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2VIN
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BU of 2vin by Molmil
Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator
分子名称: (2R)-1-(2,6-dimethylphenoxy)propan-2-amine, ACETATE ION, SULFATE ION, ...
著者Frederickson, M, Callaghan, O, Chessari, G, Congreve, M, Cowan, S.R, Matthews, J.E, McMenamin, R, Smith, D, Vinkovic, M, Wallis, N.G.
登録日2007-12-05
公開日2008-01-22
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator
J.Med.Chem., 51, 2008
1NYK
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BU of 1nyk by Molmil
Crystal Structure of the Rieske protein from Thermus thermophilus
分子名称: FE2/S2 (INORGANIC) CLUSTER, MAGNESIUM ION, Rieske iron-sulfur protein
著者Hunsicker-Wang, L.M, Heine, A, Chen, Y, Luna, E.P, Todaro, T, Zhang, Y.M, Williams, P.A, McRee, D.E, Hirst, J, Stout, C.D, Fee, J.A.
登録日2003-02-12
公開日2003-06-24
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献High resolution structure of the soluble, respiratory-type Rieske protein from Thermus thermophilus: Analysis and Comparison
Biochemistry, 42, 2003
2VIP
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BU of 2vip by Molmil
Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator
分子名称: 4-(2-AMINOETHOXY)-3,5-DICHLORO-N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE, ACETATE ION, SULFATE ION, ...
著者Frederickson, M, Callaghan, O, Chessari, G, Congreve, M, Cowan, S.R, Matthews, J.E, McMenamin, R, Smith, D, Vinkovic, M, Wallis, N.G.
登録日2007-12-05
公開日2008-01-22
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator
J.Med.Chem., 51, 2008
4YN2
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BU of 4yn2 by Molmil
THE ATOMIC STRUCTURE OF WISEANA SPP ENTOMOPOXVIRUS (WSEPV) FUSOLIN SPINDLES
分子名称: 1,2-ETHANEDIOL, FUSOLIN, ZINC ION, ...
著者Chiu, E, Bunker, R.D, Metcalf, P.
登録日2015-03-09
公開日2015-04-08
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structural basis for the enhancement of virulence by viral spindles and their in vivo crystallization.
Proc.Natl.Acad.Sci.USA, 112, 2015
2UZ2
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BU of 2uz2 by Molmil
Crystal structure of Xenavidin
分子名称: ACETATE ION, BIOTIN, XENAVIDIN
著者Helppolainen, S.H, Maatta, J.A.E, Airenne, T.T, Johnson, M.S, Kulomaa, M.S, Nordlund, H.R.
登録日2007-04-24
公開日2008-06-03
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and Functional Characteristics of Xenavidin, the First Frog Avidin from Xenopus Tropicalis.
Bmc Struct.Biol., 9, 2009
8VA4
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BU of 8va4 by Molmil
Crystal structure of CapGH16_3 enzyme retrieved from capybara gut metagenome
分子名称: CALCIUM ION, Glycoside hydrolase family 16, PHOSPHATE ION
著者Vieira, P.S, Martins, M.P, Morais, M.A.B, Mandelli, F, Chinaglia, M, Lima, E.A, Murakami, M.T.
登録日2023-12-11
公開日2024-10-23
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献A functionally augmented carbohydrate utilization locus from herbivore gut microbiota fueled by dietary beta-glucans.
NPJ Biofilms Microbiomes, 10, 2024
5R4G
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BU of 5r4g by Molmil
PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000621a
分子名称: 4-(1,2,3-thiadiazol-4-yl)phenyl ethylcarbamate, DIMETHYL SULFOXIDE, Nucleosome-remodeling factor subunit BPTF
著者Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2020-02-24
公開日2020-04-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献PanDDA analysis group deposition
To Be Published
2VQH
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BU of 2vqh by Molmil
Crystal structure of PorB from Corynebacterium glutamicum (crystal form II)
分子名称: CACODYLATE ION, PUTATIVE UNCHARACTERIZED PROTEIN CGL0972, ZINC ION
著者Ziegler, K, Benz, R, Schulz, G.E.
登録日2008-03-15
公開日2008-05-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献A Putative Alpha-Helical Porin from Corynebacterium Glutamicum.
J.Mol.Biol., 379, 2008
4JAX
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BU of 4jax by Molmil
Crystal structure of dimeric KlHxk1 in crystal form X
分子名称: GLYCEROL, Hexokinase, PHOSPHATE ION
著者Kuettner, E.B, Strater, N, Kettner, K, Otto, A, Lilie, H, Golbik, R.P, Kriegel, T.M.
