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4CPL
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BU of 4cpl by Molmil
Structure of the Neuraminidase from the B/Brisbane/60/2008 virus.
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, CALCIUM ION, ...
著者Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B.
登録日2014-02-07
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses.
J.Infect.Dis., 210, 2014
3WPB
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BU of 3wpb by Molmil
Crystal structure of horse TLR9 (unliganded form)
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, SULFATE ION, ...
著者Ohto, U, Tanji, H, Shimizu, T.
登録日2014-01-11
公開日2015-02-11
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis of CpG and inhibitory DNA recognition by Toll-like receptor 9
Nature, 520, 2015
3ZEF
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BU of 3zef by Molmil
Crystal structure of Prp8:Aar2 complex: second crystal form at 3.1 Angstrom resolution
分子名称: A1 CISTRON-SPLICING FACTOR AAR2, PRE-MRNA-SPLICING FACTOR 8
著者Galej, W.P, Oubridge, C, Newman, A.J, Nagai, K.
登録日2012-12-05
公開日2013-01-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal Structure of Prp8 Reveals Active Site Cavity of the Spliceosome
Nature, 493, 2013
3WIF
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Crystal structure of anti-prostaglandin E2 Fab fragment 9Cl-PGF2beta complex
分子名称: (Z)-7-[(1R,2R,3R,5R)-5-chloranyl-3-oxidanyl-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid, mAb Fab H fragment, mAb Fab L fragment
著者Sugahara, M, Ago, H, Saino, H, Miyano, M.
登録日2013-09-12
公開日2014-09-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of anti-Prostaglandin E2 Fab fragment with Prostaglandin E2
To be Published
3ZHS
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Crystal structure of the SucA domain of Mycobacterium smegmatis KGD, first post-decarboxylation intermediate from alpha-ketoglutarate
分子名称: (4S)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid, CALCIUM ION, MAGNESIUM ION, ...
著者Wagner, T, Barilone, N, Bellinzoni, M, Alzari, P.M.
登録日2012-12-24
公開日2013-11-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Dual Conformation of the Post-Decarboxylation Intermediate is Associated with Distinct Enzyme States in Mycobacterial Alpha-Ketoglutarate Decarboxylase (Kgd).
Biochem.J., 457, 2014
3ZTC
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BU of 3ztc by Molmil
pVHL54-213-EloB-EloC complex _ (2S,4R)-N-((1,1'-biphenyl)-4-ylmethyl)- 4-hydroxy-1-(2-(3-methylisoxazol-5-yl)acetyl)pyrrolidine-2- carboxamide
分子名称: (4R)-N-(BIPHENYL-4-YLMETHYL)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-L-PROLINAMIDE, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 2, ...
著者Van Molle, I, Buckley, D.L, Crews, C.M, Ciulli, A.
登録日2011-07-06
公開日2012-07-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Dissecting Fragment-Based Lead Discovery at the Von Hippel-Lindau Protein:Hypoxia Inducible Factor 1Alpha Protein-Protein Interface.
Chem.Biol., 19, 2012
3UID
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BU of 3uid by Molmil
Crystal Structure of Protein Ms6760 from Mycobacterium smegmatis
分子名称: Putative uncharacterized protein
著者Bajaj, R.A, Miallau, L, Cascio, D, Arbing, M, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2011-11-04
公開日2011-11-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.571 Å)
主引用文献Crystal structure of the toxin Msmeg_6760, the structural homolog of Mycobacterium tuberculosis Rv2035, a novel type II toxin involved in the hypoxic response.
Acta Crystallogr F Struct Biol Commun, 72, 2016
3ZU1
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BU of 3zu1 by Molmil
Structure of LysB29(Nepsilon omega-carboxyheptadecanoyl) des(B30) Human Insulin
分子名称: CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ...
著者Schluckebier, G, Whittingham, J.
