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2V0I
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BU of 2v0i by Molmil
Characterization of Substrate Binding and Catalysis of the Potential Antibacterial Target N-acetylglucosamine-1-phosphate Uridyltransferase (GlmU)
分子名称: BIFUNCTIONAL PROTEIN GLMU, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
著者Mochalkin, I, Lightle, S, Ohren, J.F, Chirgadze, N.Y.
登録日2007-05-14
公開日2008-01-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Characterization of Substrate Binding and Catalysis in the Potential Antibacterial Target N-Acetylglucosamine-1-Phosphate Uridyltransferase (Glmu).
Protein Sci., 16, 2007
2V5Q
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CRYSTAL STRUCTURE OF WILD-TYPE PLK-1 KINASE DOMAIN IN COMPLEX WITH A SELECTIVE DARPIN
分子名称: DESIGN ANKYRIN REPEAT PROTEIN, SERINE/THREONINE-PROTEIN KINASE PLK1
著者Bandeiras, T.M, Hillig, R.C, Matias, P.M, Eberspaecher, U, Fanghaenel, J, Thomaz, M, Miranda, S, Crusius, K, Puetter, V, Amstutz, P, Gulotti-Georgieva, M, Binz, H.K, Holz, C, Schmitz, A.A.P, Lang, C, Donner, P, Egner, U, Carrondo, M.A, Mueller-Tiemann, B.
登録日2007-07-08
公開日2008-04-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of wild-type Plk-1 kinase domain in complex with a selective DARPin.
Acta Crystallogr. D Biol. Crystallogr., 64, 2008
3D9G
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BU of 3d9g by Molmil
Nitroalkane oxidase: wild type crystallized in a trapped state forming a cyanoadduct with FAD
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Nitroalkane oxidase, ...
著者Heroux, A, Bozinovski, D.M, Valley, M.P, Fitzpatrick, P.F, Orville, A.M.
登録日2008-05-27
公開日2009-04-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structures of intermediates in the nitroalkane oxidase reaction.
Biochemistry, 48, 2009
2XZ3
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BU of 2xz3 by Molmil
BLV TM hairpin
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, MALTOSE ABC TRANSPORTER PERIPLASMIC PROTEIN, ...
著者Schuettelkopf, A.W, Lamb, D, Brighty, D.W, van Aalten, D.M.F.
登録日2010-11-22
公開日2011-03-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Charge-Surrounded Pockets and Electrostatic Interactions with Small Ions Modulate the Activity of Retroviral Fusion Proteins.
Plos Pathog., 7, 2011
7JRV
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BU of 7jrv by Molmil
Phospholipase D engineered mutant bound to phosphatidic acid (30 minute soak)
分子名称: (2R)-3-(phosphonooxy)propane-1,2-diyl dibutanoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ...
著者Vrielink, A, Samantha, A.
登録日2020-08-13
公開日2021-04-28
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structures of an engineered phospholipase D with specificity for secondary alcohol transphosphatidylation: insights into plasticity of substrate binding and activation.
Biochem.J., 478, 2021
7JRU
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BU of 7jru by Molmil
Phospholipase D engineered mutant bound to phosphatidic acid (8 hour soak)
分子名称: (2R)-3-(phosphonooxy)propane-1,2-diyl dibutanoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ...
著者Vrielink, A, Samantha, A.
登録日2020-08-13
公開日2021-04-28
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structures of an engineered phospholipase D with specificity for secondary alcohol transphosphatidylation: insights into plasticity of substrate binding and activation.
Biochem.J., 478, 2021
7KA0
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BU of 7ka0 by Molmil
Crystal structure of the complex of M. tuberculosis PheRS with cognate precursor tRNA and phenylalanine
分子名称: ACETATE ION, GLYCEROL, MAGNESIUM ION, ...
著者Chang, C, Michalska, K, Jedrzejczak, R, Wower, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-09-29
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mycobacterium tuberculosis Phe-tRNA synthetase: structural insights into tRNA recognition and aminoacylation.
