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4UCU
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BU of 4ucu by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
分子名称: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxyquinoline-2-carboxylic acid, DNA LIGASE
著者Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
登録日2014-12-04
公開日2015-10-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4LMZ
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BU of 4lmz by Molmil
Structural insight into RNA recognition by RRM1+2 domain of human ETR-3 protein
分子名称: CUGBP Elav-like family member 2, RNA (5'-R(*GP*CP*UP*GP*CP*GP*UP*AP*UP*UP*GP*UP*UP*UP*G)-3')
著者Bhatt, H, Manickam, Y, Bhavesh, N.S.
登録日2013-07-11
公開日2014-07-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献sequence specific RNA recognition of ETR3 RRM 1-2 domains
TO BE PUBLISHED
6P1O
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BU of 6p1o by Molmil
Post-catalytic nicked complex of human DNA Polymerase Mu with 1-nt gapped substrate containing template 8OG and newly incorporated dAMP
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A.
登録日2019-05-20
公開日2019-09-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine.
Nucleic Acids Res., 47, 2019
4TXN
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BU of 4txn by Molmil
Crystal structure of uridine phosphorylase from Schistosoma mansoni in complex with 5-fluorouracil
分子名称: 5-FLUOROURACIL, SULFATE ION, Uridine phosphorylase
著者Marinho, A, Torini, J, Romanello, L, Cassago, A, DeMarco, R, Brandao-Neto, J, Pereira, H.M.
登録日2014-07-03
公開日2015-10-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Analysis of two Schistosoma mansoni uridine phosphorylases isoforms suggests the emergence of a protein with a non-canonical function.
Biochimie, 125, 2016
3K2E
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BU of 3k2e by Molmil
Crystal structure of enoyl-(acyl-carrier-protein) reductase from Anaplasma phagocytophilum at 1.9A resolution
分子名称: 1,2-ETHANEDIOL, Enoyl-(Acyl-carrier-protein) reductase, GLYCEROL
著者Abendroth, J, Staker, B, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-09-30
公開日2009-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of enoyl-(acyl-carrier-protein) reductase from Anaplasma phagocytophilum at 1.9A resolution
To be Published
5JPC
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BU of 5jpc by Molmil
Joint X-ray/neutron structure of MTAN complex with Formycin A
分子名称: (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, Aminodeoxyfutalosine nucleosidase
著者Banco, M.T, Kovalevsky, A.Y, Ronning, D.R.
登録日2016-05-03
公開日2016-11-16
最終更新日2024-03-06
実験手法NEUTRON DIFFRACTION (2.5 Å), X-RAY DIFFRACTION
主引用文献Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
1CN4
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BU of 1cn4 by Molmil
ERYTHROPOIETIN COMPLEXED WITH EXTRACELLULAR DOMAINS OF ERYTHROPOIETIN RECEPTOR
分子名称: PROTEIN (ERYTHROPOIETIN RECEPTOR), PROTEIN (ERYTHROPOIETIN)
著者Stroud, R.M, Reid, S.W.
登録日1999-05-25
公開日1999-08-11
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Efficiency of signalling through cytokine receptors depends critically on receptor orientation.
Nature, 395, 1998
5JV0
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BU of 5jv0 by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor CL-08-038
分子名称: Farnesyl pyrophosphate synthase, SULFATE ION, [(1R)-2-(3-fluorophenyl)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}ethyl]phosphonic acid
著者Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M.
登録日2016-05-10
公開日2017-03-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase.
J. Med. Chem., 60, 2017
6PAC
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BU of 6pac by Molmil
E. coli L-asparaginase II in complex with L-Asp at pH 5.6
分子名称: ASPARTIC ACID, IMIDAZOLE, L-asparaginase 2
著者Lubkowski, J, Wlodawer, A.
登録日2019-06-11
公開日2019-09-04
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Geometric considerations support the double-displacement catalytic mechanism of l-asparaginase.
Protein Sci., 28, 2019
3O1F
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BU of 3o1f by Molmil
P1 crystal form of E. coli ClpS at 1.4 A resolution
分子名称: ATP-dependent Clp protease adapter protein clpS
著者Roman-Hernandez, G, Hou, J.Y, Grant, R.A, Sauer, R.T, Baker, T.A.