登録日2011-07-13
公開日2011-08-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of Lysb29(Nepsilon Omega-Carboxyheptadecanoyl) Des(B30) Human Insulin
To be Published
3ZOE
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BU of 3zoe by Molmil
Crystal structure of FMN-binding protein (YP_005476) from Thermus thermophilus with bound p-hydroxybenzaldehyde
分子名称: FLAVIN MONONUCLEOTIDE, FLAVOREDOXIN, P-HYDROXYBENZALDEHYDE
著者Pavkov-Keller, T, Steinkellner, G, Gruber, C.C, Steiner, K, Winkler, C, Schwamberger, O, Schwab, H, Faber, K, Gruber, K.
登録日2013-02-21
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Identification of Promiscuous Ene-Reductase Activity by Mining Structural Databases Using Active Site Constellations.
Nat.Commun., 5, 2014
3UP2
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BU of 3up2 by Molmil
Aurora A in complex with RPM1686
分子名称: 1,2-ETHANEDIOL, 4-[(4-{[2-(trifluoromethoxy)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid, Aurora kinase A
著者Martin, M.P, Zhu, J.-Y, Schonbrunn, E.
登録日2011-11-17
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3001 Å)
主引用文献A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
3ZHQ
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BU of 3zhq by Molmil
Crystal structure of the H747A mutant of the SucA domain of Mycobacterium smegmatis KGD
分子名称: CALCIUM ION, MAGNESIUM ION, MULTIFUNCTIONAL 2-OXOGLUTARATE METABOLISM ENZYME, ...
著者Wagner, T, Barilone, N, Bellinzoni, M, Alzari, P.M.
登録日2012-12-24
公開日2013-11-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A Dual Conformation of the Post-Decarboxylation Intermediate is Associated with Distinct Enzyme States in Mycobacterial Alpha-Ketoglutarate Decarboxylase (Kgd).
Biochem.J., 457, 2014
3UV2
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BU of 3uv2 by Molmil
Crystal structure of the bromodomain of human nucleosome-remodeling factor subunit BPTF
分子名称: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, bromodomain of human nucleosome-remodeling factor subunit BPTF
著者Filippakopoulos, P, Picaud, S, Keates, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2011-11-29
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3ZY7
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BU of 3zy7 by Molmil
Crystal structure of computationally redesigned gamma-adaptin appendage domain forming a symmetric homodimer
分子名称: AP-1 COMPLEX SUBUNIT GAMMA-1, DI(HYDROXYETHYL)ETHER, ISOPROPYL ALCOHOL
著者Stranges, P.B, Machius, M, Miley, M.J, Tripathy, A, Kuhlman, B.
登録日2011-08-17
公開日2011-12-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Computational Design of a Symmetric Homodimer Using Beta-Strand Assembly.
Proc.Natl.Acad.Sci.USA, 108, 2011
3UO6
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BU of 3uo6 by Molmil
Aurora A in complex with YL5-083
分子名称: 1,2-ETHANEDIOL, 4-({4-[(2-chlorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid, Aurora kinase A
著者Martin, M.P, Zhu, J.-Y, Schonbrunn, E.
登録日2011-11-16
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8002 Å)
主引用文献A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
3UOJ
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BU of 3uoj by Molmil
Aurora A in complex with RPM1715
分子名称: 4-({4-[(2-cyanophenyl)amino]pyrimidin-2-yl}amino)benzoic acid, Aurora kinase A
著者Martin, M.P, Zhu, J.-Y, Schonbrunn, E.
登録日2011-11-16
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9003 Å)
主引用文献A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
3V1C
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BU of 3v1c by Molmil
Crystal structure of de novo designed MID1-zinc
分子名称: Computational design, MID1-zinc, L(+)-TARTARIC ACID, ...
著者Der, B.S, Machius, M, Miley, M.J, Kuhlman, B.
登録日2011-12-09
公開日2012-01-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.129 Å)
主引用文献Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer.
