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5HU0
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BACE1 in complex with 4-(3-(furan-2-carboxamido)phenyl)-1-methyl-5-oxo-4-phenylimidazolidin-2-iminium
分子名称: Beta-secretase 1, L(+)-TARTARIC ACID, N-{3-[(2E,4R)-2-imino-1-methyl-5-oxo-4-phenylimidazolidin-4-yl]phenyl}furan-2-carboxamide
著者Orth, P.
登録日2016-01-27
公開日2016-11-09
最終更新日2017-01-04
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Discovery of the 3-Imino-1,2,4-thiadiazinane 1,1-Dioxide Derivative Verubecestat (MK-8931)-A beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor for the Treatment of Alzheimer's Disease.
J. Med. Chem., 59, 2016
5HXO
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Crystal Structure of Z,Z-Farnesyl Diphosphate Synthase with D71M, E75A and H103Y Mutants
分子名称: (2Z,6Z)-farnesyl diphosphate synthase, chloroplastic
著者Lee, C.C, Chan, Y.T, Wang, A.H.J.
登録日2016-01-31
公開日2017-04-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal Structure and Potential Head-to-Middle Condensation Function of aZ,Z-Farnesyl Diphosphate Synthase.
Acs Omega, 2, 2017
1ON6
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Crystal structure of mouse alpha-1,4-N-acetylhexosaminotransferase (EXTL2) in complex with UDPGlcNAc
分子名称: 1,2-ETHANEDIOL, Alpha-1,4-N-acetylhexosaminyltransferase EXTL2, MANGANESE (II) ION, ...
著者Pedersen, L.C, Dong, J, Taniguchi, F, Kitagawa, H, Krahn, J.M, Pedersen, L.G, Sugahara, K, Negishi, M.
登録日2003-02-27
公開日2003-04-22
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of an alpha-1,4-N-acetylhexosaminyltransferase (EXTL2), a member of the exostosin gene family involved in heparan sulfate biosynthesis
J.Biol.Chem., 278, 2003
5HCT
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BU of 5hct by Molmil
Endothiapepsin in complex with biacylhydrazone
分子名称: 1,2-ETHANEDIOL, 2-amino-N'-{3-[(E)-{2-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]hydrazinylidene}methyl]benzylidene}-3-(1H-indol-2-yl)propanehydrazide (non-preferred name), ACETATE ION, ...
著者Radeva, N, Heine, A, Klebe, G.
登録日2016-01-04
公開日2016-07-20
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Fragment Linking and Optimization of Inhibitors of the Aspartic Protease Endothiapepsin: Fragment-Based Drug Design Facilitated by Dynamic Combinatorial Chemistry.
Angew.Chem.Int.Ed.Engl., 55, 2016
5HHP
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BU of 5hhp by Molmil
Crystal Structure of HLA-A*0201 in complex with M1-G4E
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
著者Gras, S, Josephs, T.M, Rossjohn, J.
登録日2016-01-11
公開日2016-03-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular basis for universal HLA-A*0201-restricted CD8+ T-cell immunity against influenza viruses.
Proc.Natl.Acad.Sci.USA, 113, 2016
5HHQ
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Crystal Structure of HLA-A*0201 in complex with M1-L3W
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
著者Gras, S, Josephs, T.M, Rossjohn, J.
登録日2016-01-11
公開日2016-03-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular basis for universal HLA-A*0201-restricted CD8+ T-cell immunity against influenza viruses.
Proc.Natl.Acad.Sci.USA, 113, 2016
5HJR
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Murine endoplasmic reticulum alpha-glucosidase II with bound covalent intermediate
分子名称: 1,2-ETHANEDIOL, 5-fluoro-beta-D-glucopyranose, CALCIUM ION, ...
著者Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N.
登録日2016-01-13
公開日2016-07-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Proc.Natl.Acad.Sci.USA, 113, 2016
1IQZ
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OXIDIZED [4Fe-4S] FERREDOXIN FROM BACILLUS THERMOPROTEOLYTICUS (FORM I)
分子名称: Ferredoxin, IRON/SULFUR CLUSTER, SULFATE ION
著者Fukuyama, K, Okada, T, Kakuta, Y, Takahashi, Y.
登録日2001-08-30
公開日2002-02-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (0.92 Å)
主引用文献Atomic resolution structures of oxidized [4Fe-4S] ferredoxin from Bacillus thermoproteolyticus in two crystal forms: systematic distortion of [4Fe-4S] cluster in the protein.
