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4MZT
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MazF from S. aureus crystal form II, C2221, 2.3 A
分子名称: MazF mRNA interferase
著者Zorzini, V, Loris, R, van Nuland, N.A.J, Cheung, A.
登録日2013-09-30
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Structural and biophysical characterization of Staphylococcus aureus SaMazF shows conservation of functional dynamics.
Nucleic Acids Res., 42, 2014
6TML
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BU of 6tml by Molmil
Cryo-EM structure of Toxoplasma gondii mitochondrial ATP synthase hexamer, composite model
分子名称: ATP synthase subunit alpha, ATP synthase subunit beta, ATP synthase subunit delta, ...
著者Muhleip, A, Kock Flygaard, R, Amunts, A.
登録日2019-12-04
公開日2020-12-16
最終更新日2021-01-20
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献ATP synthase hexamer assemblies shape cristae of Toxoplasma mitochondria.
Nat Commun, 12, 2021
2VRR
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BU of 2vrr by Molmil
Structure of SUMO modified Ubc9
分子名称: FORMIC ACID, SMALL UBIQUITIN-RELATED MODIFIER 1, SODIUM ION, ...
著者Knipscheer, P, Flotho, A, Klug, H, Olsen, J.V, van Dijk, W.J, Fish, A, Johnson, E.S, Mann, M, Sixma, T.K, Pichler, A.
登録日2008-04-13
公開日2008-08-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Ubc9 sumoylation regulates SUMO target discrimination.
Mol. Cell, 31, 2008
1KTR
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BU of 1ktr by Molmil
Crystal Structure of the Anti-His Tag Antibody 3D5 Single-Chain Fragment (scFv) in Complex with a Oligohistidine peptide
分子名称: Anti-his tag antibody 3d5 variable light chain, Peptide linker, Anti-his tag antibody 3d5 variable heavy chain, ...
著者Kaufmann, M, Lindner, P, Honegger, A, Blank, K, Tschopp, M, Capitani, G, Plueckthun, A, Gruetter, M.G.
登録日2002-01-17
公開日2002-05-15
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the anti-His tag antibody 3D5 single-chain fragment complexed to its antigen.
J.Mol.Biol., 318, 2002
2I17
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Human aldose reductase in complex with NADP+ and the inhibitor IDD594 at temperature of 60K
分子名称: Aldose reductase, CITRIC ACID, IDD594, ...
著者Petrova, T, Ginell, S, Mitshler, A, Hasemann, I, Schneider, T, Cousido, A, Lunin, V.Y, Joachimiak, A, Podjarny, A.
登録日2006-08-13
公開日2006-08-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.81 Å)
主引用文献Ultrahigh-resolution study of protein atomic displacement parameters at cryotemperatures obtained with a helium cryostat.
Acta Crystallogr.,Sect.D, 62, 2006
3ZF2
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BU of 3zf2 by Molmil
Phage dUTPases control transfer of virulence genes by a proto- oncogenic G protein-like mechanism. (Staphylococcus bacteriophage 80alpha dUTPase).
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DUTPASE, NICKEL (II) ION
著者Tormo-Mas, M.A, Donderis, J, Garcia-Caballer, M, Alt, A, Mir-Sanchis, I, Marina, A, Penades, J.R.
登録日2012-12-10
公開日2013-01-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Phage Dutpases Control Transfer of Virulence Genes by a Proto-Oncogenic G Protein-Like Mechanism.
Mol.Cell, 49, 2013
1N47
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Isolectin B4 from Vicia villosa in complex with the Tn antigen
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, CALCIUM ION, Isolectin B4, ...
著者Babino, A, Tello, D, Rojas, A, Bay, S, Osinaga, E, Alzari, P.M.
登録日2002-10-30
公開日2003-02-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The crystal structure of a plant lectin in complex with the Tn antigen
FEBS Lett., 536, 2003
3ZLQ
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BACE2 XAPERONE COMPLEX
分子名称: 5-Ethoxy-pyridine-2-carboxylic acid [3-((R)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide, BETA-SECRETASE 2, XA4813
著者Kuglstatter, A, Stihle, M.
登録日2013-02-04
公開日2013-05-01
最終更新日2013-06-05
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Beta-Secretase (Bace1) Inhibitors with High in Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer'S Disease.
J.Med.Chem., 56, 2013
1B3X
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BU of 1b3x by Molmil
XYLANASE FROM PENICILLIUM SIMPLICISSIMUM, COMPLEX WITH XYLOTRIOSE
分子名称: PROTEIN (XYLANASE), beta-D-xylopyranose, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者Schmidt, A, Kratky, C.
