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3BS8
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Crystal structure of Glutamate 1-Semialdehyde Aminotransferase complexed with pyridoxamine-5'-phosphate From Bacillus subtilis
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Glutamate-1-semialdehyde 2,1-aminomutase
著者Ge, H, Fan, J, Teng, M, Niu, L.
登録日2007-12-22
公開日2008-12-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of Glutamate1-semialdehyde aminotransferase from Bacillus subtilis with bound pyridoxamine-5'-phosphate
Biochem.Biophys.Res.Commun., 402, 2010
3BZX
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Crystal structure of the mutated H265A EscU C-terminal domain
分子名称: EscU, SULFATE ION
著者Zarivach, R, Deng, W, Vuckovic, M, Felise, H.B, Nguyen, H.V, Miller, S.I, Finlay, B.B, Strynadka, N.C.J.
登録日2008-01-18
公開日2008-04-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural analysis of the essential self-cleaving type III secretion proteins EscU and SpaS.
Nature, 453, 2008
3BZM
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Crystal Structure of Open form of Menaquinone-Specific Isochorismate Synthase, MenF
分子名称: CITRIC ACID, Menaquinone-specific isochorismate synthase
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 (1.95 Å)
主引用文献Structure of isochorismate synthase in complex with magnesium.
Acta Crystallogr.,Sect.D, 64, 2008
4NLK
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BU of 4nlk by Molmil
Structure of human DNA polymerase beta complexed with 8BrG in the template base-paired with incoming non-hydrolyzable CTP
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, 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*A)-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 (2.494 Å)
主引用文献Structural basis for promutagenicity of 8-halogenated Guanine.
J.Biol.Chem., 289, 2014
3C0F
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BU of 3c0f by Molmil
Crystal Structure of a novel non-Pfam protein AF1514 from Archeoglobus fulgidus DSM 4304 solved by S-SAD using a Cr X-ray source
分子名称: Uncharacterized protein AF_1514
著者Li, Y, Bahti, P, Shaw, N, Song, G, Yin, J, Zhu, J.-Y, Zhang, H, Xu, H, Wang, B.-C, Liu, Z.-J.
登録日2008-01-20
公開日2008-02-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of a novel non-Pfam protein AF1514 from Archeoglobus fulgidus DSM 4304 solved by S-SAD using a Cr X-ray source.
Proteins, 71, 2008
3BWC
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BU of 3bwc by Molmil
Crystal structure of spermidine synthase from Trypanosoma cruzi in complex with SAM at 2.3 A resolution
分子名称: BETA-MERCAPTOETHANOL, S-ADENOSYLMETHIONINE, Spermidine synthase
著者Bosch, J, Arakaki, T.L, Le Trong, I, Merritt, E.A, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日2008-01-09
公開日2008-04-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of spermidine synthase from Trypanosoma cruzi.
To be Published
4NZQ
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BU of 4nzq by Molmil
Crystal structure of Ca2+-free prothrombin deletion mutant residues 146-167
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin
著者Pozzi, N, Chen, Z, Shropshire, D.B, Pelc, L.A, Di Cera, E.
登録日2013-12-12
公開日2014-05-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.807 Å)
主引用文献The linker connecting the two kringles plays a key role in prothrombin activation.
Proc.Natl.Acad.Sci.USA, 111, 2014
4O56
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Structure of PLK1 in complex with peptide
分子名称: PHOSPHATE ION, Serine/threonine-protein kinase PLK1, synthetic peptide
著者Wang, T.
登録日2013-12-19
公開日2014-12-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Integration of Charge-dipole Interaction and Intramolecular Hydrogen Bond in Ligand Design for the Polo-Box Domain of Polo-like Kinase 1
To be Published
3BW4
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BU of 3bw4 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2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures and site-directed mutagenesis study of nitroalkane oxidase from Streptomyces ansochromogenes
To be Published
4N1P
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Structure of Cyclophilin A in complex with Picolinamide.
分子名称: Peptidyl-prolyl cis-trans isomerase A, pyridine-2-carboxamide
著者Mcnae, I.W, Dornan, J, Walkinshaw, M.D.
登録日2013-10-04
公開日2015-08-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mapping the binding surface of Cyclophilin A.
