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2DIR
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BU of 2dir by Molmil
Solution structure of the THUMP domain of THUMP domain-containing protein 1
分子名称: THUMP domain-containing protein 1
著者Dang, W, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2006-03-30
公開日2006-09-30
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the THUMP domain of THUMP domain-containing protein 1
To be Published
2Q15
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BU of 2q15 by Molmil
Structure of BACE complexed to compound 3a
分子名称: (4S)-4-(2-AMINO-6-PHENOXYQUINAZOLIN-3(4H)-YL)-N,4-DICYCLOHEXYL-N-METHYLBUTANAMIDE, Beta-secretase 1
著者Sharff, A.J.
登録日2007-05-23
公開日2007-08-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献2-Amino-3,4-dihydroquinazolines as inhibitors of BACE-1 (beta-Site APP cleaving enzyme): Use of structure based design to convert a micromolar hit into a nanomolar lead.
J.Med.Chem., 50, 2007
4B4L
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CRYSTAL STRUCTURE OF AN ARD DAP-KINASE 1 MUTANT
分子名称: DEATH-ASSOCIATED PROTEIN KINASE 1, PENTAETHYLENE GLYCOL, SULFATE ION
著者Temmerman, K, Pogenberg, V, Jonko, W, Wilmanns, M.
登録日2012-07-31
公開日2013-08-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A Pef/Y Substrate Recognition and Signature Motif Plays a Critical Role in Dapk-Related Kinase Activity.
Chem.Biol., 21, 2014
3VUK
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BU of 3vuk by Molmil
Crystal structure of a cysteine-deficient mutant M5 in MAP kinase JNK1
分子名称: Mitogen-activated protein kinase 8, Peptide from C-Jun-amino-terminal kinase-interacting protein 1, SULFATE ION
著者Nakaniwa, T, Kinoshita, T, Inoue, T.
登録日2012-07-02
公開日2013-02-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Seven cysteine-deficient mutants depict the interplay between thermal and chemical stabilities of individual cysteine residues in mitogen-activated protein kinase c-Jun N-terminal kinase 1
Biochemistry, 51, 2012
2AAY
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BU of 2aay by Molmil
EPSP synthase liganded with shikimate and glyphosate
分子名称: (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, ...
著者Priestman, M.A, Healy, M.L, Funke, T, Becker, A.
登録日2005-07-14
公開日2006-02-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Molecular basis for the glyphosate-insensitivity of the reaction of 5-enolpyruvylshikimate 3-phosphate synthase with shikimate.
Febs Lett., 579, 2005
4FLS
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BU of 4fls by Molmil
Crystal structure of Amylosucrase inactive double mutant F290K-E328Q from Neisseria polysaccharea in complex with sucrose.
分子名称: Amylosucrase, CHLORIDE ION, GLYCEROL, ...
著者Guerin, F, Champion, E, Moulis, C, Barbe, S, Tran, T.H, Morel, S, Descroix, K, Monsan, P, Mulard, L.A, Remaud-Simeon, M, Andre, I, Mourey, L, Tranier, S.
登録日2012-06-15
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Applying pairwise combinations of amino Acid mutations for sorting out highly efficient glucosylation tools for chemo-enzymatic synthesis of bacterial oligosaccharides.
J.Am.Chem.Soc., 134, 2012
3VUL
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BU of 3vul by Molmil
Crystal structure of a cysteine-deficient mutant M1 in MAP kinase JNK1
分子名称: Mitogen-activated protein kinase 8, Peptide from C-Jun-amino-terminal kinase-interacting protein 1
著者Nakaniwa, T, Kinoshita, T, Inoue, T.
登録日2012-07-02
公開日2013-02-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Seven cysteine-deficient mutants depict the interplay between thermal and chemical stabilities of individual cysteine residues in mitogen-activated protein kinase c-Jun N-terminal kinase 1
Biochemistry, 51, 2012
3R20
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BU of 3r20 by Molmil
Crystal structure of cytidylate kinase from Mycobacterium smegmatis
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Cytidylate kinase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-03-11
公開日2011-04-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
2Q5D
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BU of 2q5d by Molmil
Crystal Structure of Human Importin Beta bound to the Snurportin1 IBB-domain second crystal form
分子名称: Importin beta-1 subunit, Snurportin-1
著者Mitrousis, G, Cingolani, G.
