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1TXI
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BU of 1txi by Molmil
Crystal structure of the vdr ligand binding domain complexed to TX522
分子名称: (1R,3R)-5-((Z)-2-((1R,7AS)-HEXAHYDRO-1-((S)-6-HYDROXY-6-METHYLHEPT-4-YN-2-YL)-7A-METHYL-1H-INDEN-4(7AH)-YLIDENE)ETHYLIDENE)CYCLOHEXANE-1,3-DIOL, Vitamin D receptor
著者Moras, D, Rochel, N.
登録日2004-07-05
公開日2005-05-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Superagonistic Action of 14-epi-Analogs of 1,25-Dihydroxyvitamin D Explained by Vitamin D Receptor-Coactivator Interaction
Mol.Pharmacol., 67, 2005
3CVM
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BU of 3cvm by Molmil
High resolution structure of a stable Plasminogen activator inhibitor type-1 in its protease cleaved form
分子名称: Plasminogen activator inhibitor 1
著者Jensen, J.K, Gettins, P.G.W.
登録日2008-04-18
公開日2008-08-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献High-resolution structure of the stable plasminogen activator inhibitor type-1 variant 14-1B in its proteinase-cleaved form: a new tool for detailed interaction studies and modeling.
Protein Sci., 17, 2008
4OT1
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BU of 4ot1 by Molmil
Structural Basis for the Recognition of Human Cytomegalovirus Glycoprotein B by the Neutralizing Human Antibody SM5-1
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Envelope glycoprotein B, ...
著者Diestel, U, Muller, Y.A.
登録日2014-02-13
公開日2014-08-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structural basis for the recognition of human cytomegalovirus glycoprotein B by a neutralizing human antibody.
Plos Pathog., 10, 2014
2RRM
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BU of 2rrm by Molmil
Interplay between phosphatidyl-inositol-phosphates and claudins upon binding to the 1st PDZ domain of zonula occludens 1
分子名称: Tight junction protein ZO-1
著者Hiroaki, H, Satomura, K, Goda, N, Umetsu, Y, Taniguchi, R, Ikegami, T, Furuse, M.
登録日2011-01-06
公開日2011-05-25
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献1H, 13C, and 15N resonance assignment of the first PDZ domain of mouse ZO-1
Biomol.Nmr Assign., 5, 2011
4BGK
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BU of 4bgk by Molmil
Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with (3-(Trimethylammonio)propyl)phosphinate
分子名称: GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, N-OXALYLGLYCINE, ...
著者Tars, K, Leitans, J, Kazaks, A.
登録日2013-03-27
公開日2014-03-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
2E3Z
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BU of 2e3z by Molmil
Crystal structure of intracellular family 1 beta-glucosidase BGL1A from the basidiomycete Phanerochaete chrysosporium in substrate-free form
分子名称: Beta-glucosidase
著者Nijikken, Y, Tsukada, T, Igarashi, K, Samejima, M, Fushinobu, S.
登録日2006-12-01
公開日2007-03-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of intracellular family 1 beta-glucosidase BGL1A from the basidiomycete Phanerochaete chrysosporium
Febs Lett., 581, 2007
1YQ2
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BU of 1yq2 by Molmil
beta-galactosidase from Arthrobacter sp. C2-2 (isoenzyme C2-2-1)
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Skalova, T, Dohnalek, J, Spiwok, V, Lipovova, P, Vondrackova, E, Petrokova, H, Strnad, H, Kralova, B, Hasek, J.
登録日2005-02-01
公開日2005-10-04
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Cold-active beta-Galactosidase from Arthrobacter sp. C2-2 Forms Compact 660kDa Hexamers: Crystal Structure at 1.9A Resolution
J.Mol.Biol., 353, 2005
5O19
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BU of 5o19 by Molmil
Japanese encephalitis virus non-structural protein 1 C-terminal domain
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Genome polyprotein, SULFATE ION
著者Poonsiri, T, Wright, G.S.A, Antonyuk, S.V.
登録日2017-05-18
公開日2018-01-24
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Study of the C-Terminal Domain of Nonstructural Protein 1 from Japanese Encephalitis Virus.
