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3BW2
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BU of 3bw2 by Molmil
Crystal structures and site-directed mutagenesis study of nitroalkane oxidase from Streptomyces ansochromogenes
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-nitropropane dioxygenase, FLAVIN MONONUCLEOTIDE
著者Li, Y.H, Gao, Z.Q, Hou, H.F.
登録日2008-01-08
公開日2009-01-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure and site-directed mutagenesis of a nitroalkane oxidase from Streptomyces ansochromogenes
Biochem.Biophys.Res.Commun., 405, 2011
4MBI
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BU of 4mbi by Molmil
Discovery of Pyrazolo[1,5a]pyrimidine-based Pim1 Inhibitors
分子名称: N,N-dimethyl-N'-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine, Serine/threonine-protein kinase pim-1
著者Azevedo, R, Fischmann, T.O.
登録日2013-08-19
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of pyrazolo[1,5-a]pyrimidine-based Pim inhibitors: A template-based approach.
Bioorg.Med.Chem.Lett., 23, 2013
4M4U
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BU of 4m4u by Molmil
Structural evaluation D84A mutant of the aspergillus fumigatus kdnase (sialidase)
分子名称: CHLORIDE ION, Extracellular sialidase/neuraminidase, putative, ...
著者Telford, J.C, Taylor, G.L.
登録日2013-08-07
公開日2014-09-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Active site mutants of a fungal KDNase
To be Published
3BZN
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BU of 3bzn by Molmil
Crystal Structure of Open form of Menaquinone-Specific Isochorismate Synthase, MenF
分子名称: MAGNESIUM ION, Menaquinone-specific isochorismate synthase, SULFATE ION
著者Parsons, J.F, Shi, K.M, Ladner, J.E.
登録日2008-01-18
公開日2008-05-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of isochorismate synthase in complex with magnesium.
Acta Crystallogr.,Sect.D, 64, 2008
3MD0
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BU of 3md0 by Molmil
Crystal structure of arginine/ornithine transport system ATPase from Mycobacterium tuberculosis bound to GDP (a RAS-like GTPase superfamily protein)
分子名称: Arginine/ornithine transport system ATPase, GUANOSINE-5'-DIPHOSPHATE, UNKNOWN ATOM OR ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-03-29
公開日2010-04-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structures of Mycobacterial MeaB and MMAA-like GTPases.
J.Struct.Funct.Genom., 16, 2015
3MGZ
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BU of 3mgz by Molmil
Crystal structure of DHBPS domain of bi-functional DHBPS/GTP cyclohydrolase II from Mycobacterium tuberculosis at pH 4.0
分子名称: 3,4-dihydroxy-2-butanone 4-phosphate synthase, SULFATE ION
著者Singh, M, Kumar, P, Karthikeyan, S.
登録日2010-04-07
公開日2011-02-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural basis for pH dependent monomer-dimer transition of 3,4-dihydroxy 2-butanone-4-phosphate synthase domain from Mycobacterium tuberculosis
J.Struct.Biol., 174, 2011
3MK5
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BU of 3mk5 by Molmil
Crystal structure of 3,4-dihydroxy-2-butanone 4-phosphate synthase domain from Mycobacterium tuberculosis with sulfate and zinc at pH 4.00
分子名称: 3,4-dihydroxy-2-butanone 4-phosphate synthase, SULFATE ION, ZINC ION
著者Singh, M, Karthikeyan, S.
登録日2010-04-14
公開日2011-02-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural basis for pH dependent monomer-dimer transition of 3,4-dihydroxy 2-butanone-4-phosphate synthase domain from Mycobacterium tuberculosis
J.Struct.Biol., 174, 2011
4NJO
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BU of 4njo by Molmil
crystal structure of cofactor(NAD+) bound 3-phosphoglycerate dehydrogenase in Entamoeba histolytica
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, D-3-phosphoglycerate dehydrogenase, putative, ...
著者Singh, R.K, Gourinath, S.