登録日1998-12-15
公開日1999-04-07
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Xylan binding subsite mapping in the xylanase from Penicillium simplicissimum using xylooligosaccharides as cryo-protectant.
Biochemistry, 38, 1999
1QK9
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BU of 1qk9 by Molmil
The solution structure of the domain from MeCP2 that binds to methylated DNA
分子名称: METHYL-CPG-BINDING PROTEIN 2
著者Wakefield, R.I.D, Smith, B.O, Nan, X, Free, A, Soteriou, A, Uhrin, D, Bird, A.P, Barlow, P.N.
登録日1999-07-12
公開日1999-10-08
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The Solution Structure of the Domain from Mecp2 that Binds to Methylated DNA
J.Mol.Biol., 291, 1999
2X7F
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Crystal structure of the kinase domain of human Traf2- and Nck- interacting Kinase with Wee1Chk1 inhibitor
分子名称: 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, SODIUM ION, TRAF2 AND NCK-INTERACTING PROTEIN KINASE
著者Vollmar, M, Alfano, I, Shrestha, B, Bray, J, Muniz, J.R.C, Roos, A, Filippakopoulos, P, Burgess-Brown, N, Ugochukwu, E, Gileadi, O, Phillips, C, Mahajan, P, Pike, A.C.W, Fedorov, O, Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S.
登録日2010-02-26
公開日2010-07-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of the Kinase Domain of Human Traf2- and Nck-Interacting Kinase with Wee1Chk1 Inhibitor
To be Published
4N1T
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BU of 4n1t by Molmil
Structure of human MTH1 in complex with TH287
分子名称: 6-(2,3-dichlorophenyl)-N~4~-methylpyrimidine-2,4-diamine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Berntsson, R.P.-A, Jemth, A, Gustafsson, R, Svensson, L.M, Helleday, T, Stenmark, P.
登録日2013-10-04
公開日2014-04-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献MTH1 inhibition eradicates cancer by preventing sanitation of the dNTP pool.
Nature, 508, 2014
3UQO
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BU of 3uqo by Molmil
Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor
分子名称: 3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide, CALCIUM ION, Cationic trypsin
著者Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T.
登録日2011-11-21
公開日2012-11-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
2K8E
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BU of 2k8e by Molmil
Solution NMR Structure of protein of unknown function yegP from E. coli. Ontario Center for Structural Proteomics target EC0640_1_123 Northeast Structural Genomics Consortium Target ET102.
分子名称: UPF0339 protein yegP
著者Fares, C, Lemak, A, Gutmanas, A, Karra, M, Yee, A.H, Semesi, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Ontario Centre for Structural Proteomics (OCSP)
登録日2008-09-08
公開日2008-10-14
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Solution structure of protein yegP from Escherichia Coli.
To be Published
2VGI
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BU of 2vgi by Molmil
HUMAN ERYTHROCYTE PYRUVATE KINASE: R486W MUTANT
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 2-PHOSPHOGLYCOLIC ACID, MANGANESE (II) ION, ...
著者Valentini, G, Chiarelli, L, Fortin, R, Dolzan, M, Galizzi, A, Abraham, D.J, Wang, C, Bianchi, P, Zanella, A, Mattevi, A.
登録日2007-11-13
公開日2007-11-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Structure and Function of Human Erythrocyte Pyruvate Kinase. Molecular Basis of Nonspherocytic Hemolytic Anemia.
J.Biol.Chem., 277, 2002
2VIY
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BU of 2viy by Molmil
Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(pentylsulfonyl)benzamide
分子名称: BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(pentylsulfonyl)benzamide
著者Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G.
登録日2007-12-06
公開日2008-01-29
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Bace-1 Inhibitors Part 1: Identification of Novel Hydroxy Ethylamines (Heas).
Bioorg.Med.Chem.Lett., 18, 2008
4J9E
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BU of 4j9e by Molmil
Crystal structure of the N114A mutant of the Abl-SH3 domain complexed with the high affinity peptide P17
分子名称: P17, SULFATE ION, Tyrosine-protein kinase ABL1
著者Camara-Artigas, A.
登録日2013-02-16
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of the N114A mutant of the Abl-SH3 domain complexed with the high affinity peptide P17
To be Published
1CQY
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BU of 1cqy by Molmil
STARCH BINDING DOMAIN OF BACILLUS CEREUS BETA-AMYLASE
分子名称: BETA-AMYLASE
著者Yoon, H.J, Hirata, A, Adachi, M, Sekine, A, Utsumi, S, Mikami, B.
登録日1999-08-12
公開日1999-08-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure of Separated Starch-Binding Domain of Bacillus cereus B-amylase
To be Published
3TLH
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BU of 3tlh by Molmil
STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITHAN EFFICIENT INHIBITOR OF FIV PR
分子名称: PROTEIN (PROTEASE), benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
著者Li, M, Lee, T, Morris, G, Laco, G, Wong, C, Olson, A, Elder, J, Wlodawer, A, Gustchina, A.
