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3MXC
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BU of 3mxc by Molmil
Structures of Grb2-SH2 Domain and AICD peptide Complexes Reveal a Conformational Switch and Their Functional Implications.
分子名称: AICD peptide, Growth factor receptor-bound protein 2
著者Sen, U, Das, S.
登録日2010-05-07
公開日2011-05-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Functional Implications of the Conformational Switch in AICD Peptide upon Binding to Grb2-SH2 Domain.
J.Mol.Biol., 414, 2011
3MXY
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BU of 3mxy by Molmil
Structures of Grb2-SH2 Domain and AICD peptide Complexes Reveal a Conformational Switch and Their Functional Implications.
分子名称: AICD peptide E683V variant, Growth factor receptor-bound protein 2
著者Sen, U, Das, S.
登録日2010-05-08
公開日2011-05-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Functional Implications of the Conformational Switch in AICD Peptide upon Binding to Grb2-SH2 Domain.
J.Mol.Biol., 414, 2011
3LKS
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BU of 3lks by Molmil
Crystal Structure of HLA B*3501 in complex with influenza NP418 epitope from 1980 strain
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ...
著者Gras, S, Kedzierski, L, Valkenburg, S.A, Liu, Y.C, Denholm, J, Richards, M, Rimmelzwaan, G.F, Doherty, P.C, Turner, S.J, Rossjohn, J, Kedzierska, K.
登録日2010-01-27
公開日2010-07-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Cross-reactive CD8+ T-cell immunity between the pandemic H1N1-2009 and H1N1-1918 influenza A viruses.
Proc.Natl.Acad.Sci.USA, 107, 2010
2XQF
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BU of 2xqf by Molmil
X-ray Structure of human butyrylcholinesterase inhibited by racemic VX
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Wandhammer, M, Carletti, E, Gillon, E, Masson, P, Goeldner, M, Noort, D, Nachon, F.
登録日2010-09-02
公開日2011-03-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Study of the Complex Stereoselectivity of Human Butyrylcholinesterase for the Neurotoxic V-Agents.
J.Biol.Chem., 286, 2011
3GG8
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BU of 3gg8 by Molmil
Crystal structure of the Toxoplasma gondii Pyruvate Kinase N terminal truncated
分子名称: GLYCEROL, Pyruvate kinase, SULFATE ION
著者Wernimont, A.K, Lew, J, Allali-Hassani, A, Vedadi, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hills, T, Schapira, M, Hui, R, Pizarro, J.C, Structural Genomics Consortium (SGC)
登録日2009-02-27
公開日2009-05-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献The crystal structure of Toxoplasma gondii pyruvate kinase 1.
Plos One, 5, 2010
4MI0
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BU of 4mi0 by Molmil
Human Enhancer of Zeste (Drosophila) Homolog 2(EZH2)
分子名称: Histone-lysine N-methyltransferase EZH2, UNKNOWN ATOM OR ION, ZINC ION
著者Dong, A, Zeng, H, He, H, Wernimont, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC)
登録日2013-08-30
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the catalytic domain of EZH2 reveals conformational plasticity in cofactor and substrate binding sites and explains oncogenic mutations.
Plos One, 8, 2013
4GKP
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BU of 4gkp by Molmil
Structure of the truncated neck and C-terminal motor homology domain of ViK1 from Candida glabrata
分子名称: Spindle pole body-associated protein VIK1
著者Duan, D, Allingham, J.S.
登録日2012-08-13
公開日2012-10-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Neck Rotation and Neck Mimic Docking in the Noncatalytic Kar3-associated Protein Vik1.
J.Biol.Chem., 287, 2012
4Q1L
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BU of 4q1l by Molmil
Crystal structure of Leucurolysin-a complexed with an endogenous tripeptide (QSW).
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Ferreira, R.N, Sanchez, E.O.F, Pimenta, A.M.C, Nagem, R.A.P.
登録日2014-04-03
公開日2015-04-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of Leucurolysin-a complexed with an endogenous tripeptide (QSW).