登録日2013-11-11
公開日2014-10-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Crystal structures and kinetics of Type III 3-phosphoglycerate dehydrogenase reveal catalysis by lysine.
Febs J., 281, 2014
2ZMD
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BU of 2zmd by Molmil
Crystal structure of human Mps1 catalytic domain T686A mutant in complex with SP600125 inhibitor
分子名称: 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-6-ONE, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK
著者Chu, M.L.H, Chavas, L.M.G, Douglas, K.T, Eyers, P.A, Tabernero, L.
登録日2008-04-16
公開日2008-05-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Crystal structure of the catalytic domain of the mitotic checkpoint kinase Mps1 in complex with SP600125.
J.Biol.Chem., 283, 2008
4NLZ
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BU of 4nlz by Molmil
Structure of human DNA polymerase beta complexed with nicked DNA containing a mismatched template 8BrG and incoming GTP
分子名称: 5'-D(*CP*CP*GP*AP*CP*(BGM)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*AP*G)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
著者Koag, M.-C, Min, K, Monzingo, A.F, Lee, S.
登録日2013-11-14
公開日2014-01-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.683 Å)
主引用文献Structural basis for promutagenicity of 8-halogenated Guanine.
J.Biol.Chem., 289, 2014
3PDV
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BU of 3pdv by Molmil
Structure of the PDlim2 PDZ domain in complex with the C-terminal 6-peptide extension of NS1
分子名称: PDZ and LIM domain protein 2, C-teminal peptide from Nonstructural protein 1, SODIUM ION
著者Li, X.
登録日2010-10-25
公開日2011-09-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献PDlim2 selectively interacts with the PDZ binding motif of highly pathogenic avian H5N1 influenza A virus NS1
Plos One, 6, 2011
3PIL
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BU of 3pil by Molmil
Crystal structure of Mxr1 from Saccharomyces cerevisiae in reduced form
分子名称: ACETATE ION, Peptide methionine sulfoxide reductase
著者Ma, X.X, Guo, P.C, Shi, W.W, Luo, M, Tan, X.F, Chen, Y, Zhou, C.Z.
登録日2010-11-07
公開日2011-02-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structural plasticity of the thioredoxin recognition site of yeast methionine S-sulfoxide reductase Mxr1
J.Biol.Chem., 286, 2011
3CAF
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BU of 3caf by Molmil
Crystal Structure of hFGFR2 D2 Domain
分子名称: Fibroblast growth factor receptor 2
著者Guo, F, Dakshinamurthy, R, Kathir, K.M, Thallapuranam, S.K.K, Sakon, J.
登録日2008-02-19
公開日2009-01-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal structure analysis of the hFGFR2 D2 domain
To be Published
3AKA
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BU of 3aka by Molmil
Structural basis for prokaryotic calcium-mediated regulation by a Streptomyces coelicolor calcium-binding protein
分子名称: CALCIUM ION, Putative calcium binding protein
著者Zhao, X, Pang, H, Wang, S, Zhou, W, Yang, K, Bartlam, M.
登録日2010-07-09
公開日2011-01-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for prokaryotic calciummediated regulation by a Streptomyces coelicolor calcium binding protein
Protein Cell, 1, 2010
4N99
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BU of 4n99 by Molmil
E. coli sliding clamp in complex with 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-7-carboxylic acid
分子名称: 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-7-carboxylic acid, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Yin, Z, Oakley, A.J.
登録日2013-10-19
公開日2013-11-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach.
J.Med.Chem., 57, 2014
3NCG
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BU of 3ncg by Molmil
Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with bumped kinase inhibitor NM-PP1
分子名称: 1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1
著者Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2010-06-04
公開日2010-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Discovery of Potent and Selective Inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from C. parvum and T. gondii.
ACS Med Chem Lett, 1, 2010
3ATK
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BU of 3atk by Molmil
Crystal structure of trypsin complexed with cycloheptanamine
分子名称: CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ...
著者Yamane, J, Yao, M, Tanaka, I.