登録日2013-02-19
公開日2013-05-01
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献In vivo phosphorylation and in vitro autophosphorylation-inactivation of Kluyveromyces lactis hexokinase KlHxk1.
Biochem.Biophys.Res.Commun., 435, 2013
2NZ6
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BU of 2nz6 by Molmil
Crystal structure of the PTPRJ inactivating mutant C1239S
分子名称: CHLORIDE ION, NICKEL (II) ION, PHOSPHATE ION, ...
著者Ugochukwu, E, Barr, A, Savitsky, P, Pike, A.C.W, Bunkoczi, G, Sundstrom, M, Weigelt, J, Arrowsmith, C.H, Edwards, A, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC)
登録日2006-11-22
公開日2006-12-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
6II0
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BU of 6ii0 by Molmil
Crystal structure of the Makes Caterpillars Floppy (MCF)-Like effector of Vibrio vulnificus MO6-24/O
分子名称: GLYCEROL, Putative RTX-toxin
著者Lee, Y, Kim, B.S, Choi, S, Lee, E.Y, Park, S, Hwang, J, Kwon, Y, Hyun, J, Lee, C, Eom, S.H, Kim, M.H.
登録日2018-10-03
公開日2019-08-07
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Makes caterpillars floppy-like effector-containing MARTX toxins require host ADP-ribosylation factor (ARF) proteins for systemic pathogenicity.
Proc.Natl.Acad.Sci.USA, 116, 2019
8SG3
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BU of 8sg3 by Molmil
High Affinity nanobodies against GFP
分子名称: Green fluorescent protein, LaG41
著者Ketaren, N.E, Rout, M.P, Bonanno, J.B, Almo, S.C.
登録日2023-04-11
公開日2024-05-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献High Affinity nanobodies against GFP
To Be Published
4YO9
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BU of 4yo9 by Molmil
HKU4 3CLpro unbound structure
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3C-like proteinase, ACETATE ION, ...
著者St John, S.E, Mesecar, A.
登録日2015-03-11
公開日2015-08-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Targeting zoonotic viruses: Structure-based inhibition of the 3C-like protease from bat coronavirus HKU4-The likely reservoir host to the human coronavirus that causes Middle East Respiratory Syndrome (MERS).
Bioorg.Med.Chem., 23, 2015
4YDG
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BU of 4ydg by Molmil
Crystal structure of compound 10 in complex with HTLV-1 Protease
分子名称: HTLV-1 protease, N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE), SULFATE ION
著者Kuhnert, M, Blum, A, Steuber, H, Diederich, W.E.
登録日2015-02-22
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Privileged Structures Meet Human T-Cell Leukemia Virus-1 (HTLV-1): C2-Symmetric 3,4-Disubstituted Pyrrolidines as Nonpeptidic HTLV-1 Protease Inhibitors.
J.Med.Chem., 58, 2015
1NMW
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BU of 1nmw by Molmil
Solution structure of the PPIase domain of human Pin1
分子名称: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION
著者Bayer, E, Goettsch, S, Mueller, J.W, Griewel, B, Guiberman, E, Mayr, L, Bayer, P.
登録日2003-01-12
公開日2003-07-15
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural Analysis of the Mitotic Regulator hPin1 in Solution: INSIGHTS INTO DOMAIN ARCHITECTURE AND SUBSTRATE BINDING.
J.Biol.Chem., 278, 2003
4AOK
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BU of 4aok by Molmil
Conformational dynamics of aspartate alpha-decarboxylase active site revealed by protein-ligand complexes: 1-methyl-L-aspartate complex
分子名称: ASPARTATE 1-DECARBOXYLASE ALPHA CHAIN, ASPARTATE 1-DECARBOXYLASE BETA CHAIN
著者Yorke, B.A, Monteiro, D.C.F, Pearson, A.R, Webb, M.E.
登録日2012-03-28
公開日2012-10-31
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Conformational Dynamics of Aspartate Alpha Decarboxylase Active Site Revealed by Protein-Ligand Complexes
To be Published
2VON
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BU of 2von by Molmil
Crystal structure of N-terminal domains of Human La protein complexed with RNA oligomer AUAAUUU
分子名称: 5'-R(*AP*UP*AP*AP*UP*UP*UP)-3', LUPUS LA PROTEIN
著者Kotik-Kogan, O, Valentine, E.R, Sanfelice, D, Conte, M.R, Curry, S.