To be Published
4GKQ
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Structure of the neck and C-terminal motor homology domain of ViK1 from Candida glabrata
分子名称: SPINDLE POLE BODY-ASSOCIATED PROTEIN VIK1
著者Duan, D, Allingham, J.S.
登録日2012-08-13
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Neck Rotation and Neck Mimic Docking in the Noncatalytic Kar3-associated Protein Vik1.
J.Biol.Chem., 287, 2012
3RQ4
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BU of 3rq4 by Molmil
Crystal structure of suppressor of variegation 4-20 homolog 2
分子名称: 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SUV420H2, S-ADENOSYLMETHIONINE, ...
著者Dong, A, Zeng, H, Tempel, W, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
登録日2011-04-27
公開日2011-06-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of the human histone H4K20 methyltransferases SUV420H1 and SUV420H2.
Febs Lett., 587, 2013
4HYI
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BU of 4hyi by Molmil
X-RAY Crystal structure of compound 40 bound to human chk1 kinase domain
分子名称: 2-(1H-indazol-1-yl)-N-[2-(piperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide, GLYCEROL, Serine/threonine-protein kinase Chk1
著者Fischmann, T.O.
登録日2012-11-13
公開日2013-03-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.399 Å)
主引用文献Structure-based design and optimization of 2-aminothiazole-4-carboxamide as a new class of CHK1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4HYH
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BU of 4hyh by Molmil
X-RAY Crystal structure of compound 39 bound to human chk1 kinase domain
分子名称: 2-(6-methoxy-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-[4-(piperazin-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase Chk1
著者Fischmann, T.O.
登録日2012-11-13
公開日2013-03-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-based design and optimization of 2-aminothiazole-4-carboxamide as a new class of CHK1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
1PFD
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BU of 1pfd by Molmil
THE SOLUTION STRUCTURE OF HIGH PLANT PARSLEY [2FE-2S] FERREDOXIN, NMR, 18 STRUCTURES
分子名称: FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN
著者Im, S.-C, Liu, G, Luchinat, C, Sykes, A.G, Bertini, I.
登録日1998-05-05
公開日1999-05-11
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The solution structure of parsley [2Fe-2S]ferredoxin.
Eur.J.Biochem., 258, 1998
2QPW
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BU of 2qpw by Molmil
Methyltransferase domain of human PR domain-containing protein 2
分子名称: PR domain zinc finger protein 2
著者Lunin, V.V, Wu, H, Dombrovski, L, Antoshenko, T, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2007-07-25
公開日2007-08-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural biology of human H3K9 methyltransferases
Plos One, 5, 2010
3GOK
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BU of 3gok by Molmil
Binding site mapping of protein ligands
分子名称: 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MAP kinase-activated protein kinase 2
著者Scheich, C.
登録日2009-03-19
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Binding site mapping of protein ligands
To be published
2R3A
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BU of 2r3a by Molmil
Methyltransferase domain of human suppressor of variegation 3-9 homolog 2
分子名称: Histone-lysine N-methyltransferase SUV39H2, S-ADENOSYLMETHIONINE, SERINE, ...
著者Lunin, V.V, Wu, H, Zeng, H, Ren, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Min, J, Structural Genomics Consortium (SGC)
登録日2007-08-29
公開日2007-09-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural biology of human H3K9 methyltransferases
Plos One, 5, 2010
4MTS
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BU of 4mts by Molmil
Ni- and Zn-bound GloA2 at high resolution
分子名称: GLYCEROL, Lactoylglutathione lyase, NICKEL (II) ION, ...
著者Bythell-Douglas, R, Bond, C.S.
登録日2013-09-20
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The crystal structure of a homodimeric Pseudomonas glyoxalase I enzyme reveals asymmetric metallation commensurate with half-of-sites activity.
Chemistry, 21, 2015
3BPR
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BU of 3bpr by Molmil
Crystal structure of catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor C52
分子名称: 2-(2-HYDROXYETHYLAMINO)-6-(3-CHLOROANILINO)-9-ISOPROPYLPURINE, CHLORIDE ION, Proto-oncogene tyrosine-protein kinase MER, ...
