2Y80
 
 | | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs | | Descriptor: | 6-CHLORO-N-{(3S)-1-[(1S)-1-(DIMETHYLAMINO)-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S. | | Deposit date: | 2011-02-02 | | Release date: | 2011-03-16 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
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3DSG
 | | XC1028 from Xanthomonas campestris Adopts a PilZ Domain-like Structure Yet with Trivial c-di-GMP Binding Activity | | Descriptor: | Type IV fimbriae assembly protein | | Authors: | Li, T.N, Chin, K.H, Liu, J.H, Wang, A.H.J, Chou, S.H. | | Deposit date: | 2008-07-12 | | Release date: | 2009-05-19 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | XC1028 from Xanthomonas campestris adopts a PilZ domain-like structure without a c-di-GMP switch.
Proteins, 75, 2009
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5UYO
 | | Solution NMR structure of the de novo mini protein HEEH_rd4_0097 | | Descriptor: | HEEH_rd4_0097 | | Authors: | Lemak, A, Rocklin, G.J, Houliston, S, Carter, L, Chidyausiku, T.M, Baker, D, Arrowsmith, C.H. | | Deposit date: | 2017-02-24 | | Release date: | 2017-07-26 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Global analysis of protein folding using massively parallel design, synthesis, and testing.
Science, 357, 2017
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3ROF
 | | Crystal Structure of the S. aureus Protein Tyrosine Phosphatase PtpA | | Descriptor: | Expression tag cleaved from protein-tyrosine-phosphatase ptpA, Low molecular weight protein-tyrosine-phosphatase ptpA, PHOSPHATE ION | | Authors: | Grundner, C, Chou, S, Engel, K. | | Deposit date: | 2011-04-25 | | Release date: | 2011-09-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Structure and substrate recognition of the Staphylococcus aureus protein tyrosine phosphatase PtpA.
J.Mol.Biol., 413, 2011
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4KBY
 | | mSTING/c-di-GMP | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Stimulator of interferon genes protein | | Authors: | Chin, K.H, Su, Y.C, Tu, J.L, Chou, S.H. | | Deposit date: | 2013-04-24 | | Release date: | 2013-05-29 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Novel c-di-GMP recognition modes of the mouse innate immune adaptor protein STING
Acta Crystallogr.,Sect.D, 69, 2013
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4KC0
 | | mSTING | | Descriptor: | Stimulator of interferon genes protein | | Authors: | Chin, K.H, Su, Y.C, Tu, J.L, Chou, S.H. | | Deposit date: | 2013-04-24 | | Release date: | 2013-05-29 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Novel c-di-GMP recognition modes of the mouse innate immune adaptor protein STING
Acta Crystallogr.,Sect.D, 69, 2013
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5TLQ
 | | Model structure of the oxidized PaDsbA1 and 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine complex | | Descriptor: | 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine, Thiol:disulfide interchange protein DsbA | | Authors: | Mohanty, B, Rimmer, K.A, McMahon, R.M, Headey, S.J, Vazirani, M, Shouldice, S.R, Coincon, M, Tay, S, Morton, C.J, Simpson, J.S, Martin, J.L, Scanlon, M.S. | | Deposit date: | 2016-10-11 | | Release date: | 2017-04-12 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Fragment library screening identifies hits that bind to the non-catalytic surface of Pseudomonas aeruginosa DsbA1.
PLoS ONE, 12, 2017
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4YP1
 | | Misting with CDA | | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Stimulator of interferon genes protein | | Authors: | Chin, K.H, Chen, C.K, Tu, Z.I, Chou, S.H. | | Deposit date: | 2015-03-12 | | Release date: | 2015-10-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural Insights into the Distinct Binding Mode of Cyclic Di-AMP with SaCpaA_RCK.
Biochemistry, 54, 2015
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4BUL
 | | Novel hydroxyl tricyclics (e.g. GSK966587) as potent inhibitors of bacterial type IIA topoisomerases | | Descriptor: | (S)-4-((4-(((2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)methyl)amino)piperidin-1-yl)methyl)-3-fluoro-4-hydroxy-4H-pyrrolo[3,2,1-de][1,5]naphthyridin-7(5H)-one, 5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*AP*CP *CP*GP*CP*AP*C)-3', 5'-D(*TP*GP*TP*GP*CP*GP*GP*TP*GP*TP*AP*CP*CP*TP *AP*CP*GP*GP*CP*T)-3', ... | | Authors: | Miles, T.J, Hennessy, A.J, Bax, B, Brooks, G, Brown, B.S, Brown, P, Cailleau, N, Chen, D, Dabbs, S, Davies, D.T, Esken, J.M, Giordano, I, Hoover, J.L, Huang, J, Jones, G.E, Sukmar, S.K.K, Spitzfaden, C, Markwell, R.E, Minthorn, E.A, Rittenhouse, S, Gwynn, M.N, Pearson, N.D. | | Deposit date: | 2013-06-20 | | Release date: | 2013-08-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Novel Hydroxyl Tricyclics (E.G., Gsk966587) as Potent Inhibitors of Bacterial Type Iia Topoisomerases.