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
4OUK
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BU of 4ouk by Molmil
Crystal structure of a C6-C4 SN3 inhibited ESTERASE B from LACTOBACILLUS RHAMNOSIS
分子名称: (2R)-2,3-bis(hexyloxy)propyl hydrogen (S)-pentylphosphonate, Esterase B
著者Colbert, D.A, Bennett, M.D, Lun, D.J, Holland, R, Delabre, M.-L, Loo, T.S, Anderson, B.F, Norris, G.E.
登録日2014-02-17
公開日2014-08-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a C6-C4 SN3 inhibited ESTERASE B from LACTOBACILLUS RHAMNOSIS
TO BE PUBLISHED
4NM1
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BU of 4nm1 by Molmil
Structure of human DNA polymerase beta complexed with a nicked DNA containing a 8BrG-C at N-1 position and G-C at N position
分子名称: 5'-D(*CP*CP*GP*AP*CP*GP*(BGM)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-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 (2.415 Å)
主引用文献Structural basis for promutagenicity of 8-halogenated Guanine.
J.Biol.Chem., 289, 2014
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
3BMC
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BU of 3bmc by Molmil
Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and substrate (folate)
分子名称: FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase
著者Tulloch, L.B, Hunter, W.N.
登録日2007-12-13
公開日2008-12-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
3BZR
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BU of 3bzr by Molmil
Crystal structure of EscU C-terminal domain with N262D mutation, Space group P 41 21 2
分子名称: EscU
著者Zarivach, R, Deng, W, Vuckovic, M, Felise, H.B, Nguyen, H.V, Miller, S.I, Finlay, B.B, Strynadka, N.C.J.
登録日2008-01-18
公開日2008-04-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.646 Å)
主引用文献Structural analysis of the essential self-cleaving type III secretion proteins EscU and SpaS.
Nature, 453, 2008
3C2S
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BU of 3c2s by Molmil
Structural Characterization of a Human Fc Fragment Engineered for Lack of Effector Functions
分子名称: IGHM protein, ZINC ION, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Oganesyan, V, Wu, H, Dall'Acqua, W.F.
登録日2008-01-25
公開日2008-08-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural characterization of a human Fc fragment engineered for lack of effector functions.
Acta Crystallogr.,Sect.D, 64, 2008
3C8N
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BU of 3c8n by Molmil
Crystal structure of apo-FGD1 from Mycobacterium tuberculosis
分子名称: Probable F420-dependent glucose-6-phosphate dehydrogenase FGD1
著者Bashiri, G, Squire, C.J, Moreland, N.J, Baker, E.N.
登録日2008-02-12
公開日2008-04-22
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of F420-dependent glucose-6-phosphate dehydrogenase FGD1 involved in the activation of the anti-tuberculosis drug candidate PA-824 reveal the basis of coenzyme and substrate binding.
J.Biol.Chem., 283, 2008
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
4ODS
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BU of 4ods by Molmil
Unliganded Fab structure of lipid A-specific antibody S55-3
分子名称: S55-3 Fab (IgG2b) heavy chain
著者Haji-Ghassemi, O, Evans, S.V.
登録日2014-01-10
公開日2015-07-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structural Basis for Antibody Recognition of Lipid A: INSIGHTS TO POLYSPECIFICITY TOWARD SINGLE-STRANDED DNA.
J.Biol.Chem., 290, 2015
4N1R
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BU of 4n1r by Molmil
Structure of Cyclophilin A in complex with benzenesulfonohydrazide.
分子名称: Peptidyl-prolyl cis-trans isomerase A, benzenesulfonohydrazide
著者Mcnae, I.W, Dornan, J, Walkinshaw, M.D.
登録日2013-10-04
公開日2015-08-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mapping the binding surface of Cyclophilin A.
To be Published
4N9A
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BU of 4n9a by Molmil
E. coli sliding clamp in complex with (R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid
分子名称: (1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
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 (1.9 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
3B2J
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Iodide derivative of human LFABP
分子名称: Fatty acid-binding protein, liver, IODIDE ION, ...
著者Sharma, A, Yogavel, M, Sharma, A.
登録日2011-08-03
公開日2012-06-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Utility of anion and cation combinations for phasing of protein structures.
J.Struct.Funct.Genom., 13, 2012
4MSN
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Crystal structure of PDE10A2 with fragment ZT0451 (8-nitroquinoline)
分子名称: 8-nitroquinoline, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
著者Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
登録日2013-09-18
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.
J Biomol Screen, 19, 2014

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