5E7N
 
 | | Crystal Structure of RPA70N in complex with VU0085636 | | Descriptor: | 2-({3-[(4-bromophenyl)sulfamoyl]-4-methylbenzoyl}amino)benzoic acid, Replication protein A 70 kDa DNA-binding subunit | | Authors: | Gilston, B.A, Patrone, J.D, Pelz, N.F, Bates, B.S, Souza-Fagundes, E.M, Vangamudi, B, Camper, D, Kuznetsov, A, Browning, C.F, Feldkamp, M.D, Olejniczak, E.T, Rossanese, O.W, Waterson, A.G, Fesik, S.W, Chazin, W.J. | | Deposit date: | 2015-10-12 | | Release date: | 2016-01-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Identification and Optimization of Anthranilic Acid Based Inhibitors of Replication Protein A.
Chemmedchem, 11, 2016
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5DLW
 | | Crystal structure of Autotaxin (ENPP2) with tauroursodeoxycholic acid (TUDCA) and lysophosphatidic acid (LPA) | | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 2-{[(3alpha,5beta,7alpha,8alpha,14beta,17alpha)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid, CALCIUM ION, ... | | Authors: | Keune, W.J, Heidebrecht, T, Joosten, R.P, Perrakis, A. | | Deposit date: | 2015-09-07 | | Release date: | 2016-04-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Steroid binding to Autotaxin links bile salts and lysophosphatidic acid signalling.
Nat Commun, 7, 2016
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5C2W
 | | Kuenenia stuttgartiensis Hydrazine Synthase Pressurized with 20 bar Xenon | | Descriptor: | CALCIUM ION, CHLORIDE ION, HEME C, ... | | Authors: | Dietl, A, Ferousi, C, Maalcke, W.J, Menzel, A, de Vries, S, Keltjens, J.T, Jetten, M.S.M, Kartal, B, Barends, T.R.M. | | Deposit date: | 2015-06-16 | | Release date: | 2015-10-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The inner workings of the hydrazine synthase multiprotein complex.
Nature, 527, 2015
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2PZ8
 | | NAD+ Synthetase from Bacillus anthracis with AMP-CPP and Mg2+ | | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, GLYCEROL, MAGNESIUM ION, ... | | Authors: | McDonald, H.M, Pruett, P.S, Deivanayagam, C, Protasevich, I.I, Carson, W.M, DeLucas, L.J, Brouillette, W.J, Brouillette, C.G. | | Deposit date: | 2007-05-17 | | Release date: | 2007-07-31 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural adaptation of an interacting non-native C-terminal helical extension revealed in the crystal structure of NAD(+) synthetase from Bacillus anthracis.
Acta Crystallogr.,Sect.D, 63, 2007
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5CJO
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2PMS
 | | Crystal structure of the complex of human lactoferrin N-lobe and lactoferrin-binding domain of pneumococcal surface protein A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ... | | Authors: | Chattopadhyay, D, Senkovich, O, Cook, W.J. | | Deposit date: | 2007-04-23 | | Release date: | 2007-06-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Structure of a Complex of Human Lactoferrin N-lobe with Pneumococcal Surface Protein A Provides Insight into Microbial Defense Mechanism.
J.Mol.Biol., 370, 2007
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2PQ3
 | | N-Terminal Calmodulin Zn-Trapped Intermediate | | Descriptor: | CACODYLATE ION, Calmodulin, ZINC ION | | Authors: | Warren, J.T, Guo, Q, Tang, W.J. | | Deposit date: | 2007-05-01 | | Release date: | 2007-10-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | A 1.3-A structure of zinc-bound N-terminal domain of calmodulin elucidates potential early ion-binding step.
J.Mol.Biol., 374, 2007
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5BWJ
 | | Structural characterization and modeling of the Borrelia burgdorferi hybrid histidine kinase Hk1 periplasmic sensor | | Descriptor: | MAGNESIUM ION, NITRATE ION, Sensory transduction histidine kinase, ... | | Authors: | Bauer, W.J, Luthra, A, Zhu, G, Radolf, J.D, Malkowski, M.G, Caimano, M.J. | | Deposit date: | 2015-06-08 | | Release date: | 2015-07-29 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.054 Å) | | Cite: | Structural characterization and modeling of the Borrelia burgdorferi hybrid histidine kinase Hk1 periplasmic sensor: A system for sensing small molecules associated with tick feeding.
J.Struct.Biol., 192, 2015
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2PZB
 | | NAD+ Synthetase from Bacillus anthracis | | Descriptor: | NH(3)-dependent NAD(+) synthetase, SULFATE ION | | Authors: | McDonald, H.M, Pruett, P.S, Deivanayagam, C, Protasevich, I.I, Carson, W.M, DeLucas, L.J, Brouillette, W.J, Brouillette, C.G. | | Deposit date: | 2007-05-17 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural adaptation of an interacting non-native C-terminal helical extension revealed in the crystal structure of NAD(+) synthetase from Bacillus anthracis.
