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3M0S
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BU of 3m0s by Molmil
Crystal Structure of the R21D mutant of alpha-spectrin SH3 domain. Crystal obtained in ammonium sulphate at pH 7
分子名称: SULFATE ION, Spectrin alpha chain, brain
著者Camara-Artigas, A, Gavira, J.A.
登録日2010-03-03
公開日2011-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Understanding the polymorphic behaviour of a mutant of the alpha-spectrin SH3 domain by means of two 1.1 A structures
Acta Crystallogr.,Sect.D, 2011
3M5E
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BU of 3m5e by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-{[N-(6-chloro-5-formyl-2-methylthiopyrimidin-4-yl)amino]methyl}benzenesulfonamide
分子名称: 4-({[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}methyl)benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Grazulis, S, Manakova, E, Golovenko, D.
登録日2010-03-12
公開日2010-10-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII
Bioorg.Med.Chem., 18, 2010
3M9F
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BU of 3m9f by Molmil
HIV protease complexed with compound 10b
分子名称: CHLORIDE ION, HIV-1 protease, N-[(1S,5S)-5-{[(4-aminophenyl)sulfonyl](3-methylbutyl)amino}-1-methyl-6-oxohexyl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
著者Su, H.P.
登録日2010-03-22
公開日2010-06-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Epsilon substituted lysinol derivatives as HIV-1 protease inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3MC3
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BU of 3mc3 by Molmil
Crystal structure of DsrE/DsrF-like family protein (NP_342589.1) from SULFOLOBUS SOLFATARICUS at 1.49 A resolution
分子名称: CHLORIDE ION, DsrE/DsrF-like family protein
著者Joint Center for Structural Genomics (JCSG)
登録日2010-03-26
公開日2010-05-19
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Crystal structure of DsrE/DsrF-like family protein (NP_342589.1) from SULFOLOBUS SOLFATARICUS at 1.49 A resolution
To be published
3M82
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BU of 3m82 by Molmil
Crystal structure of Acetyl xylan esterase (TM0077) from THERMOTOGA MARITIMA at 2.40 A resolution (PMSF inhibitor complex structure)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Acetyl xylan esterase, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2010-03-17
公開日2010-05-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Functional and structural characterization of a thermostable acetyl esterase from Thermotoga maritima.
Proteins, 80, 2012
3M98
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BU of 3m98 by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 5-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide, Carbonic anhydrase 2, ...
著者Grazulis, S, Manakova, E, Golovenko, D.
登録日2010-03-21
公開日2011-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of human carbonic anhydrase isozyme II with 5-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide
To be published
3M02
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The Crystal Structure of 5-epi-aristolochene synthase complexed with (2-cis,6-trans)-2-fluorofarnesyl diphosphate
分子名称: (2E,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, Aristolochene synthase, MAGNESIUM ION
著者Noel, J.P, Dellas, N, Faraldos, J.A, Zhao, M, Hess Jr, B.A, Smentek, L, Coates, R.M, O'Maille, P.E.
登録日2010-03-02
公開日2010-07-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural elucidation of cisoid and transoid cyclization pathways of a sesquiterpene synthase using 2-fluorofarnesyl diphosphates.
Acs Chem.Biol., 5, 2010
3M0Q
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BU of 3m0q by Molmil
Crystal Structure of the R21D mutant of alpha-spectrin SH3 domain. Crystal obtained in ammonium sulphate at pH 5.
分子名称: SULFATE ION, Spectrin alpha chain, brain
著者Camara-Artigas, A, Gavira, J.A.
登録日2010-03-03
公開日2011-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Understanding the polymorphic behaviour of a mutant of the alpha-spectrin SH3 domain by means of two 1.1 A structures
Acta Crystallogr.,Sect.D, 2011
3M9Q
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BU of 3m9q by Molmil
Drosophila MSL3 chromodomain
分子名称: Protein male-specific lethal-3
著者Kim, D, Huang, P, Rastinejad, F, Khorasanizadeh, S.
登録日2010-03-22
公開日2010-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Corecognition of DNA and a methylated histone tail by the MSL3 chromodomain.
