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2OAX
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BU of 2oax by Molmil
Crystal structure of the S810L mutant mineralocorticoid receptor associated with SC9420
分子名称: Mineralocorticoid receptor, SPIRONOLACTONE
著者Huyet, J, Pinon, G.M, Fay, M.R, Rafestin-Oblin, M.E, Fagart, J.
登録日2006-12-18
公開日2007-08-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structural basis of spirolactone recognition by the mineralocorticoid receptor
Mol.Pharmacol., 72, 2007
4CDQ
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BU of 4cdq by Molmil
Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP2
分子名称: 4-((5-(2-oxo-3-(pyridin-4-yl)imidazolidin-1-yl)pentyl)oxy)benzaldehyde O-ethyl oxime, SODIUM ION, VP1, ...
著者DeColibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I.
登録日2013-11-05
公開日2014-02-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules
Nat.Struct.Mol.Biol., 21, 2014
3F75
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BU of 3f75 by Molmil
Activated Toxoplasma gondii cathepsin L (TgCPL) in complex with its propeptide
分子名称: 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ...
著者Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2008-11-07
公開日2008-11-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Toxoplasma gondii cathepsin L is the primary target of the invasion-inhibitory compound morpholinurea-leucyl-homophenyl-vinyl sulfone phenyl.
J.Biol.Chem., 284, 2009
7FZ1
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BU of 7fz1 by Molmil
Crystal Structure of human FABP4 in complex with 3-[(E)-anilino-(2-oxo-1H-indol-3-ylidene)methyl]sulfanylpropanoic acid
分子名称: 3-{[(E)-anilino(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]sulfanyl}propanoic acid, FORMIC ACID, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst, U, Mischke, S, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
3ZK6
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BU of 3zk6 by Molmil
Crystal structure of Bcl-xL in complex with inhibitor (Compound 2).
分子名称: BCL-2-LIKE PROTEIN 1, N-(3-(5-(1-(2-(benzo[d]thiazol-2-yl)hydrazono)ethyl)furan-2-yl)phenylsulfonyl)-6-phenylhexanamide
著者Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M.
登録日2013-01-22
公開日2013-04-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structure-Guided Design of a Selective Bcl-Xl Inhibitor
Nat.Chem.Biol., 9, 2013
5M3D
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BU of 5m3d by Molmil
Structural tuning of CD81LEL (space group P31)
分子名称: 1,2-ETHANEDIOL, CD81 antigen, PHOSPHATE ION
著者Cunha, E.S, Sfriso, P, Rojas, A.L, Roversi, P, Hospital, A, Orozco, M, Abrescia, N.G.
登録日2016-10-14
公開日2016-12-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Mechanism of Structural Tuning of the Hepatitis C Virus Human Cellular Receptor CD81 Large Extracellular Loop.
Structure, 25, 2017
5TKQ
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BU of 5tkq by Molmil
Crystal structure of human 3HAO with zinc bound in the active site
分子名称: 3-hydroxyanthranilate 3,4-dioxygenase, SULFATE ION, ZINC ION
著者Pidugu, L.S, Toth, E.A.
登録日2016-10-07
公開日2017-04-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structures of human 3-hydroxyanthranilate 3,4-dioxygenase with native and non-native metals bound in the active site.
Acta Crystallogr D Struct Biol, 73, 2017
4C1S
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BU of 4c1s by Molmil
Glycoside hydrolase family 76 (mannosidase) Bt3792 from Bacteroides thetaiotaomicron VPI-5482
分子名称: 1,2-ETHANEDIOL, GLYCEROL, GLYCOSIDE HYDROLASE FAMILY 76 MANNOSIDASE
著者Cuskin, F, Lowe, E.C, Zhu, Y, Temple, M, Thompson, A.J, Cartmell, A, Piens, K, Bracke, D, Vervecken, W, Munoz-Munoz, J.L, Suits, M.D.L, Boraston, A.B, Williams, S.J, Davies, G.J, Abbott, W.D, Martens, E.C, Gilbert, H.J.
登録日2013-08-13
公開日2013-11-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Human Gut Bacteroidetes Can Utilize Yeast Mannan Through a Selfish Mechanism.
