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3IDO
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BU of 3ido by Molmil
Crystal structure of protein tyrosine phosphatase from Entamoeba histolytica with a phosphotyrosine crude mimic HEPES molecule in the active site
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Protein tyrosine phosphatase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-07-21
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure and putative substrate identification for the Entamoeba histolytica low molecular weight tyrosine phosphatase.
Mol.Biochem.Parasitol., 193, 2014
2ZZ0
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BU of 2zz0 by Molmil
Crystal structure of human thioredoxin reductase I (SeCys 498 Cys)
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, Thioredoxin reductase 1, ...
著者Lo, Y.C, Ko, T.P, Wang, A.H.J.
登録日2009-02-02
公開日2009-08-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Terpyridine-platinum(II) complexes are effective inhibitors of mammalian topoisomerases and human thioredoxin reductase 1.
J.Inorg.Biochem., 103, 2009
2ZZB
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BU of 2zzb by Molmil
Crystal structure of human thioredoxin reductase I and terpyridine platinum(II)
分子名称: 2,2':6',2''-TERPYRIDINE PLATINUM(II) Chloride, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ...
著者Lo, Y.C, Ko, T.P, Wang, A.H.J.
登録日2009-02-09
公開日2009-08-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Terpyridine-platinum(II) complexes are effective inhibitors of mammalian topoisomerases and human thioredoxin reductase 1.
J.Inorg.Biochem., 103, 2009
3II4
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BU of 3ii4 by Molmil
Structure of mycobacterial lipoamide dehydrogenase bound to a triazaspirodimethoxybenzoyl inhibitor
分子名称: Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(2,4-dichlorophenyl)ethyl]-2-{8-[(2,4-dimethoxyphenyl)carbonyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl}acetamide
著者Lima, C.D.
登録日2009-07-31
公開日2010-01-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Triazaspirodimethoxybenzoyls as selective inhibitors of mycobacterial lipoamide dehydrogenase .
Biochemistry, 49, 2010
3A3O
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BU of 3a3o by Molmil
Crystal structure of complex between SA-subtilisin and Tk-propeptide with deletion of the five C-terminal residues
分子名称: CALCIUM ION, Tk-subtilisin, ZINC ION
著者Tanaka, S, Matsumura, H, Koga, Y, Takano, K, Kanaya, S.
登録日2009-06-15
公開日2009-08-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of the interactions critical for propeptide-catalyzed folding of Tk-subtilisin
J.Mol.Biol., 394, 2009
3A29
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BU of 3a29 by Molmil
Crystal structure of human liver FBPase in complex with tricyclic inhibitor
分子名称: 2-amino-4,5-dihydronaphtho[1,2-d][1,3]thiazol-8-yl dihydrogen phosphate, Fructose-1,6-bisphosphatase 1
著者Takahashi, M, Sone, J, Hanzawa, H.
登録日2009-05-08
公開日2009-10-06
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Synthesis, SAR, and X-ray structure of tricyclic compounds as potent FBPase inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
2J25
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BU of 2j25 by Molmil
Partially deglycosylated glucoceramidase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLUCOSYLCERAMIDASE, ...
著者Brumshtein, B, Wormald, M.R, Silman, I, Futerman, A.H, Sussman, J.L.
登録日2006-08-16
公開日2006-12-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural Comparison of Differently Glycosylated Forms of Acid-Beta-Glucosidase, the Defective Enzyme in Gaucher Disease
Acta Crystallogr.,Sect.D, 62, 2006
3I78
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BU of 3i78 by Molmil
35/99/170/186/220-loops of FXa in SGT
分子名称: BENZAMIDINE, SODIUM ION, SULFATE ION, ...
著者Page, M.J, Di Cera, E.
登録日2009-07-08
公開日2010-06-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Combinatorial Enzyme Design Probes Allostery and Cooperativity in the Trypsin Fold.