Nat.Struct.Mol.Biol., 17, 2010
3MHO
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BU of 3mho by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-[N-(6-chloro-5-formyl-2-methylthiopyrimidin-4-yl)amino]benzenesulfonamide
分子名称: 4-{[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Grazulis, S, Manakova, E, Golovenko, D, Sukackaite, R.
登録日2010-04-08
公開日2010-10-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII
Bioorg.Med.Chem., 18, 2010
3MBJ
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BU of 3mbj by Molmil
Crystal structure of a putative phosphomethylpyrimidine kinase (BT_4458) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 2.10 A resolution (rhombohedral form)
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2010-03-25
公開日2010-05-12
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of a putative phosphomethylpyrimidine kinase (BT_4458) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 2.10 A resolution (rhombohedral form)
To be Published
3MCP
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BU of 3mcp by Molmil
Crystal structure of Glucokinase (BDI_1628) from Parabacteroides distasonis ATCC 8503 at 3.00 A resolution
分子名称: FORMIC ACID, GLYCEROL, Glucokinase
著者Joint Center for Structural Genomics (JCSG)
登録日2010-03-29
公開日2010-05-12
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of Glucokinase (BDI_1628) from Parabacteroides distasonis ATCC 8503 at 3.00 A resolution
To be published
3MCW
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BU of 3mcw by Molmil
Crystal structure of an a putative hydrolase of the isochorismatase family (CV_1320) from Chromobacterium violaceum ATCC 12472 at 1.06 A resolution
分子名称: 1,2-ETHANEDIOL, IODIDE ION, Putative hydrolase
著者Joint Center for Structural Genomics, Joint Center for Structural Genomics (JCSG)
登録日2010-03-29
公開日2010-06-23
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Crystal structure of an a putative hydrolase of the isochorismatase family (CV_1320) from Chromobacterium violaceum ATCC 12472 at 1.06 A resolution
To be published
3LZE
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BU of 3lze by Molmil
Plasmodium vivax 6-pyruvoyltetrahydropterin synthase (PTPS), E37C catalytic residue mutant
分子名称: PTERINE, Putative 6-pyruvoyl tetrahydrobiopterin synthase, ZINC ION
著者Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2010-03-01
公開日2010-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis of the dual-functional 6-pyruvoyltetrahydropterin synthase from Malaria parasites.
to be published
3LZS
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BU of 3lzs by Molmil
Crystal Structure of HIV-1 CRF01_AE Protease in Complex with Darunavir
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION, HIV-1 protease
著者Schiffer, C.A, Bandaranayake, R.M.
登録日2010-03-01
公開日2010-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Effect of Clade-Specific Sequence Polymorphisms on HIV-1 Protease Activity and Inhibitor Resistance Pathways.
J.Virol., 84, 2010
3M01
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BU of 3m01 by Molmil
The Crystal Structure of 5-epi-aristolochene synthase complexed with (2-trans,6-trans)-2-fluorofarnesyl diphosphate
分子名称: (2Z,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, ACETATE ION, Aristolochene synthase, ...
著者Noel, J.P, Dellas, N, Faraldos, J.A, Zhao, M, Hess Jr, B.A, Smentek, L, Coates, R.M, O'Maille, P.E.
登録日2010-03-02
公開日2010-07-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural elucidation of cisoid and transoid cyclization pathways of a sesquiterpene synthase using 2-fluorofarnesyl diphosphates.
Acs Chem.Biol., 5, 2010
3M11
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BU of 3m11 by Molmil
Crystal Structure of Aurora A Kinase complexed with inhibitor
分子名称: 1-(4-{2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea, Serine/threonine-protein kinase 6
著者Wu, J.S, Leou, J.S, Coumar, M.S, Hsieh, H.P, Wu, S.Y.
