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4DO4
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BU of 4do4 by Molmil
Pharmacological chaperones for human alpha-N-acetylgalactosaminidase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, ...
著者Clark, N.E, Garman, S.C.
登録日2012-02-09
公開日2012-10-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Pharmacological chaperones for human alpha-N-acetylgalactosaminidase
Proc.Natl.Acad.Sci.USA, 109, 2012
4DOR
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BU of 4dor by Molmil
Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, in its apo State Bound to a Fragment of Human SHP Box1
分子名称: L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor subfamily 0 group B member 2, Nuclear receptor subfamily 5 group A member 2
著者Musille, P.M, Ortlund, E.A.
登録日2012-02-10
公開日2012-04-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Antidiabetic phospholipid-nuclear receptor complex reveals the mechanism for phospholipid-driven gene regulation.
Nat.Struct.Mol.Biol., 19, 2012
3SEV
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BU of 3sev by Molmil
Zn-mediated Trimer of Maltose-binding Protein E310H/K314H by Synthetic Symmetrization
分子名称: CHLORIDE ION, Maltose-binding periplasmic protein, ZINC ION, ...
著者Zhao, M, Soriaga, A.B, Laganowsky, A, Sawaya, M.R, Cascio, D, Yeates, T.O.
登録日2011-06-11
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献An approach to crystallizing proteins by metal-mediated synthetic symmetrization.
Protein Sci., 20, 2011
4HTN
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BU of 4htn by Molmil
Mitigation of X-ray damage in macromolecular crystallography by submicrometer line focusing; total dose 1.32 x 10e+12 X-ray photons
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
著者Duke, N.E.C, Finfrock, Y.Z, Stern, E.A, Alkire, R.W, Lazarski, K, Joachimiak, A.
登録日2012-11-01
公開日2013-05-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Mitigation of X-ray damage in macromolecular crystallography by submicrometre line focusing.
Acta Crystallogr.,Sect.D, 69, 2013
3SF6
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BU of 3sf6 by Molmil
Crystal structure of Glutaryl-CoA dehydrogenase from Mycobacterium smegmatis
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-06-12
公開日2011-06-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3CNK
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BU of 3cnk by Molmil
Crystal Structure of the dimerization domain of human filamin A
分子名称: Filamin-A, SULFATE ION
著者Lee, B.J, Seo, M.D, Seok, S.H, Lee, S.J, Kwon, A.R, Im, H.
登録日2008-03-26
公開日2009-02-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of the dimerization domain of human filamin A
Proteins, 75, 2008
3CNQ
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BU of 3cnq by Molmil
Prosubtilisin Substrate Complex of Subtilisin SUBT_BACAM
分子名称: Subtilisin BPN', ZINC ION
著者Gallagher, D.T, Bryan, P.N.
登録日2008-03-26
公開日2008-05-06
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Engineering substrate preference in subtilisin: structural and kinetic analysis of a specificity mutant.
Biochemistry, 47, 2008
4DSH
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BU of 4dsh by Molmil
Crystal structure of reduced UDP-Galactopyranose mutase
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ...
著者Dhatwalia, R, Singh, H, Tanner, J.J.
登録日2012-02-18
公開日2012-06-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structures of Trypanosoma cruzi UDP-Galactopyranose Mutase Implicate Flexibility of the Histidine Loop in Enzyme Activation.
Biochemistry, 51, 2012
3CLV
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BU of 3clv by Molmil
Crystal Structure of Rab5a from plasmodium falciparum, PFB0500c
分子名称: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Rab5 protein, ...
著者Chattopadhyay, D, Wernimont, A.K, Langsley, G, Lew, J, Kozieradzki, I, Cossar, D, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Sukumar, D, Structural Genomics Consortium (SGC)
登録日2008-03-20
公開日2008-07-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal Structure of Rab5a from plasmodium falciparum, PFB0500c
To be Published
4HUX
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BU of 4hux by Molmil
Crystal Structure of H2Db-H155A-NP
分子名称: ACETATE ION, Beta-2-microglobulin, GLYCEROL, ...