J.Mol.Biol., 399, 2010
3A2C
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BU of 3a2c by Molmil
Crystal structure of a pyrazolopyrimidine inhibitor complex bound to MAPKAP Kinase-2 (MK2)
分子名称: MAP kinase-activated protein kinase 2, N~7~-(4-ethoxyphenyl)-6-methyl-N~5~-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine, SULFATE ION
著者Fujino, A, Takimoto-Kamimura, M.
登録日2009-05-12
公開日2010-05-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural analysis of an MK2-inhibitor complex: insight into the regulation of the secondary structure of the Gly-rich loop by TEI-I01800
Acta Crystallogr.,Sect.D, 66, 2010
2SGE
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BU of 2sge by Molmil
GLU 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B AT PH 10.7
分子名称: Ovomucoid, PHOSPHATE ION, POTASSIUM ION, ...
著者Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G.
登録日1999-03-25
公開日2003-08-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Water molecules participate in proteinase-inhibitor interactions: crystal structures of Leu18, Ala18, and Gly18 variants of turkey ovomucoid inhibitor third domain complexed with Streptomyces griseus proteinase B.
Protein Sci., 4, 1995
305D
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BU of 305d by Molmil
SIDE-BY-SIDE BINDING OF DISTAMYCIN MOLECULES TO D(ICATATIC) IN THE TETRAGONAL FORM
分子名称: DISTAMYCIN A, DNA (5'-D(*IP*CP*AP*TP*AP*TP*IP*C)-3'), MAGNESIUM ION
著者Chen, X, Ramakrishnan, B, Sundaralingam, M.
登録日1997-01-03
公開日1997-09-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Crystal structures of the side-by-side binding of distamycin to AT-containing DNA octamers d(ICITACIC) and d(ICATATIC).
J.Mol.Biol., 267, 1997
3A59
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BU of 3a59 by Molmil
Structure of Hemoglobin from flightless bird (Struthio camelus)
分子名称: Hemoglobin subunit alpha-A, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
著者Jaimohan, S.M, Naresh, M.D, Mandal, A.B.
登録日2009-08-03
公開日2009-08-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.41 Å)
主引用文献Structure of Hemoglobin from flightless bird (Struthio camelus)
to be published
3IEZ
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BU of 3iez by Molmil
Crystal structure of the RasGAP C-terminal (RGC) domain of IQGAP2
分子名称: Ras GTPase-activating-like protein IQGAP2, UNKNOWN ATOM OR ION
著者Nedyalkova, L, Tempel, W, Tong, Y, Zhong, N, Crombet, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2009-07-23
公開日2009-11-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of the RasGAP C-terminal (RGC) domain of IQGAP2
To be Published
3A7W
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BU of 3a7w by Molmil
Crystal Structure of Trypsin complexed with (E)-4-((tetrahydro-2H-pyran-2-yloxyimino)methyl)benzimidamide (soaking 4hours)
分子名称: (E)-4-((tetrahydro-2H-pyran-2-yloxyimino)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Tanaka, I.
登録日2009-10-05
公開日2010-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献In-Crystal Chemical Ligation for Drug Discovery
To be Published
3ITP
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BU of 3itp by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS F34K at cryogenic temperature
分子名称: CALCIUM ION, Nuclease A, THYMIDINE-3',5'-DIPHOSPHATE
著者Khangulov, V.S, Schlessman, J.L, Heroux, A, Garcia-Moreno, E.B.
登録日2009-08-28
公開日2010-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of Staphylococcal nuclease variant Delta+PHS F34K at cryogenic temperature
To be Published
3A88
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BU of 3a88 by Molmil
Crystal Structure of Trypsin complexed with (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide (soaking 30 minutes)
分子名称: (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Tanaka, I.
登録日2009-10-05
公開日2010-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献In-Crystal Chemical Ligation for Drug Discovery
To be Published
2RNM
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BU of 2rnm by Molmil
Structure of The HET-s(218-289) prion in its amyloid form obtained by solid-state NMR
分子名称: Small s protein
著者Wasmer, C, Lange, A, Van Melckebeke, H, Siemer, A, Riek, R, Meier, B.H.
