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3CBU
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BU of 3cbu by Molmil
Crystal structure of a putative glutathione s-transferase (reut_a1011) from ralstonia eutropha jmp134 at 2.05 A resolution
分子名称: 1,2-ETHANEDIOL, PHOSPHATE ION, Probable gst-related protein
著者Joint Center for Structural Genomics (JCSG)
登録日2008-02-22
公開日2008-03-04
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of putative glutathione S-transferase (YP_295234.1) from Ralstonia eutropha JMP134 at 2.05 A resolution
To be published
1HPH
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BU of 1hph by Molmil
STRUCTURE OF HUMAN PARATHYROID HORMONE 1-37 IN SOLUTION
分子名称: HUMAN PARATHYROID HORMONE FRAGMENT 1 - 37
著者Marx, U.C, Roesch, P.
登録日1995-02-14
公開日1995-07-10
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure of human parathyroid hormone 1-37 in solution.
J.Biol.Chem., 270, 1995
4Q8Y
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BU of 4q8y by Molmil
Crystal structure of 2-hydroxyisoquinoline-1(2H)-thione bound to human carbonic anhydrase II
分子名称: 2-hydroxyisoquinoline-1(2H)-thione, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
著者Martin, D.P, Cohen, S.M.
登録日2014-04-28
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
5PA0
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BU of 5pa0 by Molmil
humanized rat COMT in complex with 3-hydroxy-1-methyl-5-phenylpyridin-2-one
分子名称: 1-methyl-3-oxidanyl-5-phenyl-pyridin-2-one, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, CHLORIDE ION, ...
著者Ehler, A, Lerner, C, Rudolph, M.G.
登録日2016-10-19
公開日2017-11-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Crystal Structure of a COMT complex
To be published
3DNG
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BU of 3dng by Molmil
Crystal structure of the complex between MMP-8 and a non-zinc chelating inhibitor
分子名称: (5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide, CALCIUM ION, Neutrophil collagenase, ...
著者Pochetti, G, Montanari, R, Mazza, F.
登録日2008-07-02
公開日2009-03-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Extra Binding Region Induced by Non-Zinc Chelating Inhibitors into the S(1)' Subsite of Matrix Metalloproteinase 8 (MMP-8)
J.Med.Chem., 52, 2009
4MNT
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BU of 4mnt by Molmil
Crystal structure of human DJ-1 in complex with Cu
分子名称: COPPER (II) ION, Protein DJ-1
著者Cendron, L, Girotto, S, Bisaglia, M, Tessari, I, Mammi, S, Zanotti, G, Bubacco, L.
登録日2013-09-11
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.584 Å)
主引用文献DJ-1 Is a Copper Chaperone Acting on SOD1 Activation.
J.Biol.Chem., 289, 2014
4MQ7
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BU of 4mq7 by Molmil
Structure of human CD1d-sulfatide
分子名称: (15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d, ...
著者Luoma, A.M, Adams, E.J.
登録日2013-09-15
公開日2013-12-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.6032 Å)
主引用文献Crystal Structure of V delta 1 T Cell Receptor in Complex with CD1d-Sulfatide Shows MHC-like Recognition of a Self-Lipid by Human gamma delta T Cells.
Immunity, 39, 2013
1TBU
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BU of 1tbu by Molmil
Crystal structure of N-terminal domain of yeast peroxisomal thioesterase-1
分子名称: FORMIC ACID, Peroxisomal acyl-coenzyme A thioester hydrolase 1
著者Devedjiev, Y.D, Li, J, Derewenda, U, Derewenda, Z.S.
登録日2004-05-20
公開日2005-10-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of N-terminal domain of yeast peroxisomal thioesterase-1
To be Published
1RFA
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BU of 1rfa by Molmil
NMR SOLUTION STRUCTURE OF THE RAS-BINDING DOMAIN OF C-RAF-1
分子名称: RAF1
著者Emerson, S.D, Madison, V.S, Palermo, R.E, Waugh, D.S, Scheffler, J.E, Tsao, K.-L, Kiefer, S.E, Liu, S.P, Fry, D.C.
登録日1995-04-26
公開日1996-06-20
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the Ras-binding domain of c-Raf-1 and identification of its Ras interaction surface.