著者Gras, S, Twist, K.A, Rossjohn, J.
登録日2012-11-05
公開日2013-02-27
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Preemptive priming readily overcomes structure-based mechanisms of virus escape.
Proc.Natl.Acad.Sci.USA, 110, 2013
4HS9
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BU of 4hs9 by Molmil
Methanol tolerant mutant of the Proteus mirabilis lipase
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CALCIUM ION, CHLORIDE ION, ...
著者Korman, T.P.
登録日2012-10-29
公開日2013-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Dieselzymes: development of a stable and methanol tolerant lipase for biodiesel production by directed evolution.
Biotechnol Biofuels, 6, 2013
3SLG
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BU of 3slg by Molmil
Crystal structure of PbgP3 protein from Burkholderia pseudomallei
分子名称: CHLORIDE ION, PbgP3 protein
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-06-24
公開日2011-07-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of PbgP3 protein from Burkholderia pseudomallei
To be Published
4DV4
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BU of 4dv4 by Molmil
Crystal structure of the Thermus thermophilus 30S ribosomal subunit with a 16S rRNA mutation, A914G
分子名称: 16S rRNA, MAGNESIUM ION, ZINC ION, ...
著者Demirci, H, Murphy IV, F, Murphy, E, Gregory, S.T, Dahlberg, A.E, Jogl, G.
登録日2012-02-22
公開日2013-02-27
実験手法X-RAY DIFFRACTION (3.651 Å)
主引用文献A structural basis for streptomycin resistance
To be Published
3CPO
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BU of 3cpo by Molmil
Crystal structure of ketosteroid isomerase D40N with bound 2-fluorophenol
分子名称: 2-fluorophenol, Delta(5)-3-ketosteroid isomerase
著者Caaveiro, J.M.M, Pybus, B, Ringe, D, Petsko, G.
登録日2008-03-31
公開日2008-09-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Testing geometrical discrimination within an enzyme active site: constrained hydrogen bonding in the ketosteroid isomerase oxyanion hole
J.Am.Chem.Soc., 130, 2008
4DR2
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BU of 4dr2 by Molmil
Crystal structure of the Thermus thermophilus (HB8) 30S ribosomal subunit with multiple copies of paromomycin molecules bound
分子名称: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Demirci, H, Murphy IV, F, Murphy, E, Gregory, S.T, Dahlberg, A.E, Jogl, G.
登録日2012-02-16
公開日2012-11-14
最終更新日2013-01-30
実験手法X-RAY DIFFRACTION (3.249 Å)
主引用文献A structural basis for streptomycin-induced misreading of the genetic code.
Nat Commun, 4, 2013
4DTZ
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BU of 4dtz by Molmil
cytochrome P450 BM3h-8C8 MRI sensor bound to dopamine
分子名称: L-DOPAMINE, PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 BM3 variant 8C8
著者Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H.
登録日2012-02-21
公開日2012-06-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin.
J.Mol.Biol., 422, 2012
4DBS
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BU of 4dbs by Molmil
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 3'-[(4-nitronaphthalen-1-yl)amino]benzoic acid
分子名称: 3-[(4-nitronaphthalen-1-yl)amino]benzoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Chen, M, Christianson, D.W, Winkler, J.D, Penning, T.M.
登録日2012-01-16
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.852 Å)
主引用文献Crystal structures of AKR1C3 containing an N-(aryl)amino-benzoate inhibitor and a bifunctional AKR1C3 inhibitor and androgen receptor antagonist. Therapeutic leads for castrate resistant prostate cancer.
Bioorg.Med.Chem.Lett., 22, 2012
4DC3
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BU of 4dc3 by Molmil
Adenosine kinase from Schistosoma mansoni in complex with 2-fluoroadenosine
分子名称: 2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, ADENOSINE, Adenosine kinase, ...