登録日2010-03-03
公開日2011-03-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Fast-forwarding hit to lead: aurora and epidermal growth factor receptor kinase inhibitor lead identification
J.Med.Chem., 53, 2010
3MG2
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BU of 3mg2 by Molmil
Crystal structure of the orange carotenoid protein Y44S mutant from cyanobacteria synechocystis sp. PCC 6803
分子名称: Orange carotenoid protein, beta,beta-caroten-4-one
著者Wilson, A, Kinney, J, Zwart, P.H, Punginelli, C, D'Haen, S, Perreau, F, Klein, M.G, Kirilovsky, D, Kerfeld, C.A.
登録日2010-04-05
公開日2010-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.653 Å)
主引用文献Structural determinants underlying photoprotection in the photoactive orange carotenoid protein of cyanobacteria.
J.Biol.Chem., 285, 2010
3K4H
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BU of 3k4h by Molmil
CRYSTAL STRUCTURE OF putative transcriptional regulator LacI from Bacillus cereus subsp. cytotoxis NVH 391-98
分子名称: alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, putative transcriptional regulator
著者Malashkevich, V.N, Toro, R, Morano, C, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-10-05
公開日2009-11-10
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献CRYSTAL STRUCTURE OF putative transcriptional regulator LacI from Bacillus cereus subsp. cytotoxis NVH 391-98
To be Published
3K4X
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Eukaryotic Sliding Clamp PCNA Bound to DNA
分子名称: DNA (5'-D(*CP*CP*CP*AP*TP*CP*GP*TP*AP*T)-3'), DNA (5'-D(*TP*TP*TP*TP*AP*TP*AP*CP*GP*AP*TP*GP*GP*G)-3'), Proliferating cell nuclear antigen
著者McNally, R, Kuriyan, J.
登録日2009-10-06
公開日2010-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Analysis of the role of PCNA-DNA contacts during clamp loading.
Bmc Struct.Biol., 10, 2010
3K5J
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BU of 3k5j by Molmil
Crystal structure of Putative SUFU (suppressor of fused protein) homolog (YP_208451.1) from Neisseria gonorrhoeae FA 1090 at 1.40 A resolution
分子名称: GLYCEROL, SULFATE ION, Suppressor of fused family protein
著者Joint Center for Structural Genomics (JCSG)
登録日2009-10-07
公開日2010-01-26
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The crystal structure of a bacterial Sufu-like protein defines a novel group of bacterial proteins that are similar to the N-terminal domain of human Sufu.
Protein Sci., 19, 2010
3K65
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Crystal Structure of Prethombin-2/Fragment-2 Complex
分子名称: 1,4-BUTANEDIOL, Prothrombin
著者Adams, T.E, Huntington, J.A.
登録日2009-10-08
公開日2010-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural transitions during prothrombin activation: On the importance of fragment 2.
Biochimie, 122, 2016
3K7P
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Structure of mutant of ribose 5-phosphate isomerase type B from Trypanosoma cruzi.
分子名称: PHOSPHATE ION, Ribose 5-phosphate isomerase
著者Naworyta, A, Mowbray, S.L, Stern, A.L.
登録日2009-10-13
公開日2010-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structures of type B ribose 5-phosphate isomerase from Trypanosoma cruzi shed light on the determinants of sugar specificity in the structural family.
Febs J., 278, 2011
3K9X
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X-ray crystal structure of human fxa in complex with (S)-N-((2-METHYLBENZOFURAN-5-YLAMINO)(2-OXO-1-(2-OXO-2- (PYRROLIDIN-1-YL)ETHYL)AZEPAN-3- YLAMINO)METHYLENE)NICOTINAMIDE
分子名称: CALCIUM ION, GLYCEROL, N-{N'-(2-methyl-1-benzofuran-5-yl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide, ...
著者Klei, H.E, Kish, K, Ghosh, K, Rushith, A.
登録日2009-10-16
公開日2009-12-15
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Aroylguanidine-based factor Xa inhibitors: the discovery of BMS-344577
Bioorg.Med.Chem.Lett., 19, 2009
3JQA
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Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-1,9-dihydro-6H-purine-6-thione (DX4)
分子名称: 2-amino-1,9-dihydro-6H-purine-6-thione, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1
著者Tulloch, L.B, Hunter, W.N.
登録日2009-09-06
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 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

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