Bioorg.Med.Chem.Lett., 23, 2013
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2VH6
 | | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with biaryl P4 motifs | | Descriptor: | 2-(5-chlorothiophen-2-yl)-N-{(3S)-1-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN | | Authors: | Young, R.J, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chan, C, Charbaut, M, Chung, C.W, Convery, M.A, Kelly, H.A, King, N.P, Kleanthous, S, Mason, A.M, Pateman, A.J, Patikis, A.N, Pinto, I.L, Pollard, D.R, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E. | | Deposit date: | 2007-11-19 | | Release date: | 2008-12-16 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Biaryl P4 Motifs.
Bioorg.Med.Chem.Lett., 18, 2008
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5AA7
 | | Structural and functional characterization of a chitin-active 15.5 kDa lytic polysaccharide monooxygenase domain from a modular chitinase from Jonesia denitrificans | | Descriptor: | CHITINASE, COPPER (I) ION | | Authors: | Mekasha, S, Forsberg, Z, Dalhus, B, Choudhary, S, Schmidt-Dannert, C, Vaaje-Kolstad, G, Eijsink, V. | | Deposit date: | 2015-07-23 | | Release date: | 2015-12-09 | | Last modified: | 2017-09-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural and Functional Characterization of a Small Chitin-Active Lytic Polysaccharide Monooxygenase Domain of a Multi-Modular Chitinase from Jonesia Denitrificans.
FEBS Lett., 590, 2016
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3QYY
 | | A Novel Interaction Mode between a Microbial GGDEF Domain and the Bis-(3, 5 )-cyclic di-GMP | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | | Authors: | Yang, C.-Y, Chin, K.-H, Chou, S.-H. | | Deposit date: | 2011-03-04 | | Release date: | 2011-11-30 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The structure and inhibition of a GGDEF diguanylate cyclase complexed with (c-di-GMP)(2) at the active site
Acta Crystallogr.,Sect.D, 67, 2011
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4KT3
 | | Structure of a type VI secretion system effector-immunity complex from Pseudomonas protegens | | Descriptor: | Putative lipoprotein, Uncharacterized protein | | Authors: | Whitney, J.C, Chou, S, Gardiner, T.E, Mougous, J.D. | | Deposit date: | 2013-05-19 | | Release date: | 2013-07-31 | | Last modified: | 2013-10-09 | | Method: | X-RAY DIFFRACTION (1.4362 Å) | | Cite: | Identification, Structure, and Function of a Novel Type VI Secretion Peptidoglycan Glycoside Hydrolase Effector-Immunity Pair.
J.Biol.Chem., 288, 2013
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3RQA
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3PH1
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1MFP
 | | E. coli Enoyl Reductase in complex with NAD and SB611113 | | Descriptor: | (E)-N-METHYL-N-(1-METHYL-1H-INDOL-3-YLMETHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-ACRYLAMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Seefeld, M.A, Miller, W.H, Newlander, K.A, Burgess, W.J, DeWolf Jr, W.E, Elkins, P.A, Head, M.S, Jakas, D.R, Janson, C.A, Keller, P.M, Manley, P.J, Moore, T.D, Payne, D.J, Pearson, S, Polizzi, B.J, Qiu, X, Rittenhouse, S.F, Uzinskas, I.N, Wallis, N.G, Huffman, W.F. | | Deposit date: | 2002-08-13 | | Release date: | 2003-05-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Indole Naphthyridinones as Inhibitors of Bacterial Enoyl-ACP Reductases FabI and FabK
J.MED.CHEM., 46, 2003
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3TB2
 | | 1-Cys peroxidoxin from Plasmodium Yoelli | | Descriptor: | 1,2-ETHANEDIOL, 1-Cys peroxiredoxin, GLYCEROL, ... | | Authors: | Qiu, W, Artz, J.D, Vedadi, M, Sharma, S, Houston, S, Lew, J, Wasney, G, Amani, M, Xu, X, Bray, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Hui, R, Bochkarev, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-08-04 | | Release date: | 2011-10-19 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
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3OD7
 | | Haemophilus influenzae ferric binding protein A -Iron Loaded | | Descriptor: | FE (III) ION, Iron-utilization periplasmic protein, PHOSPHATE ION | | Authors: | Khambati, H.K, Moraes, T.F, Singh, J, Shouldice, S.R, Yu, R.H, Schryvers, A.B. | | Deposit date: | 2010-08-11 | | Release date: | 2010-09-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | The role of vicinal tyrosine residues in the function of Haemophilus influenzae ferric binding protein A.