登録日2010-07-21
公開日2011-07-27
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The ClpS Adaptor Mediates Staged Delivery of N-End Rule Substrates to the AAA+ ClpAP Protease.
Mol.Cell, 43, 2011
6U18
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BU of 6u18 by Molmil
Directed evolution of a biosensor selective for the macrolide antibiotic clarithromycin
分子名称: CITRATE ANION, CLARITHROMYCIN, Erythromycin resistance repressor protein
著者Li, Y, Reed, M, Wright, H.T, Cropp, T.A, Williams, G.
登録日2019-08-15
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development of Genetically Encoded Biosensors for Reporting the Methyltransferase-Dependent Biosynthesis of Semisynthetic Macrolide Antibiotics.
Acs Synth Biol, 2021
6PJX
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BU of 6pjx by Molmil
Crystal Structure of G Protein-Coupled Receptor Kinase 5 (GRK5) in Complex with Calmodulin (CaM)
分子名称: CALCIUM ION, Calmodulin, G protein-coupled receptor kinase 5, ...
著者Bhardwaj, A, Komolov, K.E, Sulon, S, Benovic, J.L.
登録日2019-06-28
公開日2020-12-09
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structure of a GRK5-Calmodulin Complex Reveals Molecular Mechanism of GRK Activation and Substrate Targeting.
Mol.Cell, 81, 2021
4LHO
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BU of 4lho by Molmil
Crystal Structure of FG41Malonate Semialdehyde Decarboxylase inhibited by 3-bromopropiolate
分子名称: 3-chloro-3-oxopropanoic acid, FG41 Malonate Semialdehyde Decarboxylase, PHOSPHATE ION
著者Guo, Y, Serrano, H, Poelarends, G.J, Johnson Jr, W.H, Hackert, M.L, Whitman, C.P.
登録日2013-07-01
公開日2013-07-24
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.224 Å)
主引用文献Kinetic, Mutational, and Structural Analysis of Malonate Semialdehyde Decarboxylase from Coryneform Bacterium Strain FG41: Mechanistic Implications for the Decarboxylase and Hydratase Activities.
Biochemistry, 52, 2013
4LKT
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BU of 4lkt by Molmil
Crystal Structure of Human Epidermal Fatty Acid Binding Protein (FABP5) in Complex with Linoleic Acid
分子名称: AMMONIUM ION, CHLORIDE ION, CITRIC ACID, ...
著者Armstrong, E.H, Ortlund, E.A.
登録日2013-07-08
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Structural basis for ligand regulation of the fatty acid-binding protein 5, peroxisome proliferator-activated receptor beta / delta (FABP5-PPAR beta / delta ) signaling pathway.
J.Biol.Chem., 289, 2014
3JS5
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BU of 3js5 by Molmil
Crystal structure of protein tyrosine phosphatase from Entamoeba histolytica with Hepes in the active site. High resolution, alternative crystal form with 1 molecule in asymmetric unit
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Protein tyrosine phosphatase, SODIUM ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-09-09
公開日2009-09-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Crystal structure and putative substrate identification for the Entamoeba histolytica low molecular weight tyrosine phosphatase.
Mol.Biochem.Parasitol., 193, 2014
5JX4
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BU of 5jx4 by Molmil
Crystal structure of E36-G37del mutant of the Bacillus caldolyticus cold shock protein.
分子名称: Cold shock protein CspB, SULFATE ION
著者Carvajal, A, Castro-Fernandez, V, Cabrejos, D, Fuentealba, M, Pereira, H.M, Vallejos, G, Cabrera, R, Garratt, R.C, Komives, E.A, Ramirez-Sarmiento, C.A, Babul, J.
登録日2016-05-12
公開日2017-05-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Unusual dimerization of a BcCsp mutant leads to reduced conformational dynamics.
FEBS J., 284, 2017
5KBL
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BU of 5kbl by Molmil
Candida Albicans Superoxide Dismutase 5 (SOD5), E110Q Mutant
分子名称: COPPER (I) ION, Cell surface Cu-only superoxide dismutase 5, SULFATE ION
著者Galaleldeen, A, Peterson, R.L, Villarreal, J, Taylor, A.B, Hart, P.J.