著者Walker, J.R, Huang, X, Finerty Jr, P.J, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2007-12-19
公開日2008-01-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural insights into the inhibited states of the Mer receptor tyrosine kinase.
J.Struct.Biol., 165, 2009
5ABW
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BU of 5abw by Molmil
Neutrophil elastase inhibitors for the treatment of (cardio)pulmonary diseases
分子名称: 1-(3-CHLOROPHENYL)-5-(3,5-DIMETHYLISOXAZOL-4-YL)-6-METHYL-N-[4-(METHYLSULFONYL)BENZYL]-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者von Nussbaum, F, Li, V.M, Schaefer, M.
登録日2015-08-10
公開日2015-08-19
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Neutrophil elastase inhibitors for the treatment of (cardio)pulmonary diseases: Into clinical testing with pre-adaptive pharmacophores.
Bioorg. Med. Chem. Lett., 25, 2015
1HYM
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BU of 1hym by Molmil
HYDROLYZED TRYPSIN INHIBITOR (CMTI-V, MINIMIZED AVERAGE NMR STRUCTURE)
分子名称: HYDROLYZED CUCURBITA MAXIMA TRYPSIN INHIBITOR V
著者Cai, M, Gong, Y, Prakash, O, Krishnamoorthi, R.
登録日1995-06-12
公開日1995-09-15
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Reactive-site hydrolyzed Cucurbita maxima trypsin inhibitor-V: function, thermodynamic stability, and NMR solution structure.
Biochemistry, 34, 1995
1HI7
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BU of 1hi7 by Molmil
NMR SOLUTION STRUCTURE OF THE DISULPHIDE-LINKED HOMODIMER OF HUMAN TFF1, 10 STRUCTURES
分子名称: PS2 PROTEIN
著者Williams, M.A, Feeney, J.
登録日2001-01-03
公開日2001-01-03
最終更新日2019-04-10
実験手法SOLUTION NMR
主引用文献The Solution Structure of the Disulphide-Linked Dimeric of the Human Trefoil Protein Tff1
FEBS Lett., 493, 2001
1HVH
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BU of 1hvh by Molmil
NONPEPTIDE CYCLIC CYANOGUANIDINES AS HIV PROTEASE INHIBITORS
分子名称: HIV-1 PROTEASE, {[4-R(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS(4-HYDROXYMETHYL)METHYL]-4,7-BIS(PHENYLMETHYL) -2H-1,3-DIAZEPIN-2-YLIDENE]CYANAMIDE}
著者Chang, C.-H.
登録日1997-12-13
公開日1998-12-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Nonpeptide cyclic cyanoguanidines as HIV-1 protease inhibitors: synthesis, structure-activity relationships, and X-ray crystal structure studies.
J.Med.Chem., 41, 1998
4MTQ
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Ni-bound GloA2
分子名称: Lactoylglutathione lyase, NICKEL (II) ION, SUCCINIC ACID
著者Bythell-Douglas, R, Bond, C.S.
登録日2013-09-20
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献The crystal structure of a homodimeric Pseudomonas glyoxalase I enzyme reveals asymmetric metallation commensurate with half-of-sites activity.
Chemistry, 21, 2015
4MTR
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Zn-bound GloA2
分子名称: 1,2-ETHANEDIOL, Lactoylglutathione lyase, ZINC ION
著者Bythell-Douglas, R, Bond, C.S.
登録日2013-09-20
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献The crystal structure of a homodimeric Pseudomonas glyoxalase I enzyme reveals asymmetric metallation commensurate with half-of-sites activity.
Chemistry, 21, 2015
3DEL
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BU of 3del by Molmil
The structure of CT381, the arginine binding protein from the periplasm Chlamydia trachomatis
分子名称: Arginine Binding Protein
著者Petit, P, Vuillard, L, Spinelli, S.
登録日2008-06-10
公開日2009-06-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Exploiting antigenic diversity for vaccine design: the Chlamydia ArtJ paradigm.
J.Biol.Chem., 2010

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