J.Am.Chem.Soc., 134, 2012
4CYN
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BU of 4cyn by Molmil
Leishmania major N-myristoyltransferase in complex with an aminoacylpyrrolidine inhibitor (2b)
分子名称: (3R)-3-amino-4-(4-chlorophenyl)-1-[(3R,4S)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ...
著者Hutton, J.A, Goncalves, V, Brannigan, J.A, Paape, D, Waugh, T, Roberts, S.M, Bell, A.S, Wilkinson, A.J, Smith, D.F, Leatherbarrow, R.J, Tate, E.W.
登録日2014-04-14
公開日2014-10-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-Based Design of Potent and Selective Leishmania N- Myristoyltransferase Inhibitors.
J.Med.Chem., 57, 2014
3V1L
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BU of 3v1l by Molmil
Crystal Structure of the S112A/H265Q mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400
分子名称: 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, MALONIC ACID
著者Ghosh, S, Bolin, J.T.
登録日2011-12-09
公開日2012-03-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Identification of an Acyl-Enzyme Intermediate in a meta-Cleavage Product Hydrolase Reveals the Versatility of the Catalytic Triad.
J.Am.Chem.Soc., 134, 2012
3V4E
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BU of 3v4e by Molmil
Crystal Structure of the galactoside O-acetyltransferase in complex with CoA
分子名称: COENZYME A, DI(HYDROXYETHYL)ETHER, Galactoside O-acetyltransferase, ...
著者Knapik, A.A, Shumilin, I.A, Luo, H.-B, Chruszcz, M, Zimmerman, M.D, Cymborowski, M, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-12-14
公開日2012-01-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Biophysical analysis of the putative acetyltransferase SACOL2570 from methicillin-resistant Staphylococcus aureus.
J.Struct.Funct.Genom., 14, 2013
4CPO
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BU of 4cpo by Molmil
Structure of the Neuraminidase from the B/Lyon/CHU/15.216/2011 virus
分子名称: 1,2-ETHANEDIOL, 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Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B.
登録日2014-02-08
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses.
J.Infect.Dis., 210, 2014
4CPY
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BU of 4cpy by Molmil
Structure of the Neuraminidase from the B/Lyon/CHU/15.216/2011 virus in complex with Oseltamivir
分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B.
登録日2014-02-09
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses.
J.Infect.Dis., 210, 2014
3V2J
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BU of 3v2j by Molmil
Effect of Sucrose and Glycerol as Cryoprotectans, on the Inhibition of Human Carbonic Anhydrase II
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION
著者Aggarwal, M, McKenna, A.
登録日2011-12-12
公開日2012-12-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Effect of Sucrose and Glycerol as Cryoprotectans, on the Inhibition of Human Carbonic Anhydrase II
To be Published
3V5L
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Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 542
分子名称: 3-[3-(4-methoxyphenyl)-2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
著者McLean, L.R, Zhang, Y.
登録日2011-12-16
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
4D5Q
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Hypocrea jecorina Cel7A (wild type) soaked with xylopentaose.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ...
著者Momeni, M.H, Stahlberg, J, Hansson, H.
登録日2014-11-07
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural Insights Into the Inhibition of Cellobiohydrolase Cel7A by Xylooligosaccharides.
FEBS J., 282, 2015
4CYO
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Leishmania major N-myristoyltransferase in complex with a hybrid inhibitor (compound 21).
分子名称: GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, N-{5-[(3S,4R)-1-[(3R)-3-amino-4-(4-chlorophenyl)butanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]-2-chlorophenyl}-2-(4-fluorophenyl)acetamide, ...
著者Hutton, J.A, Goncalves, V, Brannigan, J.A, Paape, D, Waugh, T, Roberts, S.M, Bell, A.S, Wilkinson, A.J, Smith, D.F, Leatherbarrow, R.J, Tate, E.W.
登録日2014-04-14
公開日2014-10-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Based Design of Potent and Selective Leishmania N- Myristoyltransferase Inhibitors.
J.Med.Chem., 57, 2014

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