登録日2008-02-19
公開日2008-05-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Analysis Reveals Conformational Plasticity in the Recognition of RNA 3' Ends by the Human La Protein.
Structure, 16, 2008
4N8Q
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BU of 4n8q by Molmil
Alternative substrates of Mycobacterium tuberculosis anthranilate phosphoribosyl transferase
分子名称: 2-amino-4-fluorobenzoic acid, Anthranilate phosphoribosyltransferase
著者Castell, A, Cookson, T.V.M, Bulloch, E, Evans, G.L, Baker, E.N, Lott, J.S, Parker, E.J.
登録日2013-10-17
公開日2014-04-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Alternative substrates reveal catalytic cycle and key binding events in the reaction catalysed by anthranilate phosphoribosyltransferase from Mycobacterium tuberculosis.
Biochem.J., 461, 2014
2W3Z
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BU of 2w3z by Molmil
Structure of a Streptococcus mutans CE4 esterase
分子名称: PHOSPHATE ION, PUTATIVE DEACETYLASE, ZINC ION
著者Deng, D.M, Urch, J.E, ten Cate, J.M, Rao, V.A, van Aalten, D.M.F, Crielaard, W.
登録日2008-11-17
公開日2008-12-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Streptococcus Mutans Smu.623C Codes for a Functional, Metal Dependent Polysaccharide Deacetylase that Modulates Interactions with Salivary Agglutinin.
J.Bacteriol., 191, 2009
5DJ3
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BU of 5dj3 by Molmil
Structure of the PLP-Dependent L-Arginine Hydroxylase MppP with D-Arginine Bound
分子名称: (E)-N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-D-arginine, MAGNESIUM ION, PLP-Dependent L-Arginine Hydroxylase MppP
著者Silvaggi, N.R, Han, L.
登録日2015-09-01
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.227 Å)
主引用文献Streptomyces wadayamensis MppP Is a Pyridoxal 5'-Phosphate-Dependent l-Arginine alpha-Deaminase, gamma-Hydroxylase in the Enduracididine Biosynthetic Pathway.
Biochemistry, 54, 2015
2C8G
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BU of 2c8g by Molmil
Structure of the PN loop Q182A mutant C3bot1 Exoenzyme (Free state, crystal form I)
分子名称: MONO-ADP-RIBOSYLTRANSFERASE C3, SULFATE ION
著者Stura, E.A, Menetrey, J, Flatau, G, Boquet, P, Menez, A.
登録日2005-12-03
公開日2007-02-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Properties of Wild-Type and Two Artt Motif Mutants Clostridium Botulinum C3 Exoenzyme Isoform 1 in Different Substrate Complexed States and Crystal Forms.
To be Published
4JF8
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BU of 4jf8 by Molmil
Crystal structure of a TrwG component of type IV secretion system protein from Bartonella birtlesii
分子名称: 1,2-ETHANEDIOL, TrwG component of type IV secretion system
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-02-27
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural Insight into How Bacteria Prevent Interference between Multiple Divergent Type IV Secretion Systems.
MBio, 6, 2015
2W45
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BU of 2w45 by Molmil
Epstein-Barr virus alkaline nuclease
分子名称: ALKALINE EXONUCLEASE
著者Buisson, M, Geoui, T, Flot, D, Tarbouriech, N, Burmeister, W.P.
登録日2008-11-21
公開日2009-06-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A Bridge Crosses the Active Site Canyon of the Epstein-Barr Virus Nuclease with DNase and Rnase Activity.
J.Mol.Biol., 391, 2009
1CIK
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BU of 1cik by Molmil
RECOMBINANT SPERM WHALE MYOGLOBIN I99A MUTANT (MET)
分子名称: PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Liong, E.C, Phillips Jr, G.N.
登録日1999-04-01
公開日1999-04-09
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Waterproofing the heme pocket. Role of proximal amino acid side chains in preventing hemin loss from myoglobin.
J.Biol.Chem., 276, 2001
3CFK
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BU of 3cfk by Molmil
Crystal structure of catalytic elimination antibody 34E4, triclinic crystal form
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, CATALYTIC ANTIBODY FAB 34E4 HEAVY CHAIN,Uncharacterized protein, ...
著者Debler, E.W, Wilson, I.A.
登録日2008-03-04
公開日2008-04-15
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Conformational isomerism can limit antibody catalysis.
J.Biol.Chem., 283, 2008

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