Nucleic Acids Res., 49, 2021
1AFK
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BU of 1afk by Molmil
CRYSTAL STRUCTURE OF RIBONUCLEASE A IN COMPLEX WITH 5'-DIPHOSPHOADENOSINE-3'-PHOSPHATE
分子名称: 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, RIBONUCLEASE A
著者Leonidas, D.D, Acharya, K.R.
登録日1997-03-08
公開日1998-03-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of ribonuclease A complexes with 5'-diphosphoadenosine 3'-phosphate and 5'-diphosphoadenosine 2'-phosphate at 1.7 A resolution.
Biochemistry, 36, 1997
5BXN
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BU of 5bxn by Molmil
Yeast 20S proteasome beta2-G170A mutant in complex with Bortezomib
分子名称: CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ...
著者Huber, E.M, Groll, M.
登録日2015-06-09
公開日2016-06-15
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Defective immuno- and thymoproteasome assembly causes severe immunodeficiency.
Sci Rep, 8, 2018
1OIV
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BU of 1oiv by Molmil
X-ray structure of the small G protein Rab11a in complex with GDP
分子名称: 1,2-ETHANEDIOL, GUANOSINE-5'-DIPHOSPHATE, RAS-RELATED PROTEIN RAB-11A, ...
著者Pasqualato, S, Senic-Matuglia, F, Renault, L, Goud, B, Salamero, J, Cherfils, J.
登録日2003-06-26
公開日2004-01-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献The Structural Gdp/GTP Cycle of Rab11 Reveals a Novel Interface Involved in the Dynamics of Recycling Endosomes
J.Biol.Chem., 279, 2004
4E4R
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BU of 4e4r by Molmil
EutD phosphotransacetylase from Staphylococcus aureus
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Osipiuk, J, Zhou, M, Peterson, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-03-13
公開日2012-03-28
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献EutD phosphotransacetylase from Staphylococcus aureus.
To be Published
1TGM
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BU of 1tgm by Molmil
Crystal structure of a complex formed between group II phospholipase A2 and aspirin at 1.86 A resolution
分子名称: 2-(ACETYLOXY)BENZOIC ACID, CALCIUM ION, Phospholipase A2, ...
著者Singh, N, Jabeen, T, Sharma, S, Bhushan, A, Singh, T.P.
登録日2004-05-28
公開日2004-06-08
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Crystal structure of a complex formed between group II phospholipase A2 and aspirin at 1.86 A resolution
To be Published
7E3H
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BU of 7e3h by Molmil
Crystal structure of human acetylcholinesterase in complex with donepezil
分子名称: 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
著者Dileep, K.V, Ihara, K, Mishima-Tsumagari, C, Kukimoto-Niino, M, Yonemochi, M, Hanada, K, Shirouzu, M, Zhang, K.Y.J.
登録日2021-02-08
公開日2022-02-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of human acetylcholinesterase in complex with tacrine: Implications for drug discovery
Int.J.Biol.Macromol., 210, 2022
1Y2B
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BU of 1y2b by Molmil
Catalytic Domain Of Human Phosphodiesterase 4D In Complex With 3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester
分子名称: 1,2-ETHANEDIOL, 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, MAGNESIUM ION, ...
著者Card, G.L, Blasdel, L, England, B.P, Zhang, C, Suzuki, Y, Gillette, S, Fong, D, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J.
登録日2004-11-22
公開日2005-03-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design
Nat.Biotechnol., 23, 2005
2DBA
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BU of 2dba by Molmil
The solution structure of the tetratrico peptide repeat of human Smooth muscle cell associated protein-1, isoform 2
分子名称: Smooth muscle cell associated protein-1, isoform 2
著者Tochio, N, Sasagawa, A, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-12-15
公開日2006-06-15
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献The solution structure of the tetratrico peptide repeat of human Smooth muscle cell associated protein-1, isoform 2
To be Published
7VXP
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BU of 7vxp by Molmil
Matrix arm of active state CI from Q10 dataset
分子名称: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Acyl carrier protein, ...
著者Gu, J.K, Yang, M.J.