登録日2008-01-24
公開日2008-04-01
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Amyloid fibrils of the HET-s(218-289) prion form a beta solenoid with a triangular hydrophobic core
Science, 319, 2008
2RFX
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BU of 2rfx by Molmil
Crystal Structure of HLA-B*5701, presenting the self peptide, LSSPVTKSF
分子名称: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
著者Archbold, J.K, Macdonald, W.A, Rossjohn, J, McCluskey, J.
登録日2007-10-02
公開日2008-07-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Human leukocyte antigen class I-restricted activation of CD8+ T cells provides the immunogenetic basis of a systemic drug hypersensitivity
Immunity, 28, 2008
2HK4
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BU of 2hk4 by Molmil
Dimeric solution structure of the cyclic octamer d(CCGTCCGT)
分子名称: 5'-D(P*CP*CP*GP*TP*CP*CP*GP*T)-3'
著者Escaja, N, Gomez-Pinto, I, Pedroso, E, Gonzalez, C.
登録日2006-07-03
公開日2007-03-20
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Four-stranded DNA structures can be stabilized by two different types of minor groove G:C:G:C tetrads.
J.Am.Chem.Soc., 129, 2007
3A1J
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BU of 3a1j by Molmil
Crystal structure of the human Rad9-Hus1-Rad1 complex
分子名称: Cell cycle checkpoint control protein RAD9A, Cell cycle checkpoint protein RAD1, Checkpoint protein HUS1, ...
著者Sohn, S.Y, Cho, Y.
登録日2009-04-08
公開日2009-06-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of the Human Rad9-Hus1-Rad1 Clamp
J.Mol.Biol., 390, 2009
306D
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BU of 306d by Molmil
SIDE-BY-SIDE BINDING OF DISTAMYCIN MOLECULES TO D(ICITACIC)
分子名称: DISTAMYCIN A, DNA (5'-D(*IP*CP*IP*TP*AP*CP*IP*C)-3'), MAGNESIUM ION
著者Chen, X, Ramakrishnan, B, Sundaralingam, M.
登録日1997-01-03
公開日1997-09-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures of the side-by-side binding of distamycin to AT-containing DNA octamers d(ICITACIC) and d(ICATATIC).
J.Mol.Biol., 267, 1997
3IMD
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BU of 3imd by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a Flexible Ac-pY-Q-N-NH2 Tripeptide Mimic
分子名称: CHLORIDE ION, Growth factor receptor-bound protein 2, MAGNESIUM ION, ...
著者Clements, J.H.
登録日2009-08-10
公開日2009-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Thermodynamic and Structural Effects of Conformational Constraints in Protein-Ligand Interactions. Entropic Paradoxy Associated with Ligand Preorganization.
J.Am.Chem.Soc., 131, 2009
3A7V
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BU of 3a7v by Molmil
Crystal Structure of Trypsin complexed with 3-formylbenzimidamide
分子名称: 3-formylbenzenecarboximidamide, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Tanaka, I.
登録日2009-10-05
公開日2010-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献In-Crystal Chemical Ligation for Drug Discovery
To be Published
3A87
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BU of 3a87 by Molmil
Crystal Structure of Trypsin complexed with (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide (soaking 5 minutes)
分子名称: (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Tanaka, I.
登録日2009-10-05
公開日2010-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献In-Crystal Chemical Ligation for Drug Discovery
To be Published
2SGF
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BU of 2sgf by Molmil
PHE 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B
分子名称: Ovomucoid, PHOSPHATE ION, Streptogrisin B
著者Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G.
登録日1999-03-25
公開日2003-08-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Recruitment of a Buried K+ Ion to Stabilize the Negative Charge of Ionized P1 in the Hydrophobic Pocket: Crystal Structures of Glu18, Gln18, Asp18 and Asn18 Variants of Turkey Ovomucoid Inhibitor Third Domain Complexed with Streptomyces griseus Protease B at Various pHs
To be Published

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件を2024-08-14に公開中

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