J. Virol., 92, 2018
1QT1
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BU of 1qt1 by Molmil
CRYSTAL STRUCTURE OF XYLOSE ISOMERASE FROM STREPTOMYCES DIASTATICUS NO.7 M1033 AT 1.85 A RESOLUTION
分子名称: COBALT (II) ION, PROTEIN (XYLOSE ISOMERASE)
著者Niu, L, Teng, M, Zhu, X.
登録日1999-06-29
公開日2000-06-29
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of xylose isomerase from Streptomyces diastaticus no. 7 strain M1033 at 1.85 A resolution.
Acta Crystallogr.,Sect.D, 56, 2000
1YFC
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BU of 1yfc by Molmil
Solution nmr structure of a yeast iso-1-ferrocytochrome C
分子名称: HEME C, YEAST ISO-1-FERROCYTOCHROME C
著者Baistrocchi, P, Banci, L, Bertini, I, Turano, P, Bren, K.L, Gray, H.B.
登録日1996-08-08
公開日1997-03-12
最終更新日2021-11-03
実験手法SOLUTION NMR
主引用文献Three-dimensional solution structure of Saccharomyces cerevisiae reduced iso-1-cytochrome c.
Biochemistry, 35, 1996
2SDF
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BU of 2sdf by Molmil
SOLUTION NMR STRUCTURE OF STROMAL CELL-DERIVED FACTOR-1 (SDF-1), 30 STRUCTURES
分子名称: STROMAL CELL-DERIVED FACTOR-1
著者Crump, M.P, Rajarathnam, K, Clark-Lewis, I, Sykes, B.D.
登録日1998-03-07
公開日1998-06-17
最終更新日2024-10-16
実験手法SOLUTION NMR
主引用文献Solution structure and basis for functional activity of stromal cell-derived factor-1; dissociation of CXCR4 activation from binding and inhibition of HIV-1.
EMBO J., 16, 1997
1YIC
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BU of 1yic by Molmil
THE OXIDIZED SACCHAROMYCES CEREVISIAE ISO-1-CYTOCHROME C, NMR, 20 STRUCTURES
分子名称: CYTOCHROME C, ISO-1, HEME C
著者Banci, L, Bertini, I, Bren, K.L, Gray, H.B, Sompornpisut, P, Turano, P.
登録日1997-02-18
公開日1997-07-23
最終更新日2021-11-03
実験手法SOLUTION NMR
主引用文献Solution structure of oxidized Saccharomyces cerevisiae iso-1-cytochrome c.
Biochemistry, 36, 1997
1CHO
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BU of 1cho by Molmil
CRYSTAL AND MOLECULAR STRUCTURES OF THE COMPLEX OF ALPHA-*CHYMOTRYPSIN WITH ITS INHIBITOR TURKEY OVOMUCOID THIRD DOMAIN AT 1.8 ANGSTROMS RESOLUTION
分子名称: ALPHA-CHYMOTRYPSIN A, TURKEY OVOMUCOID THIRD DOMAIN (OMTKY3)
著者Fujinaga, M, Sielecki, A.R, Read, R.J, Ardelt, W, Laskowskijunior, M, James, M.N.G.
登録日1988-03-04
公開日1988-07-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal and molecular structures of the complex of alpha-chymotrypsin with its inhibitor turkey ovomucoid third domain at 1.8 A resolution.
J.Mol.Biol., 195, 1987
2J6A
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BU of 2j6a by Molmil
Structure of S. cerevisiae Trm112 protein, a methyltransferase activator
分子名称: 1,2-ETHANEDIOL, PROTEIN TRM112, ZINC ION
著者Heurgue-Hamard, V, Graille, M, Scrima, N, Ulryck, N, Champ, S, Van Tilbeurgh, H, Buckingham, R.H.
登録日2006-09-27
公開日2006-09-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Zinc Finger Protein Ynr046W is Plurifunctional and a Component of the Erf1 Methyltransferase in Yeast.
J.Biol.Chem., 281, 2006
3CSJ
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BU of 3csj by Molmil
Human glutathione s-transferase p1-1 in complex with chlorambucil
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORAMBUCIL, CHLORIDE ION, ...
著者Parker, L.J.
登録日2008-04-09
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The anti-cancer drug chlorambucil as a substrate for the human polymorphic enzyme glutathione transferase P1-1: kinetic properties and crystallographic characterisation of allelic variants.