登録日2011-01-05
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
4NY5
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BU of 4ny5 by Molmil
X-ray structure of the adduct formed between hen egg white lysozyme and NAMI-A
分子名称: CHLORIDE ION, Lysozyme C, RUTHENIUM ION, ...
著者Messori, L, Merlino, A.
登録日2013-12-10
公開日2014-03-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Ruthenium metalation of proteins: the X-ray structure of the complex formed between NAMI-A and hen egg white lysozyme.
Dalton Trans, 43, 2014
3PFD
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BU of 3pfd by Molmil
Crystal structure of an Acyl-CoA dehydrogenase from Mycobacterium thermoresistibile bound to reduced flavin adenine dinucleotide solved by combined iodide ion SAD MR
分子名称: Acyl-CoA dehydrogenase, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, IODIDE ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-10-28
公開日2010-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献SAD phasing using iodide ions in a high-throughput structural genomics environment.
J.STRUCT.FUNCT.GENOM., 12, 2011
4NSM
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BU of 4nsm by Molmil
crystal structure of the streptococcal collagen-like protein 2 globular domain from invasive M3-type group A Streptococcus
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Collagen-like protein SclB, SULFATE ION
著者Berisio, R, Squeglia, F, Lukomski, S, Bachert, B.
登録日2013-11-28
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Crystal Structure of the Streptococcal Collagen-like Protein 2 Globular Domain from Invasive M3-type Group A Streptococcus Shows Significant Similarity to Immunomodulatory HIV Protein gp41.
J.Biol.Chem., 289, 2014
3CXR
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BU of 3cxr by Molmil
Crystal structure of gluconate 5-dehydrogase from streptococcus suis type 2
分子名称: Dehydrogenase with different specificities
著者Peng, H, Gao, F, Zhang, Q, Liu, Y, Gao, G.F.
登録日2008-04-25
公開日2009-03-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insight into the catalytic mechanism of gluconate 5-dehydrogenase from Streptococcus suis: Crystal structures of the substrate-free and quaternary complex enzymes.
Protein Sci., 18, 2009
3PH5
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BU of 3ph5 by Molmil
Bovine beta lactoglobulin crystallized through ligandation of yttrium cations
分子名称: Beta-lactoglobulin, CHLORIDE ION, YTTRIUM (III) ION
著者Zocher, G, Stehle, T.
登録日2010-11-03
公開日2011-09-21
最終更新日2014-02-19
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Novel Approach to Protein Crystallization through Ligandation of Yttrium Cations
J.Appl.Crystallogr., 44, 2011
3PHO
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BU of 3pho by Molmil
Crystal structure of S64-4 in complex with PSBP
分子名称: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-8)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-6)-2-amino-2-deoxy-4-O-phosphono-beta-D-glucopyranose, S64-4 Fab (IgG1) heavy chain, S64-4 Fab (IgG1) light chain
著者Evans, D.W, Evans, S.V.
登録日2010-11-04
公開日2011-05-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural insights into parallel strategies for germline antibody recognition of lipopolysaccharide from Chlamydia.
Glycobiology, 21, 2011
3PH6
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Bovine beta lactoglobulin crytsallized through ligandation of yttrium
分子名称: Beta-lactoglobulin, CHLORIDE ION, YTTRIUM (III) ION
著者Zocher, G, Stehle, T.
登録日2010-11-03
公開日2011-09-21
最終更新日2020-01-15
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Novel Approach to Protein Crystallization through Ligandation of Yttrium Cations
J.Appl.Crystallogr., 44, 2011
3PX9
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BU of 3px9 by Molmil
RTA in complex with N-(furanylmethyl)-7-carbamoyl-pterin
分子名称: 2-amino-N-(furan-2-ylmethyl)-4-oxo-3,4-dihydropteridine-7-carboxamide, Preproricin
著者Jasheway, K.R, Robertus, J.D.
登録日2010-12-09
公開日2011-06-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献7-Substituted pterins provide a new direction for ricin A chain inhibitors.
Eur.J.Med.Chem., 46, 2011

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