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3EUH
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BU of 3euh by Molmil
Crystal Structure of the MukE-MukF Complex
分子名称: Chromosome partition protein mukF, GLYCINE, MukE
著者Suh, M.K, Ku, B, Ha, N.C, Woo, J.S, Oh, B.H.
登録日2008-10-10
公開日2009-01-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural studies of a bacterial condensin complex reveal ATP-dependent disruption of intersubunit interactions.
Cell(Cambridge,Mass.), 136, 2009
4AWP
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BU of 4awp by Molmil
Complex of HSP90 ATPase domain with tropane derived inhibitors
分子名称: HEAT SHOCK PROTEIN HSP 90-ALPHA, N-{(3-endo)-8-[5-(benzylcarbamoyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2,5-dimethylbenzene-1,4-dicarboxamide
著者Lougheed, J.C, Stout, T.J.
登録日2012-06-05
公開日2012-08-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90.
Bioorg.Med.Chem.Lett., 22, 2012
3R4Y
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BU of 3r4y by Molmil
Crystal structure of alpha-neoagarobiose hydrolase (ALPHA-NABH) from Saccharophagus degradans 2-40
分子名称: Glycosyl hydrolase family 32, N terminal
著者Lee, S, Lee, J.Y, Ha, S.C, Shin, D.H, Kim, K.H, Bang, W.G, Kim, S.H, Choi, I.G.
登録日2011-03-18
公開日2012-02-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a key enzyme in the agarolytic pathway, alpha-neoagarobiose hydrolase from Saccharophagus degradans 2-40
Biochem.Biophys.Res.Commun., 412, 2011
4R91
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BU of 4r91 by Molmil
BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((1S,3R)-3-(cyclopentylamino)cyclohexyl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium
分子名称: (2E,5R)-5-(2-cyclohexylethyl)-5-{[(1S,3R)-3-(cyclopentylamino)cyclohexyl]methyl}-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P, Caldwell, J.P, Strickland, C.
登録日2014-09-03
公開日2014-11-05
最終更新日2014-12-17
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4R95
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BU of 4r95 by Molmil
BACE-1 in complex with 2-(((1R,3S)-3-(((R)-4-(2-cyclohexylethyl)-2-iminio-1-methyl-5-oxoimidazolidin-4-yl)methyl)cyclohexyl)amino)quinolin-1-ium
分子名称: (2E,5R)-5-(2-cyclohexylethyl)-2-imino-3-methyl-5-{[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl}imidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P, Strickland, C, Caldwell, J.P.
登録日2014-09-03
公開日2014-11-05
最終更新日2014-12-17
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4R92
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BU of 4r92 by Molmil
BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((1S,3R)-3-(isonicotinamido)cyclohexyl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium
分子名称: Beta-secretase 1, L(+)-TARTARIC ACID, N-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]pyridine-4-carboxamide
著者Orth, P, Strickland, C, Caldwell, J.P.
登録日2014-09-03
公開日2014-11-05
最終更新日2014-12-17
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4R8Y
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BU of 4r8y by Molmil
BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((R)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium
分子名称: (2E,5R)-5-(2-cyclohexylethyl)-5-{[(3R)-1-(cyclopentylacetyl)pyrrolidin-3-yl]methyl}-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P, Caldwell, J.P, Strickland, C.
登録日2014-09-03
公開日2014-11-05
最終更新日2014-12-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4R93
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BU of 4r93 by Molmil
BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-1-methyl-5-oxo-4-(((1S,3R)-3-(3-phenylureido)cyclohexyl)methyl)imidazolidin-2-iminium
分子名称: 1-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]-3-phenylurea, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P, Strickland, C, Caldwell, J.P.
登録日2014-09-03
公開日2014-11-05
最終更新日2014-12-17
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
3R4Z
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BU of 3r4z by Molmil
Crystal structure of alpha-neoagarobiose hydrolase (ALPHA-NABH) in complex with alpha-d-galactopyranose from Saccharophagus degradans 2-40
分子名称: Glycosyl hydrolase family 32, N terminal, alpha-D-galactopyranose
著者Lee, S, Lee, J.Y, Ha, S.C, Shin, D.H, Kim, K.H, Bang, W.G, Kim, S.H, Choi, I.G.
登録日2011-03-18
公開日2012-02-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of a key enzyme in the agarolytic pathway, alpha-neoagarobiose hydrolase from Saccharophagus degradans 2-40
Biochem.Biophys.Res.Commun., 412, 2011
2QBR
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BU of 2qbr by Molmil
Crystal structure of ptp1b-inhibitor complex
分子名称: 5-[3-(BENZYLAMINO)PHENYL]-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1
著者Xu, W.
登録日2007-06-18
公開日2008-03-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site.
J.Med.Chem., 50, 2007
2QBQ
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BU of 2qbq by Molmil
Crystal structure of ptp1b-inhibitor complex
分子名称: 4-BROMO-3-(CARBOXYMETHOXY)-5-{3-[(3,3,5,5-TETRAMETHYLCYCLOHEXYL)AMINO]PHENYL}THIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1
著者Xu, W.
登録日2007-06-18
公開日2008-03-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site.
J.Med.Chem., 50, 2007
2QBP
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BU of 2qbp by Molmil
Crystal structure of ptp1b-inhibitor complex
分子名称: 5-(3-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}PHENYL)-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1
著者Xu, W.
登録日2007-06-18
公開日2008-03-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site.
J.Med.Chem., 50, 2007
5X90
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BU of 5x90 by Molmil
