D, Nuvolone, M, Huang, D.H, Li, B, Ballmer, B, Aslund, A.K.O, Mason, J.J, Rushing, E, Budka, H, Hammarstrom, P, Bockmann, A, Caflisch, A, Meier, B.H, Nilsson, P.K.R, Hornemann, S, Aguzzi, A.
登録日2014-09-16
公開日2017-02-01
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure-based drug design identifies polythiophenes as antiprion compounds.
Sci Transl Med, 7, 2015
1TXE
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BU of 1txe by Molmil
Solution structure of the active-centre mutant Ile14Ala of the histidine-containing phosphocarrier protein (HPr) from Staphylococcus carnosus
分子名称: Phosphocarrier protein HPr
著者Moeglich, A, Koch, B, Hengstenberg, W, Brunner, E, Kalbitzer, H.R, Structural Proteomics in Europe (SPINE)
登録日2004-07-04
公開日2005-03-08
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the active-centre mutant I14A of the histidine-containing phosphocarrier protein from Staphylococcus carnosus
Eur.J.Biochem., 271, 2004
2NZ9
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BU of 2nz9 by Molmil
Crystal structure of botulinum neurotoxin type A complexed with monoclonal antibody AR2
分子名称: AR2 monoclonal antibody, Botulinum neurotoxin type A, CALCIUM ION, ...
著者Stevens, R.C, Arndt, J.W.
登録日2006-11-22
公開日2006-12-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.79 Å)
主引用文献Molecular evolution of antibody cross-reactivity for two subtypes of type A botulinum neurotoxin.
Nat.Biotechnol., 25, 2007
2NYY
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BU of 2nyy by Molmil
Crystal structure of botulinum neurotoxin type A complexed with monoclonal antibody CR1
分子名称: Botulinum neurotoxin type A, CALCIUM ION, CR1 monoclonal antibody, ...
著者Stevens, R.C, Arndt, J.W.
登録日2006-11-21
公開日2006-12-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Molecular evolution of antibody cross-reactivity for two subtypes of type A botulinum neurotoxin.
Nat.Biotechnol., 25, 2007
1V29
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BU of 1v29 by Molmil
Crystal structure of Nitrile hydratase from a thermophile Bacillus smithii
分子名称: COBALT (II) ION, nitrile hydratase a chain, nitrile hydratase b chain
著者Hourai, S, Miki, M, Takashima, Y, Mitsuda, S, Yanagi, K.
登録日2003-10-09
公開日2004-10-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of nitrile hydratase from a thermophilic Bacillus smithii
Biochem.Biophys.Res.Commun., 312, 2003
3UE8
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BU of 3ue8 by Molmil
Kynurenine Aminotransferase II Inhibitors
分子名称: (5-hydroxy-4-{[(1-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate, CHLORIDE ION, Kynurenine/alpha-aminoadipate aminotransferase, ...
著者Dounay, A.B, Anderson, M, Bechle, B.M, Campbell, B.M, Claffey, M.M, Evdokimov, A, Edelweiss, E, Fonseca, K.R, Gan, X, Ghosh, S, Hayward, M.M, Horner, W, Kim, J.Y, McAllister, L.A, Pandit, J, Paradis, V, Parikh, V.D, Reese, M.R, Rong, S.B, Salafia, M.A, Schuyten, K, Strick, C.A, Tuttle, J.B, Valentine, J, Wang, H, Zawadzke, L.E, Verhoest, P.R.
登録日2011-10-28
公開日2012-02-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.22 Å)
主引用文献Discovery of Brain-Penetrant, Irreversible Kynurenine Aminotransferase II Inhibitors for Schizophrenia.
ACS Med Chem Lett, 3, 2012
2YGD
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BU of 2ygd by Molmil
Molecular architectures of the 24meric eye lens chaperone alphaB- crystallin elucidated by a triple hybrid approach
分子名称: ALPHA-CRYSTALLIN B CHAIN
著者Braun, N, Zacharias, M, Peschek, J, Kastenmueller, A, Zou, J, Hanzlik, M, Haslbeck, M, Rappsilber, J, Buchner, J, Weinkauf, S.
登録日2011-04-13
公開日2011-12-07
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (9.4 Å)
主引用文献Multiple Molecular Architectures of the Eye Lens Chaperone Alpha Beta-Crystallin Elucidated by a Triple Hybrid Approach
Proc.Natl.Acad.Sci.USA, 108, 2011
6EZ0
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BU of 6ez0 by Molmil
Specific phosphorothioate substitution within domain 6 of a group II intron ribozyme leads to changes in local structure and metal ion binding
分子名称: RNA (27-MER)
著者Erat, M.C, Besic, E, Oberhuber, M, Johannsen, S, Sigel, R.K.O.
登録日2017-11-13
公開日2018-01-03
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Specific phosphorothioate substitution within domain 6 of a group II intron ribozyme leads to changes in local structure and metal ion binding.
J. Biol. Inorg. Chem., 23, 2018
3BXD
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BU of 3bxd by Molmil
Crystal structure of Mouse Myo-inositol oxygenase (re-refined)
分子名称: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, FE (III) ION, FORMIC ACID, ...
著者Hallberg, B.M.
登録日2008-01-13
公開日2008-02-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and biophysical characterization of human myo-inositol oxygenase.
J.Biol.Chem., 283, 2008

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