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4AOG
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BU of 4aog by Molmil
Solution structure of the Class II hydrophobin NC2
分子名称: NC2
著者Ren, Q, Kwan, A.H, Sunde, M.
登録日2012-03-26
公開日2013-06-05
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Solution Structure and Interface-Driven Self-Assembly of Nc2, a New Member of the Class II Hydrophobin Proteins.
Proteins, 82, 2014
4ABI
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BU of 4abi by Molmil
Co-complex structure of bovine trypsin with a modified Bowman-Birk inhibitor (PtA)SFTI-1(1,14), that was 1,4-disubstituted with a 1,2,3- trizol to mimic a trans amide bond
分子名称: CALCIUM ION, CATIONIC TRYPSIN, DIMETHYLFORMAMIDE, ...
著者Schmelz, S, Empting, M, Tischler, M, Nasu, D, Heinz, D, Kolmar, H.
登録日2011-12-08
公開日2012-03-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Braces for the Peptide Backbone: Insights Into Structure-Activity Relation-Ships of Protease Inhibitor Mimics with Locked Amide Conformations
Angew.Chem.Int.Ed.Engl., 51, 2012
4ABJ
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BU of 4abj by Molmil
Co-complex structure of bovine trypsin with a modified Bowman-Birk inhibitor (IcA)SFTI-1(1,14), that was 1,5-disubstituted with 1,2,3- trizol to mimic a cis amide bond
分子名称: CALCIUM ION, CATIONIC TRYPSIN, DIMETHYLFORMAMIDE, ...
著者Schmelz, S, Empting, M, Tischler, M, Nasu, D, Heinz, D, Kolmar, H.
登録日2011-12-08
公開日2012-03-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Braces for the Peptide Backbone: Insights Into Structure-Activity Relation-Ships of Protease Inhibitor Mimics with Locked Amide Conformations
Angew.Chem.Int.Ed.Engl., 51, 2012
3KUM
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BU of 3kum by Molmil
Crystal structure of Dipeptide Epimerase from Enterococcus faecalis V583 complexed with Mg and dipeptide L-Arg-L-Tyr
分子名称: ARGININE, Dipeptide Epimerase, MAGNESIUM ION, ...
著者Fedorov, A.A, Fedorov, E.V, Sakai, A, Gerlt, J.A, Almo, S.C.
登録日2009-11-27
公開日2010-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
4A7D
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BU of 4a7d by Molmil
X-ray crystal structure of HEWL flash-cooled at high pressure
分子名称: CHLORIDE ION, LYSOZYME C, SODIUM ION
著者Burkhardt, A, Warmer, M, Panneerselvam, S, Wagner, A, Reimer, R, Hohenberg, H, Meents, A.
登録日2011-11-14
公開日2011-11-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.497 Å)
主引用文献Fast High-Pressure Freezing of Protein Crystals in Their Mother Liquor
Acta Crystallogr.,Sect.F, 68, 2012
4ABF
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BU of 4abf by Molmil
Fragments bound to bovine trypsin for the SAMPL challenge
分子名称: 1,2-ETHANEDIOL, 1-(5-BROMO-1-BENZOTHIOPHEN-3-YL)METHANAMINE, CALCIUM ION, ...
著者Newman, J, Peat, T.S.
登録日2011-12-08
公開日2012-02-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
3ZZP
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BU of 3zzp by Molmil
Circular permutant of ribosomal protein S6, lacking edge strand beta- 2 of wild-type S6.
分子名称: RIBOSOMAL PROTEIN S6
著者Saraboji, K, Haglund, E, Lindberg, M.O, Oliveberg, M, Logan, D.T.
登録日2011-09-02
公開日2011-11-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Trimming Down a Protein Structure to its Bare Foldons: Spatial Organization of the Cooperative Unit.
J.Biol.Chem., 287, 2012
4QO0
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BU of 4qo0 by Molmil
Crystal structure of rhomboid intramembrane protease GlpG in complex with peptide derived inhibitor Ac-FATA-cmk
分子名称: ACE-PHE-ALA-THR-ALA-0QE, CHLORIDE ION, Rhomboid protease GlpG, ...
著者Zoll, S, Strisovsky, K.
登録日2014-06-19
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Substrate binding and specificity of rhomboid intramembrane protease revealed by substrate-peptide complex structures.