登録日2007-05-31
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Molecular Basis for the Recognition of Snurportin 1 by Importin {beta}.
J.Biol.Chem., 283, 2008
4OPR
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BU of 4opr by Molmil
Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying G238S mutation
分子名称: CALCIUM ION, SULFATE ION, TEM-94 ES-beta-lactamase, ...
著者Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S.
登録日2014-02-06
公開日2015-05-20
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder.
J. Mol. Biol., 427, 2015
2W1U
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BU of 2w1u by Molmil
A family 32 carbohydrate-binding module, from the Mu toxin produced by Clostridium perfringens, in complex with beta-D-glcNAc-beta(1,3) galNAc
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, ACETATE ION, ...
著者Ficko-Blean, E, Boraston, A.B.
登録日2008-10-20
公開日2009-05-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献N-Acetylglucosamine Recognition by a Family 32 Carbohydrate-Binding Module from Clostridium Perfringens Nagh.
J.Mol.Biol., 390, 2009
2PU1
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BU of 2pu1 by Molmil
Crystal Structure of the T. brucei enolase complexed with Fluoro-phosphonoacetohydroxamate (FPAH)
分子名称: 1,2-ETHANEDIOL, Enolase, ZINC ION, ...
著者Navarro, M.V.A.S, Rigden, D.J, Garratt, R.C, Dias, S.M.G.
登録日2007-05-08
公開日2007-11-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural flexibility in Trypanosoma brucei enolase revealed by X-ray crystallography and molecular dynamics.
Febs J., 274, 2007
3EWH
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BU of 3ewh by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a pyridyl-pyrimidine benzimidazole inhibitor
分子名称: 1,2-ETHANEDIOL, N-[4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine, vascular endothelial growth factor receptor 2
著者Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H.
登録日2008-10-15
公開日2009-08-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase.
Bioorg.Med.Chem.Lett., 19, 2009
3MB8
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BU of 3mb8 by Molmil
Crystal structure of purine nucleoside phosphorylase from toxoplasma gondii in complex with immucillin-H
分子名称: 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, GLYCEROL, PHOSPHATE ION, ...
著者Ho, M, Almo, S.C, Schramm, V.L.
登録日2010-03-25
公開日2011-04-06
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Inhibition and Structure of Toxoplasma gondii Purine Nucleoside Phosphorylase.
Eukaryot Cell, 13, 2014
2DE3
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BU of 2de3 by Molmil
Crystal structure of DSZB C27S mutant in complex with 2'-hydroxybiphenyl-2-sulfinic acid
分子名称: 2'-HYDROXY-1,1'-BIPHENYL-2-SULFINIC ACID, ACETATE ION, DIBENZOTHIOPHENE DESULFURIZATION ENZYME B, ...
著者Lee, W.C, Ohshiro, T, Matsubara, T, Izumi, Y, Tanokura, M.
登録日2006-02-08
公開日2006-08-01
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure and desulfurization mechanism of 2'-hydroxybiphenyl-2-sulfinic acid desulfinase.
J.Biol.Chem., 281, 2006
5QH8
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BU of 5qh8 by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with PCM-0102558
分子名称: 1-[(2S)-2-(4-methoxyphenyl)-2,3,6,7-tetrahydro-1H-azepin-1-yl]ethan-1-one, ACETATE ION, Peroxisomal coenzyme A diphosphatase NUDT7
著者Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2018-05-15
公開日2019-03-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
6QP7
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BU of 6qp7 by Molmil
Drosophila Semaphorin 2a
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Robinson, R.A, Rozbesky, D, Harlos, K, Siebold, C, Jones, E.Y.
