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4PPR
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BU of 4ppr by Molmil
Crystal structure of Mycobacterium tuberculosis D,D-peptidase Rv3330 in complex with meropenem
分子名称: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Penicillin-binding protein DacB1
著者Prigozhin, D.M, Huizar, J.P, Mavrici, D, Alber, T, TB Structural Genomics Consortium (TBSGC)
登録日2014-02-27
公開日2014-11-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Subfamily-specific adaptations in the structures of two penicillin-binding proteins from Mycobacterium tuberculosis.
Plos One, 9, 2014
2CQN
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BU of 2cqn by Molmil
Solution structure of the FF domain of human Formin-binding protein 3
分子名称: Formin-binding protein 3
著者Suzuki, S, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-05-20
公開日2005-11-20
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the FF domain of human Formin-binding protein 3
To be Published
6Y3J
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BU of 6y3j by Molmil
RING-DTC domains of Deltex 2, bound to ADP-ribose
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Probable E3 ubiquitin-protein ligase DTX2, ZINC ION
著者Gabrielssen, M, Buetow, L, Huang, D.T.
登録日2020-02-18
公開日2020-09-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献DELTEX2 C-terminal domain recognizes and recruits ADP-ribosylated proteins for ubiquitination.
Sci Adv, 6, 2020
8ACS
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BU of 8acs by Molmil
Crystal structure of FMO from Janthinobacterium svalbardensis
分子名称: DI(HYDROXYETHYL)ETHER, FAD-dependent oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Polidori, N, Galuska, P, Gruber, K.
登録日2022-07-06
公開日2022-09-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A Cold-Active Flavin-Dependent Monooxygenase from Janthinobacterium svalbardensis Unlocks Applications of Baeyer-Villiger Monooxygenases at Low Temperature.
Acs Catalysis, 13, 2023
4P6E
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BU of 4p6e by Molmil
Crystal Structure of Human Cathepsin S Bound to a Non-covalent Inhibitor
分子名称: Cathepsin S, N-[(8R)-8-(benzoylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-methylpiperazine-1-carboxamide, SULFATE ION
著者Wang, Y, Jadhav, P.K, Deng, G.G.
登録日2014-03-24
公開日2014-10-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Cathepsin S Inhibitor LY3000328 for the Treatment of Abdominal Aortic Aneurysm.
Acs Med.Chem.Lett., 5, 2014
4P6L
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BU of 4p6l by Molmil
Crystal Structure of the Computationally Designed Transmembrane Metallotransporter in Octyl Glucoside
分子名称: Computationally Designed Transporter of Zn(II) and proton
著者Joh, N.H, Acharya, R, DeGrado, W.F.
登録日2014-03-25
公開日2014-12-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.803 Å)
主引用文献De novo design of a transmembrane Zn2+-transporting four-helix bundle.
Science, 346, 2014
8AHU
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BU of 8ahu by Molmil
Crystal structure of D-amino acid aminotrensferase from Haliscomenobacter hydrossis complexed with D-cycloserine
分子名称: Aminotransferase class IV, GLYCEROL, [5-hydroxy-6-methyl-4-({[(4E)-3-oxo-1,2-oxazolidin-4-ylidene]amino}methyl)pyridin-3-yl]methyl dihydrogen phosphate
著者Matyuta, I.O, Boyko, K.M, Nikolaeva, A.Y, Bakunova, A.K, Popov, V.O, Bezsudnova, E.Y.
登録日2022-07-22
公開日2022-08-31
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Mechanism of D-Cycloserine Inhibition of D-Amino Acid Transaminase from Haliscomenobacter hydrossis.
Biochemistry Mosc., 88, 2023
3Q90
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BU of 3q90 by Molmil
Crystal structure of the NTF2 domain of Ras GTPase-activating protein-binding protein 1
分子名称: Ras GTPase-activating protein-binding protein 1
著者Welin, M, Tresaugues, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Ekblad, T, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, Van Der Berg, S, Wahlberg, E, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2011-01-07
公開日2011-02-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of the NTF2 domain of Ras GTPase-activating protein-binding protein 1
To be Published
2M7Q
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BU of 2m7q by Molmil
Solution structure of TAX1BP1 UBZ1+2
分子名称: Tax1-binding protein 1, ZINC ION
著者Ceregido, M.A, Spinola Amilibia, M, Buts, L, Bravo, J, van Nuland, N.A.J.