Embo J., 33, 2014
4AEI
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BU of 4aei by Molmil
Crystal structure of the AaHII-Fab4C1 complex
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ALPHA-MAMMAL TOXIN AAH2, CHLORIDE ION, ...
著者Fabrichny, I.P, Mondielli, G, Conrod, S, Martin-Eauclaire, M.F, Bourne, Y, Marchot, P.
登録日2012-01-10
公開日2012-03-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Insights Into Antibody Sequestering and Neutralizing of Na+-Channel & [Alpha]-Type Modulator from Old-World Scorpion Venom
J.Biol.Chem., 287, 2012
4QN1
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BU of 4qn1 by Molmil
Crystal Structure of a Functionally Uncharacterized Domain of E3 Ubiquitin Ligase SHPRH
分子名称: E3 ubiquitin-protein ligase SHPRH, SULFATE ION, UNKNOWN ATOM OR ION, ...
著者Dong, A, Zhang, Q, Li, Y, Walker, J.R, Guan, X, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
登録日2014-06-17
公開日2014-08-13
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Crystal structure of a Function Uncharacterized Domain of E3 Ubiquitin Ligase SHPRH
To be Published
4QNU
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BU of 4qnu by Molmil
Crystal structure of CmoB bound with Cx-SAM in P21212
分子名称: (2S)-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio] -2-ammoniobutanoate, PHOSPHATE ION, tRNA (mo5U34)-methyltransferase
著者Kim, J, Toro, R, Bhosle, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2014-06-18
公開日2014-09-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Determinants of the CmoB carboxymethyl transferase utilized for selective tRNA wobble modification.
Nucleic Acids Res., 43, 2015
3ZI8
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BU of 3zi8 by Molmil
Structure of the R17A mutant of the Ralstonia soleanacerum lectin at 1.5 Angstrom in complex with L-fucose
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, MAGNESIUM ION, PUTATIVE FUCOSE-BINDING LECTIN PROTEIN, ...
著者Arnaud, J, Audfray, A, Claudinon, J, Trondle, K, Trosvalet, M, Thomas, A, Varrot, A, Romer, W, Imberty, A.
登録日2013-01-07
公開日2013-07-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Reduction of Lectin Valency Drastically Changes Glycolipid Dynamics in Membranes, But not Surface Avidity.
Acs Chem.Biol., 8, 2013
3Q9H
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BU of 3q9h by Molmil
LVFFA segment from Alzheimer's Amyloid-Beta displayed on 42-membered macrocycle scaffold
分子名称: 1,4-BUTANEDIOL, Cyclic pseudo-peptide LVFFA(ORN)(HAO)LK(ORN), GLYCEROL, ...
著者Liu, C, Sawaya, M.R, Eisenberg, D, Nowick, J.S, Cheng, P, Zheng, J.
登録日2011-01-07
公開日2011-06-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Characteristics of Amyloid-Related Oligomers Revealed by Crystal Structures of Macrocyclic beta-Sheet Mimics.
J.Am.Chem.Soc., 133, 2011
3X2R
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BU of 3x2r by Molmil
Structure of the nonameric bacterial amyloid secretion channel CsgG
分子名称: CsgG
著者Huang, Y, Cao, B, Zhao, Y, Kou, Y, Ni, D, Zhang, X.C.
登録日2014-12-29
公開日2015-01-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of the nonameric bacterial amyloid secretion channel
Proc.Natl.Acad.Sci.USA, 111, 2014
4S0P
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BU of 4s0p by Molmil
Crystal Structure of the Autoinhibited Dimer of Pro-apoptotic BAX (II)
分子名称: Apoptosis regulator BAX
著者Priyadarshi, A, Gavathiotis, E.
登録日2015-01-04
公開日2016-07-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.252 Å)
主引用文献An Autoinhibited Dimeric Form of BAX Regulates the BAX Activation Pathway.
Mol.Cell, 63, 2016
3IJI
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BU of 3iji by Molmil
Structure of dipeptide epimerase from Bacteroides thetaiotaomicron complexed with L-Ala-D-Glu; nonproductive substrate binding.
分子名称: ALANINE, D-GLUTAMIC ACID, MAGNESIUM ION, ...
著者Fedorov, A.A, Fedorov, E.V, Lukk, T, Gerlt, J.A, Almo, S.C.