登録日2019-02-13
公開日2019-08-21
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Diversity of oligomerization in Drosophila semaphorins suggests a mechanism of functional fine-tuning.
Nat Commun, 10, 2019
1IN2
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BU of 1in2 by Molmil
Peptide Antagonist of IGFBP1, (i,i+7) Covalently Restrained Analog
分子名称: IGFBP-1 antagonist, PENTANE
著者Skelton, N.J, Chen, Y.M, Dubree, N, Quan, C, Jackson, D.Y, Cochran, A.G, Zobel, K, Deshayes, K, Baca, M, Pisabarro, M.T, Lowman, H.B.
登録日2001-05-11
公開日2001-05-30
最終更新日2024-11-13
実験手法SOLUTION NMR
主引用文献Structure-function analysis of a phage display-derived peptide that binds to insulin-like growth factor binding protein 1.
Biochemistry, 40, 2001
5QJ9
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BU of 5qj9 by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z768399682
分子名称: 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ...
著者Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F.
登録日2018-11-12
公開日2018-12-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
4GY9
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Crystal Structure of Medicago truncatula Nodulin 13 (MtN13) in complex with N6-isopentenyladenine (2iP)
分子名称: MALONATE ION, MtN13 protein, N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE, ...
著者Ruszkowski, M, Sikorski, M, Jaskolski, M.
登録日2012-09-05
公開日2013-09-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献The landscape of cytokinin binding by a plant nodulin.
Acta Crystallogr.,Sect.D, 69, 2013
5QK7
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BU of 5qk7 by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z1918536193
分子名称: 1,2-ETHANEDIOL, 5-chloro-4-[(1-methyl-1H-pyrazol-4-yl)oxy]pyrimidine, ADP-sugar pyrophosphatase, ...
著者Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F.
登録日2018-10-31
公開日2018-12-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QJM
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PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z328695024
分子名称: 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ...
著者Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F.
登録日2018-10-31
公開日2018-12-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
3DPS
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BU of 3dps by Molmil
X-ray structure of the unliganded uridine phosphorylase from salmonella typhimurium in homodimeric form at 1.8A
分子名称: GLYCEROL, Uridine phosphorylase
著者Mikhailov, A.M, Lashkov, A.A.
登録日2008-07-09
公開日2009-07-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray structure of the unliganded uridine phosphorylase from salmonella typhimurium in homodimeric form at 1.8A
To be Published
2PX2
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BU of 2px2 by Molmil
Crystal structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase domain in complex with SAH (Monoclinic form 1)
分子名称: CHLORIDE ION, Genome polyprotein [Contains: Capsid protein C (Core protein); Envelope protein M (Matrix protein); Major envelope protein E; Non-structural protein 1 (NS1); Non-structural protein 2A (NS2A); Flavivirin protease NS2B regulatory subunit; Flavivirin protease NS3 catalytic subunit; Non-structural protein 4A (NS4A); Non-structural protein 4B (NS4B); RNA-directed RNA polymerase (EC 2.7.7.48) (NS5)], S-ADENOSYL-L-HOMOCYSTEINE
著者Assenberg, R, Ren, J, Verma, A, Walter, T.S, Alderton, D, Hurrelbrink, R.J, Fuller, S.D, Owens, R.J, Stuart, D.I, Grimes, J.M, Oxford Protein Production Facility (OPPF)
登録日2007-05-14
公開日2007-05-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the Murray Valley encephalitis virus NS5 methyltransferase domain in complex with cap analogues.
J.Gen.Virol., 88, 2007
3PX3
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Structure of TylM1 from Streptomyces fradiae H123A mutant in complex with SAH and dTDP-Quip3N
分子名称: 1,2-ETHANEDIOL, N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Holden, H.M, Carney, A.E.
登録日2010-12-09
公開日2010-12-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular Architecture of TylM1 from Streptomyces fradiae: An N,N-Dimethyltransferase Involved in the Production of dTDP-d-mycaminose .
Biochemistry, 50, 2011

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