Structure of DotL(656-783)-IcmS-IcmW-LvgA derived from Legionella pneumophila
分子名称: Hypothetical virulence protein, IcmO (DotL), IcmS, ...
著者Kim, H, Kwak, M.J, Kim, J.D, Kim, Y.G, Oh, B.H.
登録日2017-03-04
公開日2017-06-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Architecture of the type IV coupling protein complex of Legionella pneumophila
Nat Microbiol, 2, 2017
5C27
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BU of 5c27 by Molmil
Crystal structure of SYK in complex with compound 2
分子名称: 3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}-N-[4-(methylcarbamoyl)phenyl]benzamide, GLU-VAL-TYR-GLU-SER, GLYCEROL, ...
著者Han, S, Chang, J.
登録日2015-06-15
公開日2015-10-07
最終更新日2016-02-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Imidazotriazines: Spleen Tyrosine Kinase (Syk) Inhibitors Identified by Free-Energy Perturbation (FEP).
Chemmedchem, 11, 2016
5C26
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BU of 5c26 by Molmil
Crystal structure of SYK in complex with compound 1
分子名称: 3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzamide, GLU-VAL-PTR-GLU-SER-PRO, Tyrosine-protein kinase SYK
著者Han, S, Chang, J.
登録日2015-06-15
公開日2015-10-07
最終更新日2016-02-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Imidazotriazines: Spleen Tyrosine Kinase (Syk) Inhibitors Identified by Free-Energy Perturbation (FEP).
Chemmedchem, 11, 2016
2KAL
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BU of 2kal by Molmil
NMR structure of fully methylated GATC site
分子名称: 5'-D(*DCP*DGP*DCP*DAP*DGP*(6MA)P*DTP*DCP*DTP*DCP*DGP*DC)-3', 5'-D(*DGP*DCP*DGP*DAP*DGP*(6MA)P*DTP*DCP*DTP*DGP*DCP*DG)-3'
著者Bang, J, Bae, S, Park, C, Lee, J, Choi, B.
登録日2008-11-09
公開日2009-02-10
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural and dynamics study of DNA dodecamer duplexes that contain un-, hemi-, or fully methylated GATC sites.
J.Am.Chem.Soc., 130, 2008
7R40
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BU of 7r40 by Molmil
Structure of the SARS-CoV-2 spike glycoprotein in complex with the 87G7 antibody Fab fragment
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, 87G7 heavy chain variable region, ...
著者Hurdiss, D.L.
登録日2022-02-08
公開日2022-04-20
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献An ACE2-blocking antibody confers broad neutralization and protection against Omicron and other SARS-CoV-2 variants of concern.
Sci Immunol, 7, 2022
3P2F
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BU of 3p2f by Molmil
Crystal structure of TofI in an apo form
分子名称: AHL synthase
著者Yu, S, Rhee, S.
登録日2010-10-02
公開日2011-07-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Small-molecule inhibitor binding to an N-acyl-homoserine lactone synthase
Proc.Natl.Acad.Sci.USA, 108, 2011
3P2H
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BU of 3p2h by Molmil
Crystal structure of TofI in a ternary complex with an inhibitor and MTA
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, AHL synthase, N-(3-oxocyclohex-1-en-1-yl)octanamide
著者Yu, S, Rhee, S.
登録日2010-10-02
公開日2011-07-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Small-molecule inhibitor binding to an N-acyl-homoserine lactone synthase
Proc.Natl.Acad.Sci.USA, 108, 2011
3OUM
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BU of 3oum by Molmil
Crystal Structure of toxoflavin-degrading enzyme in complex with toxoflavin
分子名称: 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione, MANGANESE (II) ION, toxoflavin-degrading enzyme
著者Kim, M.I, Rhee, S.
登録日2010-09-15
公開日2011-08-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and functional analysis of phytotoxin toxoflavin-degrading enzyme
Plos One, 6, 2011
3OUL
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BU of 3oul by Molmil
Crystal Structure of toxoflavin-degrading enzyme in a substrate-free form
分子名称: MANGANESE (II) ION, Toxoflavin-degrading enzyme
著者Kim, M.I, Rhee, S.
登録日2010-09-15
公開日2011-08-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and functional analysis of phytotoxin toxoflavin-degrading enzyme
Plos One, 6, 2011
7V6S
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BU of 7v6s by Molmil
Crystal structure of bacterial peptidase
分子名称: Murein DD-endopeptidase MepS/Murein LD-carboxypeptidase
著者Kim, Y, Lee, W.C.
登録日2021-08-20
公開日2022-08-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.883 Å)
主引用文献The crystal structure fre
To be published
7V6U
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BU of 7v6u by Molmil
Crystal structure of bacterial peptidase
分子名称: 1,2-ETHANEDIOL, D-MALATE, Murein DD-endopeptidase MepS/Murein LD-carboxypeptidase
著者Kim, Y, Lee, W.C.
登録日2021-08-20
公開日2022-08-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.144 Å)
主引用文献The crystal structure of bacterial DD-endopeptidase
To be published
7V6T
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BU of 7v6t by Molmil
Crystal structure of bacterial peptidase
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, Murein DD-endopeptidase MepS/Murein LD-carboxypeptidase
著者Kim, Y, Lee, W.C.
登録日2021-08-20
公開日2022-08-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.495 Å)
主引用文献Crystal structure of bacterial DD-endopeptidase
To be published
5XV9
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BU of 5xv9 by Molmil
Solution Structure of Cold Shock Protein from Colwellia psychrerythraea
分子名称: Cold-shock DNA-binding domain family protein
著者Lee, Y, Kim, Y.
登録日2017-06-27
公開日2018-07-04
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Tyr51: Key Determinant of the Low Thermostability of the Colwellia psychrerythraea Cold-Shock Protein.
Biochemistry, 57, 2018

221051

件を2024-06-12に公開中

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