登録日2016-06-03
公開日2016-08-24
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.414 Å)
主引用文献The Phylogeny and Active Site Design of Eukaryotic Copper-only Superoxide Dismutases.
J.Biol.Chem., 291, 2016
8AIP
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BU of 8aip by Molmil
Crystal Structure of Two-domain bacterial laccase from the actinobacterium Streptomyces carpinensis VKM Ac-1300
分子名称: COPPER (II) ION, OXYGEN MOLECULE, Two-Domain Laccase
著者Gabdulkhakov, A.G, Tishchenko, T.V, Trubitsina, L, Trubitsin, I, Leontievsky, A, Lisov, A.
登録日2022-07-27
公開日2023-08-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A Novel Two-Domain Laccase with Middle Redox Potential: Physicochemical and Structural Properties.
Biochemistry Mosc., 88, 2023
3SO0
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BU of 3so0 by Molmil
Crystal structure of a mutant T41S of a betagamma-crystallin domain from Clostridium beijerinckii
分子名称: CALCIUM ION, Clostrillin
著者Srivastava, S.S, Sankaranarayanan, R.
登録日2011-06-29
公開日2011-11-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Decoding the molecular design principles underlying Ca(2+) binding to beta gamma-crystallin motifs
J.Mol.Biol., 415, 2012
5KEG
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BU of 5keg by Molmil
Crystal structure of APOBEC3A in complex with a single-stranded DNA
分子名称: CALCIUM ION, CHLORIDE ION, DNA (5'-D(*TP*TP*CP*TP*T)-3'), ...
著者Kouno, T, Hilbert, B.J, Silvas, T, Royer, W.E, Matsuo, H, Schiffer, C.A.
登録日2016-06-09
公開日2017-05-10
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of APOBEC3A bound to single-stranded DNA reveals structural basis for cytidine deamination and specificity.
Nat Commun, 8, 2017
3SDW
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BU of 3sdw by Molmil
Crystal structure of a ribose-5-phosphate isomerase B RpiB from Coccidioides immitis bound to phosphate
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, PHOSPHATE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-06-09
公開日2011-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural characterization of a ribose-5-phosphate isomerase B from the pathogenic fungus Coccidioides immitis.
Bmc Struct.Biol., 11, 2011
3O7M
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BU of 3o7m by Molmil
1.98 Angstrom resolution crystal structure of a hypoxanthine-guanine phosphoribosyltransferase (hpt-2) from Bacillus anthracis str. 'Ames Ancestor'
分子名称: BETA-MERCAPTOETHANOL, GLYCEROL, Hypoxanthine phosphoribosyltransferase, ...
著者Halavaty, A.S, Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2010-07-30
公開日2010-09-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献1.98 Angstrom resolution crystal structure of a hypoxanthine-guanine phosphoribosyltransferase (hpt-2) from Bacillus anthracis str. 'Ames Ancestor'
TO BE PUBLISHED
5JQ5
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BU of 5jq5 by Molmil
Crystal structure of CDK2 in complex with inhibitor ICEC0942
分子名称: (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, ACETATE ION, Cyclin-dependent kinase 2
著者Hazel, P, Freemont, P.S.
登録日2016-05-04
公開日2017-02-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Inhibitor Selectivity for Cyclin-Dependent Kinase 7: A Structural, Thermodynamic, and Modelling Study.
ChemMedChem, 12, 2017
5JQ8
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BU of 5jq8 by Molmil
Crystal structure of CDK2 in complex with inhibitor ICEC0943
分子名称: (3S,4S)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, Cyclin-dependent kinase 2
著者Hazel, P, Freemont, P.S.
登録日2016-05-04
公開日2017-02-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Inhibitor Selectivity for Cyclin-Dependent Kinase 7: A Structural, Thermodynamic, and Modelling Study.
ChemMedChem, 12, 2017
4LPW
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BU of 4lpw by Molmil
Crystal structure of TENCON variant A6
分子名称: TENCON variant A6
著者Teplyakov, A, Obmolova, G, Gilliland, G.L.
登録日2013-07-16
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献C-terminal beta-strand swapping in a consensus-derived fibronectin Type III scaffold.
Proteins, 82, 2014

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