Biochem.J., 2010
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3ODB
 | | Haemophilus influenzae ferric binding protein A -Iron Loaded -open Conformation | | Descriptor: | FE (III) ION, Iron-utilization periplasmic protein | | Authors: | Khambati, H.K, Moraes, T.F, Singh, J, Shouldice, S.R, Yu, R.H, Schryvers, A.B. | | Deposit date: | 2010-08-11 | | Release date: | 2010-09-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | The role of vicinal tyrosine residues in the function of Haemophilus influenzae ferric binding protein A.
Biochem.J., 2010
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1LXC
 | | Crystal Structure of E. Coli Enoyl Reductase-NAD+ with a Bound Acrylamide Inhibitor | | Descriptor: | 3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Miller, W.H, Seefeld, M.A, Newlander, K.A, Uzinskas, I.N, Burgess, W.J, Heerding, D.A, Yuan, C.C.K, Head, M.S, Payne, D.J, Rittenhouse, S.F, Moore, T.D, Pearson, S.C, Dewolf, V, Berry, W.E, Keller, P.M, Polizzi, B.J, Qiu, X, Janson, C.A, Huffman, W.F. | | Deposit date: | 2002-06-05 | | Release date: | 2002-09-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of aminopyridine-based inhibitors of bacterial enoyl-ACP reductase (FabI).
J.Med.Chem., 45, 2002
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1J4Q
 | | NMR STRUCTURE OF THE FHA1 DOMAIN OF RAD53 IN COMPLEX WITH A RAD9-DERIVED PHOSPHOTHREONINE (AT T192) PEPTIDE | | Descriptor: | DNA REPAIR PROTEIN RAD9, PROTEIN KINASE SPK1 | | Authors: | Yuan, C, Yongkiettrakul, S, Byeon, I.-J.L, Zhou, S, Tsai, M.-D. | | Deposit date: | 2001-10-22 | | Release date: | 2001-12-05 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structures of two FHA1-phosphothreonine peptide complexes provide insight into the structural basis of the ligand specificity of FHA1 from yeast Rad53.
J.Mol.Biol., 314, 2001
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4F3H
 | | The structural of FimXEAL-c-di-GMP from Xanthomonas campestris | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Putative uncharacterized protein | | Authors: | Chin, K.-H, Liao, Y.-T, Chou, S.-H. | | Deposit date: | 2012-05-09 | | Release date: | 2012-11-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural polymorphism of c-di-GMP bound to an EAL domain and in complex with a type II PilZ-domain protein.
Acta Crystallogr.,Sect.D, 68, 2012
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1J4P
 | | NMR STRUCTURE OF THE FHA1 DOMAIN OF RAD53 IN COMPLEX WITH A RAD9-DERIVED PHOSPHOTHREONINE (AT T155) PEPTIDE | | Descriptor: | DNA REPAIR PROTEIN RAD9, PROTEIN KINASE SPK1 | | Authors: | Yuan, C, Yongkiettrakul, S, Byeon, I.-J.L, Zhou, S, Tsai, M.-D. | | Deposit date: | 2001-10-22 | | Release date: | 2001-12-05 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structures of two FHA1-phosphothreonine peptide complexes provide insight into the structural basis of the ligand specificity of FHA1 from yeast Rad53.
J.Mol.Biol., 314, 2001
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4F48
 | | The X-ray structural of FimXEAL-c-di-GMP-PilZ complexes from Xanthomonas campestris | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Putative uncharacterized protein, Type IV fimbriae assembly protein | | Authors: | Chin, K.-H, Liao, Y.-T, Chou, S.-H. | | Deposit date: | 2012-05-10 | | Release date: | 2012-11-14 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural polymorphism of c-di-GMP bound to an EAL domain and in complex with a type II PilZ-domain protein.
Acta Crystallogr.,Sect.D, 68, 2012
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3L9U
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