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4JR0
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Human procaspase-3 bound to Ac-DEVD-CMK
分子名称: Ac-DEVD-CMK, CHLORIDE ION, Procaspase-3
著者Thomsen, N.D, Wells, J.A.
登録日2013-03-20
公開日2013-05-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献Structural snapshots reveal distinct mechanisms of procaspase-3 and -7 activation.
Proc.Natl.Acad.Sci.USA, 110, 2013
4JRH
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BU of 4jrh by Molmil
Crystal structure of beta-ketoacyl-ACP synthase II (FabF) from Vibrio Cholerae (space group P43) at 2.2 Angstrom
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, ACETATE ION
著者Hou, J, Chruszcz, M, Shabalin, I.G, Zheng, H, Cooper, D.R, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-03-21
公開日2013-04-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献

4JLH
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BU of 4jlh by Molmil
HIV-1 Integrase Catalytic Core Domain A128T Mutant Complexed with Allosteric Inhibitor
分子名称: (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid, HIV-1 Integrase catalytic core domain, SULFATE ION
著者Feng, L, Kvaratskhelia, M.
登録日2013-03-12
公開日2013-05-01
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The A128T Resistance Mutation Reveals Aberrant Protein Multimerization as the Primary Mechanism of Action of Allosteric HIV-1 Integrase Inhibitors.
J.Biol.Chem., 288, 2013
4JUT
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BU of 4jut by Molmil
Crystal structure of a mutant fragment of Human HSPB6
分子名称: GLYCEROL, Heat shock protein beta-6
著者Weeks, S.D, Baranova, E.V, Beelen, S, Heirbaut, M, Gusev, N.B, Strelkov, S.V.
登録日2013-03-25
公開日2014-02-05
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.196 Å)
主引用文献Molecular structure and dynamics of the dimeric human small heat shock protein HSPB6.
J.Struct.Biol., 185, 2014
4JWG
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BU of 4jwg by Molmil
Crystal structure of spTrm10(74)
分子名称: ACETIC ACID, tRNA (guanine(9)-N1)-methyltransferase
著者Yan, W, Shao, Z.
登録日2013-03-27
公開日2013-10-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of tRNA m1G9 methyltransferase Trm10: insight into the catalytic mechanism and recognition of tRNA substrate.
Nucleic Acids Res., 42, 2014
4JQU
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Crystal structure of Ubc7p in complex with the U7BR of Cue1p
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Coupling of ubiquitin conjugation to ER degradation protein 1, DI(HYDROXYETHYL)ETHER, ...
著者Liang, Y.-H, Metzger, M.B, Weissman, A.M, Ji, X.
登録日2013-03-20
公開日2013-05-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献A Structurally Unique E2-Binding Domain Activates Ubiquitination by the ERAD E2, Ubc7p, through Multiple Mechanisms.
Mol.Cell, 50, 2013
4JRC
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BU of 4jrc by Molmil
Distal Stem I region from G. kaustophilus glyQS T box RNA
分子名称: Distal Stem I region of the glyQS T box leader RNA, MAGNESIUM ION
著者Grigg, J.C, Ke, A.
登録日2013-03-21
公開日2013-04-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.673 Å)
主引用文献T box RNA decodes both the information content and geometry of tRNA to affect gene expression.
Proc.Natl.Acad.Sci.USA, 110, 2013
4KAL
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BU of 4kal by Molmil
Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with quinoline-3-carboxylic acid
分子名称: ADENOSINE, DIMETHYL SULFOXIDE, POTASSIUM ION, ...
著者Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2013-04-22
公開日2013-05-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with quinoline-3-carboxylic acid
To be Published
4KAG
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BU of 4kag by Molmil
Crystal structure analysis of a single amino acid deletion mutation in EGFP
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Green fluorescent protein, ...
著者Arpino, J.A.J, Rizkallah, P.J.