Biochemistry, 34, 1995
3AV5
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BU of 3av5 by Molmil
Crystal structure of mouse DNA methyltransferase 1 with AdoHcy
分子名称: DNA (cytosine-5)-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
著者Takeshita, K, Suetake, I, Yamashita, E, Suga, M, Narita, H, Nakagawa, A, Tajima, S.
登録日2011-02-22
公開日2011-05-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Structural insight into maintenance methylation by mouse DNA methyltransferase 1 (Dnmt1).
Proc.Natl.Acad.Sci.USA, 108, 2011
2RK3
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BU of 2rk3 by Molmil
Structure of A104T DJ-1
分子名称: Protein DJ-1
著者Lakshminarasimhan, M, Maldonado, M.T, Zhou, W, Fink, A.L, Wilson, M.A.
登録日2007-10-16
公開日2008-01-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Structural Impact of Three Parkinsonism-Associated Missense Mutations on Human DJ-1.
Biochemistry, 47, 2008
4MW2
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BU of 4mw2 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1472)
分子名称: 1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
登録日2013-09-24
公開日2014-04-30
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
3AV6
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BU of 3av6 by Molmil
Crystal structure of mouse DNA methyltransferase 1 with AdoMet
分子名称: DNA (cytosine-5)-methyltransferase 1, S-ADENOSYLMETHIONINE, ZINC ION
著者Takeshita, K, Suetake, I, Yamashita, E, Suga, M, Narita, H, Nakagawa, A, Tajima, S.
登録日2011-02-22
公開日2011-05-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Structural insight into maintenance methylation by mouse DNA methyltransferase 1 (Dnmt1).
Proc.Natl.Acad.Sci.USA, 108, 2011
3ASX
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BU of 3asx by Molmil
Human Squalene synthase in complex with 1-{4-[{4-chloro-2-[(2-chlorophenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}piperidine-3-carboxylic acid
分子名称: (3R)-1-{4-[{4-chloro-2-[(S)-(2-chlorophenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}piperidine-3-carboxylic acid, PHOSPHATE ION, Squalene synthase
著者Shimizu, H, Suzuki, M, Katakura, S, Yamazaki, K, Higashihashi, N, Ichikawa, M, Yokomizo, A, Itoh, M, Sugita, K, Usui, H.
登録日2010-12-22
公開日2011-12-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of a new 2-aminobenzhydrol template for highly potent squalene synthase inhibitors
Bioorg.Med.Chem., 19, 2011
4OLZ
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BU of 4olz by Molmil
Crystal structure of antibody VRC07-G54W in complex with clade A/E 93TH057 HIV-1 gp120 core
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen binding fragment of heavy chain: Antibody VRC01, Antigen binding fragment of light chain: Antibody VRC01, ...
著者Kwon, Y.D, Kwong, P.D.
登録日2014-01-25
公開日2014-09-03
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Enhanced Potency of a Broadly Neutralizing HIV-1 Antibody In Vitro Improves Protection against Lentiviral Infection In Vivo.
J.Virol., 88, 2014
4G6C
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BU of 4g6c by Molmil
Crystal structure of beta-hexosaminidase 1 from Burkholderia cenocepacia J2315
分子名称: Beta-hexosaminidase 1
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-07-18
公開日2012-08-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Crystal structure of beta-hexosaminidase 1 from Burkholderia cenocepacia J2315
To be Published
1JLV
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BU of 1jlv by Molmil
Anopheles dirus species B glutathione S-transferases 1-3
分子名称: GLUTATHIONE, glutathione transferase GST1-3
著者Oakley, A.J, Harnnoi, T, Udomsinprasert, R, Jirajaroenrat, K, Ketterman, A.J, Wilce, M.C.
登録日2001-07-16
公開日2002-07-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The crystal structures of glutathione S-transferases isozymes 1-3 and 1-4 from Anopheles dirus species B.
Protein Sci., 10, 2001
2XIS
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BU of 2xis by Molmil
A METAL-MEDIATED HYDRIDE SHIFT MECHANISM FOR XYLOSE ISOMERASE BASED ON THE 1.6 ANGSTROMS STREPTOMYCES RUBIGINOSUS STRUCTURES WITH XYLITOL AND D-XYLOSE
分子名称: MAGNESIUM ION, XYLOSE ISOMERASE, Xylitol
著者Whitlow, M, Howard, A.J.