登録日1998-12-03
公開日1998-12-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease
Proteins, 38, 2000
4RVY
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BU of 4rvy by Molmil
Serial Time resolved crystallography of Photosystem II using a femtosecond X-ray laser. The S state after two flashes (S3)
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Kupitz, C, Basu, S, Grotjohann, I, Fromme, R, Zatsepin, N, Rendek, K.N, Hunter, M, Shoeman, R.L, White, T.A, Wang, D, James, D, Yang, J.-H, Cobb, D.E, Reeder, B, Sierra, R.G, Liu, H, Barty, A, Aquila, A, Deponte, D, Kirian, R, Bari, S, Bergkamp, J.J, Beyerlein, K, Bogan, M.J, Caleman, C, Chao, T.-C, Conrad, C.E, Davis, K.M, Fleckenstein, H, Galli, L, Hau-Riege, S.P, Kassemeyer, S, Laksmono, H, Liang, M, Lomb, L, Marchesini, S, Martin, A.V, Messerschmidt, M, Milathianaki, D, Nass, K, Ros, A, Roy-Chowdhury, S, Schmidt, K, Seibert, M, Steinbrener, J, Stellato, F, Yan, L, Yoon, C, Moore, T.A, Moore, A.L, Pushkar, Y, Williams, G.J, Boutet, S, Doak, R.B, Weierstall, U, Frank, M, Chapman, H.N, Spence, J.C.H, Fromme, P.
登録日2014-11-29
公開日2015-11-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (5.5 Å)
主引用文献Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser.
Nature, 513, 2014
1D5Q
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SOLUTION STRUCTURE OF A MINI-PROTEIN REPRODUCING THE CORE OF THE CD4 SURFACE INTERACTING WITH THE HIV-1 ENVELOPE GLYCOPROTEIN
分子名称: CHIMERIC MINI-PROTEIN
著者Vita, C, Drakopoulou, E, Vizzanova, J, Rochette, S, Martin, L, Menez, A, Roumestand, C, Yang, Y.S, Ylisastigui, L, Benjouad, A, Gluckman, J.C.
登録日1999-10-11
公開日2000-10-11
最終更新日2022-02-16
実験手法SOLUTION NMR
主引用文献Rational engineering of a miniprotein that reproduces the core of the CD4 site interacting with HIV-1 envelope glycoprotein.
Proc.Natl.Acad.Sci.USA, 96, 1999
4APN
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Structure of TR from Leishmania infantum in complex with a diarylpirrole-based inhibitor
分子名称: 4-[[1-(4-ethylphenyl)-2-methyl-5-(4-methylsulfanylphenyl)pyrrol-3-yl]methyl]thiomorpholine, FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Baiocco, P, Ilari, A, Colotti, G, Biava, M.
登録日2012-04-04
公開日2013-04-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Inhibition of Leishmania Infantum Trypanothione Reductase by Azole-Based Compounds: A Comparative Analysis with its Physiological Substrate by X-Ray Crystallography.
Chemmedchem, 8, 2013
4NFA
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Structure of the C-terminal doamin of Knl1
分子名称: CHLORIDE ION, GLYCEROL, Protein CASC5
著者Petrovic, A, Mosalaganti, S, Keller, J, Mattiuzzo, M, Overlack, K, Wohlgemuth, S, Pasqualato, S, Raunser, S, Musacchio, A.
登録日2013-10-31
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.497 Å)
主引用文献Modular Assembly of RWD Domains on the Mis12 Complex Underlies Outer Kinetochore Organization.
Mol.Cell, 53, 2014
1QGI
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CHITOSANASE FROM BACILLUS CIRCULANS
分子名称: 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (CHITOSANASE), SULFATE ION
著者Saito, J, Kita, A, Higuchi, Y, Nagata, Y, Ando, A, Miki, K.
登録日1999-04-28
公開日1999-10-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of chitosanase from Bacillus circulans MH-K1 at 1.6-A resolution and its substrate recognition mechanism.
J.Biol.Chem., 274, 1999
7KLJ
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Crystal structure of the WD-repeat domain of human KIF21A
分子名称: 1,2-ETHANEDIOL, Isoform 2 of Kinesin-like protein KIF21A, UNKNOWN ATOM OR ION
著者Zeng, H, Dong, A, Loppnau, P, Hutchinson, A, Seitova, A, Edwards, A.M, Arrowsmith, C.H, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2020-10-30
公開日2020-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Crystal structure of the WD-repeat domain of human KIF21A
To be Published

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