登録日2013-04-29
公開日2013-12-04
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The structure of TAX1BP1 UBZ1+2 provides insight into target specificity and adaptability.
J.Mol.Biol., 426, 2014
6YDM
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BU of 6ydm by Molmil
beta-phosphoglucomutase from Lactococcus lactis with citrate, tris and acetate bound
分子名称: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Wood, H.P, Cruz-Navarrete, F.A, Baxter, N.J, Trevitt, C.R, Robertson, A.J, Dix, S.R, Hounslow, A.M, Cliff, M.J, Waltho, J.P.
登録日2020-03-20
公開日2020-10-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Allomorphy as a mechanism of post-translational control of enzyme activity.
Nat Commun, 11, 2020
8AH2
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BU of 8ah2 by Molmil
Crystal structure of human 14-3-3 zeta fused to the NPM1 peptide including phosphoserine-48
分子名称: 14-3-3 protein zeta/delta,Nucleophosmin
著者Boyko, K.M, Kapitonova, A.A, Tugaeva, K.V, Varfolomeeva, L.A, Sluchanko, N.N.
登録日2022-07-20
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for the recognition by 14-3-3 proteins of a conditional binding site within the oligomerization domain of human nucleophosmin.
Biochem.Biophys.Res.Commun., 627, 2022
5ZHV
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BU of 5zhv by Molmil
Crystal structure of the PadR-family transcriptional regulator Rv3488 of Mycobacterium tuberculosis H37Rv in complex with zinc ion
分子名称: Transcriptional regulator, ZINC ION
著者Meera, K, Pal, R.K, Arora, A, Biswal, B.K.
登録日2018-03-13
公開日2018-10-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and functional characterization of the transcriptional regulator Rv3488 ofMycobacterium tuberculosisH37Rv.
Biochem. J., 475, 2018
2LX9
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BU of 2lx9 by Molmil
Solution Structure of Escherichia coli Ferrous Iron transport protein A (FeoA)
分子名称: Ferrous iron transport protein A
著者Lau, C.K.Y, Ishida, H, Liu, Z, Vogel, H.J.
登録日2012-08-16
公開日2012-11-14
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution Structure of Escherichia coli FeoA and Its Potential Role in Bacterial Ferrous Iron Transport.
J.Bacteriol., 195, 2013
6YEZ
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BU of 6yez by Molmil
Plant PSI-ferredoxin-plastocyanin supercomplex
分子名称: (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
著者Caspy, I, Nelson, N, Shkolnisky, Y, Klaiman, D, Sheinker, A.
登録日2020-03-25
公開日2020-09-30
最終更新日2021-07-07
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献The structure of a triple complex of plant photosystem I with ferredoxin and plastocyanin.
Nat.Plants, 6, 2020
6YDL
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BU of 6ydl by Molmil
Substrate-free beta-phosphoglucomutase from Lactococcus lactis
分子名称: Beta-phosphoglucomutase, MAGNESIUM ION
著者Wood, H.P, Cruz-Navarrete, F.A, Baxter, N.J, Trevitt, C.R, Robertson, A.J, Dix, S.R, Hounslow, A.M, Cliff, M.J, Waltho, J.P.
登録日2020-03-20
公開日2020-10-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Allomorphy as a mechanism of post-translational control of enzyme activity.
Nat Commun, 11, 2020
2CWO
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BU of 2cwo by Molmil
Crystal structure of RNA silencing suppressor p21 from Beet Yellows Virus
分子名称: RNA silencing suppressor
著者Ye, K, Patel, D.J.