著者Romanello, L, Bachega, F.R, Garatt, R.C, DeMarco, R, Brandao-neto, J, Pereira, H.M.
登録日2012-01-17
公開日2012-11-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Adenosine kinase from Schistosoma mansoni: structural basis for the differential incorporation of nucleoside analogues.
Acta Crystallogr.,Sect.D, 69, 2013
4DNR
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BU of 4dnr by Molmil
Crystal structure of the CusBA heavy-metal efflux complex from Escherichia coli, E716F mutant
分子名称: COPPER (II) ION, Cation efflux system protein CusA, Cation efflux system protein CusB
著者Su, C.-C, Long, F, Yu, E.
登録日2012-02-08
公開日2013-02-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.68 Å)
主引用文献Crystal structures of the pre-extrusion and extrusion states of the CusBA adaptor-transporter complex
To be Published
4HWN
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BU of 4hwn by Molmil
Crystal structure of the second Ig-C2 domain of human Fc-receptor like A (FCRLA), Isoform 9 [NYSGRC-005836]
分子名称: Fc receptor-like A
著者Kumar, P.R, Ahmed, M, Bhosle, R, Calarese, D, Celikigil, A, Chan, M.K, Fiser, A, Garforth, S, Glenn, A.S, Hillerich, B, Khafizov, K, Love, J, Patel, H, Rubinstein, R, Seidel, R, Stead, M, Toro, R, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN)
登録日2012-11-08
公開日2012-11-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.006 Å)
主引用文献Crystal structure of the second Ig-C2 domain of the human Fc-receptor like A, Isoform 9 [NYSGRC-005836]
to be published
3S3N
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BU of 3s3n by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) S217H mutant intasome in complex with magnesium and Dolutegravir (S/GSK1349572)
分子名称: (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3', 5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', ...
著者Hare, S, Cherepanov, P.
登録日2011-05-18
公開日2011-07-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structural and Functional Analyses of the Second-Generation Integrase Strand Transfer Inhibitor Dolutegravir (S/GSK1349572).
Mol.Pharmacol., 80, 2011
3CR7
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BU of 3cr7 by Molmil
Crystal structure of N-terminal truncation of APS Kinase from Penicillium chrysogenum: Ternary structure with ADP and PAPS
分子名称: 3'-PHOSPHATE-ADENOSINE-5'-PHOSPHATE SULFATE, ADENOSINE-5'-DIPHOSPHATE, Adenylyl-sulfate kinase, ...
著者Gay, S.C, Segel, I.H, Fisher, A.J.
登録日2008-04-04
公開日2009-02-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Truncated APS kinase from Pencillium chrysogenum: Insight into the function of the N-terminal helix
To be Published
4HXN
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BU of 4hxn by Molmil
Brd4 Bromodomain 1 complex with 4-(2-FLUOROPHENYL)-1,3-THIAZOL-2(3H)-ONE inhibitor
分子名称: 4-(2-fluorophenyl)-1,3-thiazol-2(3H)-one, Bromodomain-containing protein 4
著者Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C.
登録日2012-11-12
公開日2013-04-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
3S4K
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BU of 3s4k by Molmil
Structure of a putative esterase Rv1847/MT1895 from Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Putative esterase Rv1847/MT1895, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-05-19
公開日2011-06-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of a putative esterase Rv1847/MT1895 from Mycobacterium tuberculosis
To be Published
4DEI
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BU of 4dei by Molmil
Crystal structure of c-Met in complex with triazolopyridinone inhibitor 24
分子名称: 3-{(1S)-1-[3-(2-methoxyethoxy)quinolin-6-yl]ethyl}-5-(3-methyl-1,2-thiazol-5-yl)-3,5-dihydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-one, Hepatocyte growth factor receptor
著者Whittington, D.A, Long, A.M.
登録日2012-01-20
公開日2012-05-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery and optimization of a potent and selective triazolopyridinone series of c-Met inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012

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