登録日2013-04-22
公開日2014-08-06
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Structural and dynamic changes associated with beneficial engineered single-amino-acid deletion mutations in enhanced green fluorescent protein.
Acta Crystallogr.,Sect.D, 70, 2014
4KCE
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BU of 4kce by Molmil
Crystal structure of the mitochondrial peroxiredoxin from Leishmania braziliensis in the dimeric form
分子名称: Peroxidoxin
著者Souza, T.A.C.B, Morais, M.A.B, Giuseppe, P.O, Murakami, M.T.
登録日2013-04-24
公開日2014-05-14
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Crystal structure of the mitochondrial peroxiredoxin from Leishmania braziliensis in the dimeric form
To be Published
4KG4
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Crystal structure of Saccharomyces cerevisiae Dcp2 Nudix domain (E198Q mutation)
分子名称: mRNA-decapping enzyme subunit 2
著者Aglietti, R.A, Floor, S.N, Gross, J.D.
登録日2013-04-28
公開日2013-08-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Active site conformational dynamics are coupled to catalysis in the mRNA decapping enzyme dcp2.
Structure, 21, 2013
4KK4
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YwlE arginine phosphatase - C7S mutant with phosphorylated active site serine
分子名称: Low molecular weight protein-tyrosine-phosphatase YwlE
著者Fuhrmann, J, Clausen, T.
登録日2013-05-05
公開日2013-07-03
最終更新日2013-07-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for recognizing phosphoarginine and evolving residue-specific protein phosphatases in gram-positive bacteria.
Cell Rep, 3, 2013
4KHR
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BU of 4khr by Molmil
HCV NS5B GT1A C316Y with GSK5852
分子名称: NS5B RNA-dependent RNA polymerase, SULFATE ION, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid
著者Williams, S.P, Kahler, K.M, Shotwell, J.B.
登録日2013-05-01
公開日2013-05-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
4KMA
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BU of 4kma by Molmil
Crystal structure of Drosophila Suppressor of Fused
分子名称: GM14141p
著者Zhang, Y, Qi, X, Zhang, Z, Wu, G.
登録日2013-05-08
公開日2013-11-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Structural insight into the mutual recognition and regulation between Suppressor of Fused and Gli/Ci.
Nat Commun, 4, 2013
4KK7
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BU of 4kk7 by Molmil
Structure of EccB1 from the type VII (ESX-1) secretion system of Mycobacterium tuberculosis.
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ESX-1 secretion system protein eccB1, GLYCEROL, ...
著者Korotkov, K.V, Evans, T.J.
登録日2013-05-05
公開日2013-06-19
最終更新日2016-03-23
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structures of EccB1 and EccD1 from the core complex of the mycobacterial ESX-1 type VII secretion system.
Bmc Struct.Biol., 16, 2016
4KNI
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BU of 4kni by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2-Chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2013-05-10
公開日2013-11-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII
Bioorg.Med.Chem., 21, 2013
4WIP
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BU of 4wip by Molmil
DIX domain of human Dvl2
分子名称: PENTAETHYLENE GLYCOL, Segment polarity protein dishevelled homolog DVL-2
著者Fiedler, M, Bienz, M, Madrzak, J, Chin, J.W.
登録日2014-09-26
公開日2015-05-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.691 Å)
主引用文献Ubiquitination of the Dishevelled DIX domain blocks its head-to-tail polymerization.
Nat Commun, 6, 2015
4KNC
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BU of 4knc by Molmil
Structural and functional characterization of Pseudomonas aeruginosa AlgX
分子名称: Alginate biosynthesis protein AlgX
著者Riley, L.M, Weadge, J.T, Baker, P, Robinson, H, Codee, J.D.C, Tipton, P.A, Ohman, D.E, Howell, P.L.
登録日2013-05-09
公開日2013-06-26
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.141 Å)
主引用文献Structural and Functional Characterization of Pseudomonas aeruginosa AlgX: ROLE OF AlgX IN ALGINATE ACETYLATION.