登録日2009-08-04
公開日2010-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
3IK4
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BU of 3ik4 by Molmil
CRYSTAL STRUCTURE OF mandelate racemase/muconate lactonizing protein from Herpetosiphon aurantiacus
分子名称: GLYCEROL, Mandelate racemase/muconate lactonizing protein, POTASSIUM ION
著者Patskovsky, Y, Toro, R, Dickey, M, Iizuka, M, Sauder, J.M, Gerlt, J.A, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-08-05
公開日2009-08-18
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
4RPD
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BU of 4rpd by Molmil
Crystal Structure of P Domain of 485 Norovirus
分子名称: Capsid protein
著者Singh, B.K, Hansman, G.S.
登録日2014-10-30
公開日2016-05-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Structural Constraints on Human Norovirus Binding to Histo-Blood Group Antigens.
mSphere, 1, 2016
2XTH
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BU of 2xth by Molmil
K2PtBr6 binding to lysozyme
分子名称: HEXABROMOPLATINATE(IV), LYSOZYME C
著者Helliwell, J.R, Bell, A.M.T, Bryant, P, Fisher, S, Habash, J, Helliwell, M, Margiolaki, I, Kaenket, S, Watier, Y, Wright, J, Yalamanchili, S.K.
登録日2010-10-07
公開日2010-12-08
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Time-Dependent Analysis of K2Ptbr6 Binding to Lysozyme Studied by Protein Powder and Single Crystal X-Ray Analysis
Z.Kristallogr., 225, 2010
2XXL
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BU of 2xxl by Molmil
Crystal structure of drosophila Grass clip serine protease of Toll pathway
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GRAM-POSITIVE SPECIFIC SERINE PROTEASE, ...
著者Kellenberger, C, Leone, P, Coquet, L, Jouenne, T, Reichhart, J.M, Roussel, A.
登録日2010-11-10
公開日2011-02-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Function Analysis of Grass Clip Serine Protease Involved in Drosophila Toll Pathway Activation.
J.Biol.Chem., 286, 2011
3QFR
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BU of 3qfr by Molmil
Crystal Structure of Human NADPH-Cytochrome P450 Reductase (R457H Mutant)
分子名称: CALCIUM ION, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Xia, C, Marohnic, C, Panda, S.P, Masters, B.S, Kim, J.-J.P.
登録日2011-01-22
公開日2011-08-03
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 human NADPH-cytochrome P450 oxidoreductase deficiency.
Proc.Natl.Acad.Sci.USA, 108, 2011
4A5Y
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BU of 4a5y by Molmil
Intermediate state of human kinesin Eg5 in complex with Ispinesib
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ISPINESIB MESILATE, ...
著者Kaan, H.Y.K, Kozielski, F.
登録日2011-10-29
公開日2012-11-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献"Snapshots" of Ispinesib-Induced Conformational Changes in the Mitotic Kinesin Eg5.
J.Biol.Chem., 288, 2013
2XTT
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BU of 2xtt by Molmil
Bovine trypsin in complex with evolutionary enhanced Schistocerca gregaria protease inhibitor 1 (SGPI-1-P02)
分子名称: ACETATE ION, CALCIUM ION, CATIONIC TRYPSIN, ...
著者Wahlgren, W.Y, Pal, G, Kardos, J, Porrogi, P, Szenthe, B, Patthy, A, Graf, L, Katona, G.
登録日2010-10-12
公開日2010-11-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (0.93 Å)
主引用文献The catalytic aspartate is protonated in the Michaelis complex formed between trypsin and an in vitro evolved substrate-like inhibitor: a refined mechanism of serine protease action.
J.Biol.Chem., 286, 2011
4ABG
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BU of 4abg by Molmil
Fragments bound to bovine trypsin for the SAMPL challenge
分子名称: 1,2-ETHANEDIOL, 1-[3-(4-METHYLPIPERAZIN-1-YL)PHENYL]METHANAMINE, CALCIUM ION, ...
著者Newman, J, Peat, T.S.
登録日2011-12-08
公開日2012-02-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
3TRQ
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BU of 3trq by Molmil
Crystal structure of native rabbit skeletal calsequestrin
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ...
著者Sanchez, E.J, Lewis, K.M, Munske, G.R, Nissen, M.S, Kang, C.
登録日2011-09-09
公開日2011-12-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Glycosylation of Skeletal Calsequestrin: IMPLICATIONS FOR ITS FUNCTION.
J.Biol.Chem., 287, 2012

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