Nature, 517, 2015
3FA2
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BU of 3fa2 by Molmil
Crystal Structure of the BRCA1 Associated Ring Domain (BARD1) Tandem BRCT Domains
分子名称: BRCA1-associated RING domain protein 1, GLYCEROL, PHOSPHATE ION
著者Fox III, D, Le Trong, I, Stenkamp, R.E, Klevit, R.E.
登録日2008-11-14
公開日2008-12-23
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 of the BRCA1 Associated Ring Domain (BARD1) Tandem BRCT Domains
TO BE PUBLISHED
5TLO
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BU of 5tlo by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with a Squaric Acid-linked Dimeric Estrogen
分子名称: (14beta,17alpha)-21-(4-aminophenyl)-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol, Estrogen receptor, NUCLEAR RECEPTOR COACTIVATOR 2
著者Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-10-11
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TH9
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BU of 5th9 by Molmil
Structure determination of a potent, selective antibody inhibitor of human MMP9 (GS-5745 bound to MMP-9)
分子名称: CALCIUM ION, COBALT HEXAMMINE(III), GS-5745 Fab heavy chain, ...
著者Appleby, T.C, Greenstein, A.E, Kwon, H.J.
登録日2016-09-29
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.999 Å)
主引用文献Biochemical characterization and structure determination of a potent, selective antibody inhibitor of human MMP9.
J. Biol. Chem., 292, 2017
1T79
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BU of 1t79 by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with a FxxLW motif
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, FxxLW motif peptide
著者Hur, E, Pfaff, S.J, Payne, E.S, Gron, H, Buehrer, B.M, Fletterick, R.J.
登録日2004-05-08
公開日2004-08-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Recognition and accommodation at the androgen receptor coactivator binding interface.
Plos Biol., 2, 2004
1OAG
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BU of 1oag by Molmil
Ascorbate peroxidase from soybean cytosol
分子名称: ASCORBATE PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Sharp, K.H, Raven, E.L, Moody, P.C.E.
登録日2003-01-13
公開日2003-03-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of the Ascorbate Peroxidase-Ascorbate Complex
Nat.Struct.Biol., 10, 2003
5FIJ
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BU of 5fij by Molmil
Bovine mitochondrial ATP synthase state 2c
分子名称: ATP SYNTHASE F(0) COMPLEX SUBUNIT B1, MITOCHONDRIAL, ATP SYNTHASE F(0) COMPLEX SUBUNIT C1, ...
著者Zhou, A, Rohou, A, Schep, D.G, Bason, J.V, Montgomery, M.G, Walker, J.E, Grigorieff, N, Rubinstein, J.L.
登録日2015-09-28
公開日2015-10-14
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (7.4 Å)
主引用文献Structure and conformational states of the bovine mitochondrial ATP synthase by cryo-EM.
Elife, 4, 2015
5TLD
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BU of 5tld by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the phenylamino-substituted estrogen, (8R,9S,13S,14S,17S)-13-methyl-17-(phenylamino)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol
分子名称: (8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-phenylazanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol, Estrogen receptor, NUCLEAR RECEPTOR COACTIVATOR 2
著者Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-10-11
公開日2017-01-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.375 Å)
主引用文献Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
1ODK
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BU of 1odk by Molmil
PURINE NUCLEOSIDE PHOSPHORYLASE FROM THERMUS THERMOPHILUS
分子名称: GLYCEROL, PURINE NUCLEOSIDE PHOSPHORYLASE
著者Tahirov, T.H, Inagaki, E, Miyano, M.
登録日2003-02-19
公開日2003-02-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Purine Nucleoside Phosphorylase from Thermus Thermophilus
J.Mol.Biol., 337, 2004
5FS0
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BU of 5fs0 by Molmil
crystal structure of the phenol-responsive sensory domain of the transcription activator PoxR with 2,4-dichlorophenol
分子名称: 2,4-dichlorophenol, Positive phenol-degradative gene regulator, ZINC ION
著者Patil, V.V, Woo, E.J.
登録日2015-12-23
公開日2016-03-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Analysis of the Phenol-Responsive Sensory Domain of the Transcription Activator Poxr
Structure, 624, 2016
5YMR
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BU of 5ymr by Molmil
The Crystal Structure of IseG
分子名称: 2-hydroxyethylsulfonic acid, Formate acetyltransferase, GLYCEROL
著者Lin, L, Zhang, J, Xing, M, Hua, G, Guo, C, Hu, Y, Wei, Y, Ang, E, Zhao, H, Zhang, Y, Yuchi, Z.