登録日2021-11-13
公開日2022-11-23
最終更新日2023-06-07
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
4EXL
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BU of 4exl by Molmil
Crystal structure of phosphate ABC transporter, periplasmic phosphate-binding protein PstS 1 (PBP1) from Streptococcus pneumoniae Canada MDR_19A
分子名称: CHLORIDE ION, MAGNESIUM ION, Phosphate-binding protein pstS 1
著者Stogios, P.J, Wawrzak, Z, Kudritska, M, Minasov, G, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-04-30
公開日2012-05-30
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 phosphate ABC transporter, periplasmic phosphate-binding protein PstS 1 (PBP1) from Streptococcus pneumoniae Canada MDR_19A
To be Published
1CKP
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BU of 1ckp by Molmil
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR PURVALANOL B
分子名称: 1,2-ETHANEDIOL, PROTEIN (CYCLIN-DEPENDENT PROTEIN KINASE 2), PURVALANOL B
著者Gray, N.S, Thunnissen, A.M.W.H, Schultz, P.G, Kim, S.H.
登録日1998-07-14
公開日1999-01-13
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Exploiting chemical libraries, structure, and genomics in the search for kinase inhibitors.
Science, 281, 1998
1YAU
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BU of 1yau by Molmil
Structure of Archeabacterial 20S proteasome- PA26 complex
分子名称: GLYCEROL, Proteasome alpha subunit, Proteasome beta subunit, ...
著者Forster, A, Masters, E.I, Whitby, F.G, Robinson, H, Hill, C.P.
登録日2004-12-17
公開日2005-07-26
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The 1.9 A structure of a proteasome-11S activator complex and implications for proteasome-PAN/PA700 interactions.
Mol.Cell, 18, 2005
2UYB
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S161A mutant of Bacillus subtilis Oxalate Decarboxylase OxdC
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, MANGANESE (II) ION, ...
著者Just, V.J, Burrell, M.R, Bowater, L, McRobbie, I, Stevenson, C.E.M, Lawson, D.M, Bornemann, S.
登録日2007-04-03
公開日2007-08-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Identity of the Active Site of Oxalate Decarboxylase and the Importance of the Stability of Active-Site Lid Conformations.
Biochem.J., 407, 2007
2UYA
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DEL162-163 mutant of Bacillus subtilis Oxalate Decarboxylase OxdC
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
著者Just, V.J, Burrell, M.R, Bowater, L, McRobbie, I, Stevenson, C.E.M, Lawson, D.M, Bornemann, S.
登録日2007-04-03
公開日2007-08-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Identity of the Active Site of Oxalate Decarboxylase and the Importance of the Stability of Active-Site Lid Conformations.
Biochem.J., 407, 2007
7VYH
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BU of 7vyh by Molmil
Matrix arm of deactive state CI from Rotenone dataset
分子名称: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Acyl carrier protein, ...
著者Gu, J.K, Yang, M.J.
登録日2021-11-14
公開日2022-11-23
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
3I2H
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Cocaine Esterase with mutation L169K, bound to DTT adduct
分子名称: (4S,5S)-4,5-BIS(MERCAPTOMETHYL)-1,3-DIOXOLAN-2-OL, CHLORIDE ION, Cocaine esterase, ...
著者Tesmer, J.J.G, Nance, M.R.
登録日2009-06-29
公開日2010-06-16
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural analysis of thermostabilizing mutations of cocaine esterase.
Protein Eng.Des.Sel., 23, 2010
5REB
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BU of 5reb by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2856434899
分子名称: 1-[(thiophen-3-yl)methyl]piperidin-4-ol, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
登録日2020-03-15
公開日2020-03-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
1CNV
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CRYSTAL STRUCTURE OF CONCANAVALIN B AT 1.65 A RESOLUTION
分子名称: CONCANAVALIN B
著者Hennig, M.
登録日1995-02-20
公開日1996-03-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of concanavalin B at 1.65 A resolution. An "inactivated" chitinase from seeds of Canavalia ensiformis.
J.Mol.Biol., 254, 1995

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