J.Mol.Biol., 315, 2002
7ZJW
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BU of 7zjw by Molmil
Rabbit 80S ribosome as it decodes the Sec-UGA codon
分子名称: 18S rRNA, 28S rRNA, 40S Ribosomal protein eS19, ...
著者Hilal, T, Simonovic, M, Spahn, C.M.T.
登録日2022-04-12
公開日2022-10-19
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structure of the mammalian ribosome as it decodes the selenocysteine UGA codon.
Science, 376, 2022
5DRJ
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BU of 5drj by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a dichloro-substituted, 3-methyl 2,5-diarylthiophene-core ligand 4,4'-(3-methylthiene-2,5-diyl)bis(3-chlorophenol)
分子名称: 4,4'-(3-methylthiene-2,5-diyl)bis(3-chlorophenol), Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-09-15
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
4B2A
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BU of 4b2a by Molmil
Structure of the factor Xa-like trypsin variant triple-Ala (TGA) in complex with eglin C
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CATIONIC TRYPSIN, ...
著者Menzel, A, Neumann, P, Stubbs, M.T.
登録日2012-07-13
公開日2012-08-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Thermodynamic signatures in macromolecular interactions involving conformational flexibility.
Biol.Chem., 395, 2014
4B2C
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BU of 4b2c by Molmil
Structure of the factor Xa-like trypsin variant triple-Ala (TPA) in complex with eglin C
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CATIONIC TRYPSIN, ...
著者Menzel, A, Neumann, P, Stubbs, M.T.
登録日2012-07-13
公開日2012-08-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Thermodynamic signatures in macromolecular interactions involving conformational flexibility.
Biol.Chem., 395, 2014
3U3W
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BU of 3u3w by Molmil
Crystal Structure of Bacillus thuringiensis PlcR in complex with the peptide PapR7 and DNA
分子名称: 5'-D(P*AP*TP*AP*TP*GP*AP*AP*AP*TP*AP*TP*TP*GP*CP*AP*TP*AP*G)-3', 5'-D(P*CP*TP*AP*TP*GP*CP*AP*AP*TP*AP*TP*TP*TP*CP*AP*TP*AP*T)-3', C-terminus heptapeptide from PapR protein, ...
著者Grenha, R, Slamti, L, Bouillaut, L, Lereclus, D, Nessler, S.
登録日2011-10-06
公開日2013-01-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for the activation mechanism of the PlcR virulence regulator by the quorum-sensing signal peptide PapR.
Proc.Natl.Acad.Sci.USA, 110, 2013
1RFB
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BU of 1rfb by Molmil
CRYSTAL STRUCTURE OF RECOMBINANT BOVINE INTERFERON-GAMMA AT 3.0 ANGSTROMS RESOLUTION
分子名称: INTERFERON-GAMMA
著者Samudzi, C.T, Rubin, J.R.
登録日1993-06-30
公開日1994-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of recombinant bovine interferon-gamma at 3.0 A resolution.
Acta Crystallogr.,Sect.D, 49, 1993
3OJM
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Crystal Structure of FGF1 complexed with the ectodomain of FGFR2b harboring P253R Apert mutation
分子名称: Fibroblast growth factor receptor 2, Heparin-binding growth factor 1, SULFATE ION
著者Beenken, A, Mohammadi, M.
登録日2010-08-23
公開日2011-08-31
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Plasticity in Interactions of Fibroblast Growth Factor 1 (FGF1) N Terminus with FGF Receptors Underlies Promiscuity of FGF1.
J.Biol.Chem., 287, 2012
1IFG
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BU of 1ifg by Molmil
CRYSTAL STRUCTURE OF A MONOMERIC FORM OF GENERAL PROTEASE INHIBITOR, ECOTIN IN ABSENCE OF A PROTEASE
分子名称: ECOTIN
著者Eggers, C.T, Wang, S.X, Fletterick, R.J, Craik, C.S.
登録日2001-04-12
公開日2001-05-18
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The role of ecotin dimerization in protease inhibition.
J.Mol.Biol., 308, 2001
4IVS
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BU of 4ivs by Molmil
Crystal structure of BACE1 with its inhibitor
分子名称: Beta-secretase 1, N-{N-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(6-cyano-1H-indol-1-yl)acetamide
著者Chen, T.T, Li, L, Chen, W.Y, Xu, Y.C.