登録日2017-10-22
公開日2019-03-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Radical-mediated C-S bond cleavage in C2 sulfonate degradation by anaerobic bacteria.
Nat Commun, 10, 2019
2OJ6
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BU of 2oj6 by Molmil
Crystal Structure of Reovirus T3D Attachment Protein Sigma1 head domain D345N mutant
分子名称: MAGNESIUM ION, Viral attachment protein sigma 1
著者Stehle, T, Kirchner, E, Dermody, T.S.
登録日2007-01-12
公開日2007-02-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The Reovirus Sigma1 Aspartic Acid Sandwich: A TRIMERIZATION MOTIF POISED FOR CONFORMATIONAL CHANGE.
J.Biol.Chem., 282, 2007
5MI6
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BU of 5mi6 by Molmil
BtGH84 mutant with covalent modification by MA3 in complex with Thiamet G
分子名称: (3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Darby, J.F, Davies, G.J, Hubbard, R.E.
登録日2016-11-27
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Increase of enzyme activity through specific covalent modification with fragments.
Chem Sci, 8, 2017
3JWO
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BU of 3jwo by Molmil
Structure of HIV-1 gp120 with gp41-Interactive Region: Layered Architecture and Basis of Conformational Mobility
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB 48D Heavy CHAIN, FAB 48D LIGHT CHAIN, ...
著者Pancera, M, Majeed, S, Huang, C.C, Kwon, Y.D, Zhou, T, Robinson, J.E, Sodroski, J, Wyatt, R, Kwong, P.D.
登録日2009-09-18
公開日2009-12-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.51 Å)
主引用文献Structure of HIV-1 gp120 with gp41-interactive region reveals layered envelope architecture and basis of conformational mobility.
Proc.Natl.Acad.Sci.USA, 107, 2010
3ZET
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BU of 3zet by Molmil
Structure of a Salmonella typhimurium YgjD-YeaZ heterodimer.
分子名称: ADENOSINE MONOPHOSPHATE, CADMIUM ION, PROBABLE TRNA THREONYLCARBAMOYLADENOSINE BIOSYNTHESIS PROTEIN GCP, ...
著者Nichols, C.E, Lamb, H.K, Thompson, P, El Omari, K, Lockyer, M, Charles, I, Hawkins, A.R, Stammers, D.K.
登録日2012-12-07
公開日2013-03-20
最終更新日2013-05-08
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Crystal Structure of the Dimer of Two Essential Salmonella Typhimurium Proteins, Ygjd & Yeaz and Calorimetric Evidence for the Formation of a Ternary Ygjd-Yeaz-Yjee Complex.
Protein Sci., 22, 2013
5MSK
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BU of 5msk by Molmil
Mouse PA28beta
分子名称: Proteasome activator complex subunit 2
著者Huber, E.M, Groll, M.
登録日2017-01-05
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献The Mammalian Proteasome Activator PA28 Forms an Asymmetric alpha 4 beta 3 Complex.
Structure, 25, 2017
4ITY
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BU of 4ity by Molmil
Crystal structure of Leishmania mexicana arginase
分子名称: Arginase, GLYCEROL, MANGANESE (II) ION
著者D'Antonio, E.L, Ullman, B, Roberts, S.C, Gaur Dixit, U, Wilson, M.E, Hai, Y, Christianson, D.W.
登録日2013-01-19
公開日2013-01-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of arginase from Leishmania mexicana and implications for the inhibition of polyamine biosynthesis in parasitic infections.
Arch.Biochem.Biophys., 535, 2013
2NXM
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BU of 2nxm by Molmil
Structure of HIV-1 protease D25N complexed with the rt-rh analogue peptide GLY-ALA-GLN-THR-PHE*TYR-VAL-ASP-GLY-ALA
分子名称: Analogue of RT-RH pol protease substrate peptide, PROTEASE RETROPEPSIN
著者Prabu-Jeyabalan, M, Nalivaika, E, Schiffer, C.A.
登録日2006-11-17
公開日2007-09-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Computational design and experimental study of tighter binding peptides to an inactivated mutant of HIV-1 protease
Proteins, 70, 2007

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