J.Mol.Biol., 380, 2008
3D4F
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BU of 3d4f by Molmil
SHV-1 beta-lactamase complex with LN1-255
分子名称: (3R)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
著者Pattanaik, P, Bethel, C.R, Hujer, A.M, Bonomo, R.A, Buynak, J.D, van den Akker, F.
登録日2008-05-14
公開日2009-02-10
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Strategic Design of an Effective {beta}-Lactamase Inhibitor: LN-1-255, A 6-ALKYLIDENE-2'-SUBSTITUTED PENICILLIN SULFONE
J.Biol.Chem., 284, 2009
4ARW
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BU of 4arw by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ...
著者Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Westwood, N.J, Gray, D, Naismith, J.H.
登録日2012-04-26
公開日2012-10-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.204 Å)
主引用文献Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
3VT3
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BU of 3vt3 by Molmil
Crystal structures of rat VDR-LBD with R270L mutation
分子名称: 1,2-ETHANEDIOL, 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, COACTIVATOR PEPTIDE DRIP, ...
著者Nakabayashi, M, Shimizu, M, Ikura, T, Ito, N.
登録日2012-05-19
公開日2013-05-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of hereditary vitamin D-resistant rickets-associated vitamin D receptor mutants R270L and W282R bound to 1,25-dihydroxyvitamin D3 and synthetic ligands.
J.Med.Chem., 56, 2013
1P7Q
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BU of 1p7q by Molmil
Crystal Structure of HLA-A2 Bound to LIR-1, a Host and Viral MHC Receptor
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
著者Willcox, B.E, Thomas, L.M, Bjorkman, P.J.
登録日2003-05-05
公開日2003-10-14
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Crystal structure of HLA-A2 bound to LIR-1, a host and viral major histocompatibility complex receptor.
Nat.Immunol., 4, 2003
3VQ7
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BU of 3vq7 by Molmil
HIV-1 IN core domain in complex with 4-(1H-pyrrol-1-yl)aniline
分子名称: 4-(1H-pyrrol-1-yl)aniline, CADMIUM ION, POL polyprotein, ...
著者Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J.
登録日2012-03-20
公開日2013-01-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
3QUV
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BU of 3quv by Molmil
Crystal structure of a tRNA-guanine-N1-methyltransferase from Mycobacterium abscessus
分子名称: 1,2-ETHANEDIOL, tRNA (guanine-N(1)-)-methyltransferase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-02-24
公開日2011-03-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3VSF
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BU of 3vsf by Molmil
Crystal structure of 1,3Gal43A, an exo-beta-1,3-Galactanase from Clostridium thermocellum
分子名称: GLYCEROL, Ricin B lectin
著者Jiang, D, Fan, J, Wang, X, Zhao, Y, Huang, B, Zhang, X.C.
登録日2012-04-25
公開日2012-12-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.757 Å)
主引用文献Crystal structure of 1,3Gal43A, an exo-beta-1,3-galactanase from Clostridium thermocellum
J.Struct.Biol., 180, 2012
1GPT
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BU of 1gpt by Molmil
SOLUTION STRUCTURE OF GAMMA 1-H AND GAMMA 1-P THIONINS FROM BARLEY AND WHEAT ENDOSPERM DETERMINED BY 1H-NMR: A STRUCTURAL MOTIF COMMON TO TOXIC ARTHROPOD PROTEINS
分子名称: GAMMA-1-H THIONIN
著者Bruix, M, Jimenez, M.A, Santoro, J, Gonzalez, C, Colilla, F.J, Mendez, E, Rico, M.
登録日1992-07-29
公開日1993-10-31
最終更新日2024-10-23
実験手法SOLUTION NMR
主引用文献Solution structure of gamma 1-H and gamma 1-P thionins from barley and wheat endosperm determined by 1H-NMR: a structural motif common to toxic arthropod proteins.
Biochemistry, 32, 1993
3DBD
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BU of 3dbd by Molmil
Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 094
分子名称: 3'-chloro-5'-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)biphenyl-2-carboxamide, Polo-like kinase 1
著者Elling, R.A, Barr, K.J, Romanowski, M.J.
登録日2008-05-31
公開日2008-10-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
7VZV
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BU of 7vzv by Molmil
Active state CI from Q10 dataset, Subclass 1
分子名称: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ADENOSINE-5'-DIPHOSPHATE, ...
著者Gu, J.K, Yang, M.J.
登録日2021-11-16
公開日2022-12-14
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022

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