登録日2013-01-23
公開日2013-11-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.636 Å)
主引用文献Virtual screening and structure-based discovery of indole acylguanidines as potent beta-secretase (BACE1) inhibitors
Molecules, 18, 2013
1XDJ
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BU of 1xdj by Molmil
Crystal Structure of T. maritima Cobalamin-Independent Methionine Synthase complexed with Zn2+ and Homocysteine
分子名称: 2-AMINO-4-MERCAPTO-BUTYRIC ACID, 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase, MESO-ERYTHRITOL, ...
著者Pejchal, R, Ludwig, M.L.
登録日2004-09-06
公開日2005-03-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Cobalamin-independent methionine synthase (MetE): a face-to-face double barrel that evolved by gene duplication
Plos Biol., 3, 2005
1MI6
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BU of 1mi6 by Molmil
Docking of the modified RF2 X-ray structure into the Low Resolution Cryo-EM map of RF2 E.coli 70S Ribosome
分子名称: peptide chain release factor RF-2
著者Rawat, U.B.S, Zavialov, A.V, Sengupta, J, Valle, M, Grassucci, R.A, Linde, J, Vestergaard, B, Ehrenberg, M, Frank, J.
登録日2002-08-22
公開日2003-01-14
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (12.8 Å)
主引用文献A cryo-electron microscopic study of ribosome-bound termination factor RF2
Nature, 421, 2003
1MSA
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MANNOSE-SPECIFIC AGGLUTININ (LECTIN) FROM SNOWDROP (GALANTHUS NIVALIS) BULBS COMPLEXED WITH METHYL-ALPHA-D-MANNOSIDE
分子名称: AGGLUTININ, methyl alpha-D-mannopyranoside
著者Wright, C.S, Hester, G.
登録日1995-03-06
公開日1995-09-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structure of mannose-specific snowdrop (Galanthus nivalis) lectin is representative of a new plant lectin family.
Nat.Struct.Biol., 2, 1995
2QR0
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BU of 2qr0 by Molmil
Structure of VEGF complexed to a Fab containing TYR and SER in the CDRs
分子名称: Fab-Fragment Heavy Chain, Fab-Fragment Light Chain, Vascular endothelial growth factor A
著者Wiesmann, C.
登録日2007-07-27
公開日2007-08-14
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献High-throughput generation of synthetic antibodies from highly functional minimalist phage-displayed libraries
J.Mol.Biol., 373, 2007
4EMZ
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BU of 4emz by Molmil
HIV-1 Nef in complex with MHC-I cytoplasmic domain and Mu1 adaptin subunit of AP1 adaptor (second domain)
分子名称: AP-1 complex subunit mu-1, MHC-I, Protein Nef
著者Jia, X, Xiong, Y.
登録日2012-04-12
公開日2012-06-20
最終更新日2012-07-25
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis of evasion of cellular adaptive immunity by HIV-1 Nef.
Nat.Struct.Mol.Biol., 19, 2012
1UIP
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ADENOSINE DEAMINASE (HIS 238 GLU MUTANT)
分子名称: ADENOSINE DEAMINASE, PURINE RIBOSIDE, ZINC ION
著者Wilson, D.K, Quiocho, F.A.
登録日1996-08-30
公開日1997-06-24
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Site-directed mutagenesis of histidine 238 in mouse adenosine deaminase: substitution of histidine 238 does not impede hydroxylate formation.
Biochemistry, 35, 1996
1RNI
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Bifunctional DNA primase/polymerase domain of ORF904 from the archaeal plasmid pRN1
分子名称: ORF904, ZINC ION
著者Lipps, G, Weinzierl, A.O, von Scheven, G, Buchen, C, Cramer, P.
登録日2003-12-01
公開日2004-01-27
最終更新日2011-11-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of a bifunctional DNA primase-polymerase
Nat.Struct.Mol.Biol., 11, 2004
1IR0
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BU of 1ir0 by Molmil
OXIDIZED [4Fe-4S] FERREDOXIN FROM BACILLUS THERMOPROTEOLYTICUS (FORM II)
分子名称: Ferredoxin, IRON/SULFUR CLUSTER, SULFATE ION
著者Fukuyama, K, Okada, T, Kakuta, Y, Takahashi, Y.
登録日2001-08-30
公開日2002-02-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Atomic resolution structures of oxidized [4Fe-4S] ferredoxin from Bacillus thermoproteolyticus in two crystal forms: systematic distortion of [4Fe-4S] cluster in the protein.
J.Mol.Biol., 315, 2002

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