登録日1991-03-25
公開日1992-07-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献A metal-mediated hydride shift mechanism for xylose isomerase based on the 1.6 A Streptomyces rubiginosus structures with xylitol and D-xylose.
Proteins, 9, 1991
2OOM
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BU of 2oom by Molmil
NMR structure of a kissing complex formed between the TAR RNA element of HIV-1 and a LNA/RNA aptamer
分子名称: RNA 16-mer, TAR RNA element of HIV-1
著者Lebars, I, Richard, T, Di Primo, C, Toulme, J.J.
登録日2007-01-26
公開日2008-01-29
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献NMR structure of a kissing complex formed between the TAR RNA element of HIV-1 and a LNA-modified aptamer
Nucleic Acids Res., 35, 2007
3FV3
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BU of 3fv3 by Molmil
Secreted aspartic protease 1 from Candida parapsilosis in complex with pepstatin A
分子名称: GLYCEROL, SULFATE ION, Sapp1p-secreted aspartic protease 1, ...
著者Dostal, J, Brynda, J, Hruskova-Heidingsfeldova, O, Sieglova, I, Pichova, I, Rezacova, P.
登録日2009-01-15
公開日2009-05-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The crystal structure of the secreted aspartic protease 1 from Candida parapsilosis in complex with pepstatin A
J.Struct.Biol., 167, 2009
5OMH
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BU of 5omh by Molmil
p38alpha in complex with pyrazolobenzothiazine inhibitor COXH11
分子名称: 1-(3-chlorophenyl)-3-methyl-4~{H}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide, Mitogen-activated protein kinase 14
著者Buehrmann, M, Rauh, D.
登録日2017-07-31
公開日2019-03-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Co-crystal structure determination and cellular evaluation of 1,4-dihydropyrazolo[4,3-c] [1,2] benzothiazine 5,5-dioxide p38 alpha MAPK inhibitors.
Biochem.Biophys.Res.Commun., 511, 2019
4G9J
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BU of 4g9j by Molmil
Protein Ser/Thr phosphatase-1 in complex with cell-permeable peptide
分子名称: MANGANESE (II) ION, Serine/threonine-protein phosphatase PP1-alpha catalytic subunit, synthetic peptide
著者Sukackaite, R, Chatterjee, J, Beullens, M, Bollen, M, Koehn, M, Hart, D.J.
登録日2012-07-24
公開日2012-09-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Development of a Peptide that Selectively Activates Protein Phosphatase-1 in Living Cells.
Angew.Chem.Int.Ed.Engl., 51, 2012
4OD0
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Crystal structure of human soluble epoxide hydrolase complexed with 1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea
分子名称: 1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ...
著者Lee, K.S.S, Liu, J, Wagner, K.M, Pakhomova, S, Dong, H, Morisseau, C, Fu, S.H, Yang, J, Wang, P, Ulu, A, Mate, C, Nguyen, L, Wullf, H, Eldin, M.L, Mara, A.A, Newcomer, M.E, Zeldin, D.C, Hammock, B.D.
登録日2014-01-09
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Optimized inhibitors of soluble epoxide hydrolase improve in vitro target residence time and in vivo efficacy.
J.Med.Chem., 57, 2014
2XT1
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Crystal structure of the HIV-1 capsid protein C-terminal domain (146- 231) in complex with a camelid VHH.
分子名称: CAMELID VHH 9, GAG POLYPROTEIN, GLYCEROL
著者Igonet, S, Vaney, M.C, Bartonova, V, Helma, J, Rothbauer, U, Leonhardt, H, Stura, E, Krausslich, H.-G, Rey, F.A.
登録日2010-10-03
公開日2011-10-12
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Targeting HIV-1 Virion Formation with Nanobodies -Implications for the Design of Assembly Inhibitors
To be Published
4M84
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Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1455
分子名称: 5-amino-1-tert-butyl-3-(quinolin-2-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2013-08-12
公開日2013-10-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Potent and selective inhibitors of CDPK1 from T. gondii and C. parvum based on a 5-aminopyrazole-4-carboxamide scaffold.
ACS Med Chem Lett, 5, 2014

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