登録日2005-06-22
公開日2005-10-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献RNA Silencing Suppressor p21 of Beet Yellows Virus Forms an RNA Binding Octameric Ring Structure
STRUCTURE, 13, 2005
1WIQ
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BU of 1wiq by Molmil
STRUCTURE OF T-CELL SURFACE GLYCOPROTEIN CD4, TRIGONAL CRYSTAL FORM
分子名称: T-CELL SURFACE GLYCOPROTEIN CD4
著者Wu, H, Kwong, P.D, Hendrickson, W.A.
登録日1996-12-18
公開日1997-07-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (5 Å)
主引用文献Dimeric association and segmental variability in the structure of human CD4.
Nature, 387, 1997
3QFU
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BU of 3qfu by Molmil
Crystal structure of Yeast Hsp70 (Bip/kar2) complexed with ADP
分子名称: 78 kDa glucose-regulated protein homolog, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Yan, M, Li, J.Z, Sha, B.D.
登録日2011-01-22
公開日2011-06-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural analysis of the Sil1-Bip complex reveals the mechanism for Sil1 to function as a nucleotide-exchange factor.
Biochem.J., 438, 2011
3I64
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BU of 3i64 by Molmil
Crystal structure of an O-methyltransferase (NcsB1) from neocarzinostatin biosynthesis in complex with S-adenosyl-L-homocysteine (SAH) and 1,4-dihydroxy-2-naphthoic acid (DHN)
分子名称: 1,4-dihydroxy-2-naphthoic acid, GLYCEROL, O-methyltransferase, ...
著者Cooke, H.A, Bruner, S.D.
登録日2009-07-06
公開日2009-09-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Molecular basis of substrate promiscuity for the SAM-dependent O-methyltransferase NcsB1, involved in the biosynthesis of the enediyne antitumor antibiotic neocarzinostatin.
Biochemistry, 48, 2009
3I53
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BU of 3i53 by Molmil
Crystal structure of an O-methyltransferase (NcsB1) from neocarzinostatin biosynthesis in complex with S-adenosyl-L-homocysteine (SAH)
分子名称: GLYCEROL, O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Cooke, H.A, Bruner, S.D.
登録日2009-07-03
公開日2009-09-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Molecular basis of substrate promiscuity for the SAM-dependent O-methyltransferase NcsB1, involved in the biosynthesis of the enediyne antitumor antibiotic neocarzinostatin.
Biochemistry, 48, 2009
6YLU
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BU of 6ylu by Molmil
14-3-3sigma in complex with BLNKpT152 phosphopeptide crystal structure
分子名称: 14-3-3 protein sigma, BLNKpT152, MAGNESIUM ION
著者Soini, L, Leysen, S, Davis, J, Ottmann, C.
登録日2020-04-07
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献14-3-3sigma in complex with BLNKpT152 phosphopeptide crystal structure
J.Struct.Biol., 2020
4DHM
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BU of 4dhm by Molmil
Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening
分子名称: 14-3-3 protein sigma, CHLORIDE ION, GLYCEROL, ...
著者Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C.
登録日2012-01-30
公開日2013-07-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
4PTC
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BU of 4ptc by Molmil
Structure of a carboxamide compound (3) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-OXO-4H-1LAMBDA~4~,3-THIAZOLE-5-CARBOXAMIDE) to GSK3b
分子名称: 2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide, Glycogen synthase kinase-3 beta
著者Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M.
登録日2014-03-10
公開日2015-04-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.711 Å)
主引用文献Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core.
Bioorg.Med.Chem.Lett., 25, 2015
4DHT
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BU of 4dht by Molmil
Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening
分子名称: 14-3-3 PROTEIN SIGMA, CHLORIDE ION, GLYCEROL, ...
著者Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C.
登録日2012-01-30
公開日2013-07-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
3QFD
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Human Class I MHC HLA-A2 in complex with Mart-1(27-35) nonameric peptide
分子名称: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
著者Borbulevych, O.Y, Baker, B.M.
登録日2011-01-21
公開日2011-09-28
最終更新日2011-12-14
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Loss of T Cell Antigen Recognition Arising from Changes in Peptide and Major Histocompatibility Complex Protein Flexibility: IMPLICATIONS FOR VACCINE DESIGN.
J.Biol.Chem., 286, 2011

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