J.Biol.Chem., 288, 2013
4KQF
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BU of 4kqf by Molmil
Crystal structure of CobT E174A complexed with adenine
分子名称: 1,2-ETHANEDIOL, ADENINE, Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase, ...
著者Chan, C.H, Newmister, S.A, Taylor, K.C, Claas, K.R, Rayment, I, Escalante-Semerena, J.C.
登録日2013-05-15
公開日2014-03-12
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Dissecting cobamide diversity through structural and functional analyses of the base-activating CobT enzyme of Salmonella enterica.
Biochim.Biophys.Acta, 1840, 2014
4KR8
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BU of 4kr8 by Molmil
Salmonella typhi OmpF complex with Daunomycin
分子名称: DAUNOMYCIN, Outer membrane protein F
著者Madhuranayaki, T, Balasubramaniam, D, Krishnaswamy, S.
登録日2013-05-16
公開日2014-05-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Salmonella typhi OmpF complex with Daunomycin
To be published
4KRP
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BU of 4krp by Molmil
Nanobody/VHH domain 9G8 in complex with the extracellular region of EGFR
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, Cetuximab heavy chain, ...
著者Ferguson, K.M, Schmitz, K.R.
登録日2013-05-16
公開日2013-08-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.823 Å)
主引用文献Structural Evaluation of EGFR Inhibition Mechanisms for Nanobodies/VHH Domains.
Structure, 21, 2013
4K1F
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BU of 4k1f by Molmil
Crystal structure of reduced tryparedoxin peroxidase from leishmania major at 2.34 A resolution
分子名称: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Ilari, A, Fiorillo, A, Di Chiaro, F.
登録日2013-04-05
公開日2014-04-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structure-based discovery of the first non-covalent inhibitors of Leishmania major tryparedoxin peroxidase by high throughput docking
Sci Rep, 5, 2015
4K2M
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BU of 4k2m by Molmil
Crystal structure of ntda from bacillus subtilis in complex with the plp external aldimine adduct with kanosamine-6-phosphate
分子名称: 1,2-ETHANEDIOL, 3-deoxy-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-O-phosphono-alpha-D-gluco pyranose, ACETATE ION, ...
著者Van Straaten, K.E, Palmer, D.R.J, Sanders, D.A.R.
登録日2013-04-09
公開日2013-10-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献The Structure of NtdA, a Sugar Aminotransferase Involved in the Kanosamine Biosynthetic Pathway in Bacillus subtilis, Reveals a New Subclass of Aminotransferases.
J.Biol.Chem., 288, 2013
4K2X
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OxyS anhydrotetracycline hydroxylase from Streptomyces rimosus
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Polyketide oxygenase/hydroxylase
著者Wang, P, Sawaya, M.R, Tang, Y.
登録日2013-04-09
公開日2013-05-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Uncovering the Enzymes that Catalyze the Final Steps in Oxytetracycline Biosynthesis.
J.Am.Chem.Soc., 135, 2013
4E28
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BU of 4e28 by Molmil
Structure of human thymidylate synthase in inactive conformation with a novel non-peptidic inhibitor
分子名称: 2-{(2Z,5S)-4-hydroxy-2-[(2E)-(2-hydroxybenzylidene)hydrazinylidene]-2,5-dihydro-1,3-thiazol-5-yl}-N-[3-(trifluoromethyl)phenyl]acetamide, 2-{(5S)-2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-N-[3-(trifluoromethyl)phenyl]acetamide, SULFATE ION, ...
著者Tochowicz, A, Finer-Moore, J, Stroud, R.M, Costi, M.P.
登録日2012-03-07
公開日2012-11-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Inhibitor of ovarian cancer cells growth by virtual screening: a new thiazole derivative targeting human thymidylate synthase.
J.Med.Chem., 55, 2012

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