Acta Crystallogr.,Sect.D, 63, 2007
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2PJF
 | | Solution structure of rhodostomin | | Descriptor: | Rhodostoxin-disintegrin rhodostomin | | Authors: | Chuang, W.J, Chen, Y.C, Chen, C.Y, Chang, Y.T. | | Deposit date: | 2007-04-16 | | Release date: | 2007-05-08 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | Effect of D to E mutation of the RGD motif in rhodostomin on its activity, structure, and dynamics: Importance of the interactions between the D residue and integrin
Proteins, 2009
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2O2M
 | | Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand | | Descriptor: | 4-(4-BENZYL-4-METHOXYPIPERIDIN-1-YL)-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE, Apoptosis regulator Bcl-X | | Authors: | Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W. | | Deposit date: | 2006-11-30 | | Release date: | 2007-02-27 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
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2PJG
 | | Solution structure of rhodostomin D51E mutant | | Descriptor: | Rhodostoxin-disintegrin rhodostomin | | Authors: | Chuang, W.J, Chen, Y.C, Chen, C.Y, Chou, L.J. | | Deposit date: | 2007-04-16 | | Release date: | 2007-05-08 | | Last modified: | 2021-11-10 | | Method: | SOLUTION NMR | | Cite: | Effect of D to E mutation of the RGD motif in rhodostomin on its activity, structure, and dynamics: Importance of the interactions between the D residue and integrin
Proteins, 2009
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2PZA
 | | NAD+ Synthetase from Bacillus anthracis with AMP + PPi and Mg2+ | | Descriptor: | ADENOSINE MONOPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | McDonald, H.M, Pruett, P.S, Deivanayagam, C, Protasevich, I.I, Carson, W.M, DeLucas, L.J, Brouillette, W.J, Brouillette, C.G. | | Deposit date: | 2007-05-17 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural adaptation of an interacting non-native C-terminal helical extension revealed in the crystal structure of NAD(+) synthetase from Bacillus anthracis.
Acta Crystallogr.,Sect.D, 63, 2007
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2MS9
 | | Solution structure of a G-quadruplex | | Descriptor: | DNA (28-MER) | | Authors: | Chung, W.J, Heddi, B, Schmitt, E, Lim, K.W, Mechulam, Y, Phan, A.T. | | Deposit date: | 2014-07-25 | | Release date: | 2015-02-18 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of a left-handed DNA G-quadruplex
Proc.Natl.Acad.Sci.USA, 2015
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2N59
 | | Solution Structure of R. palustris CsgH | | Descriptor: | Putative uncharacterized protein CsgH | | Authors: | Hawthorne, W.J, Taylor, J.D, Escalera-Maurer, A, Lambert, S, Koch, M, Scull, N, Sefer, L, Xu, Y, Matthews, S.J. | | Deposit date: | 2015-07-13 | | Release date: | 2016-05-11 | | Method: | SOLUTION NMR | | Cite: | Electrostatically-guided inhibition of Curli amyloid nucleation by the CsgC-like family of chaperones.
Sci Rep, 6, 2016
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2MGN
 | | Solution structure of a G-quadruplex bound to the bisquinolinium compound Phen-DC3 | | Descriptor: | 5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*GP*AP*AP*GP*G)-3', N2,N9-bis(1-methylquinolin-3-yl)-1,10-phenanthroline-2,9-dicarboxamide | | Authors: | Chung, W.J, Heddi, B, Hamon, F, Teulade-Fichou, M.P, Phan, A.T. | | Deposit date: | 2013-11-01 | | Release date: | 2014-01-22 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of a G-quadruplex Bound to the Bisquinolinium Compound Phen-DC3.
Angew.Chem.Int.Ed.Engl., 53, 2014
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1SMT
 | | SMTB REPRESSOR FROM SYNECHOCOCCUS PCC7942 | | Descriptor: | TRANSCRIPTIONAL REPRESSOR SMTB | | Authors: | Cook, W.J, Hall, L.M. | | Deposit date: | 1997-09-16 | | Release date: | 1997-12-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of the cyanobacterial metallothionein repressor SmtB: a model for metalloregulatory proteins.
J.Mol.Biol., 275, 1998
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3VJB
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3VYO
 | | Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase LdtMt2 N140 truncation mutant (resideus 140-408) | | Descriptor: | Probable conserved lipoprotein LPPS | | Authors: | Li, W.J, Li, D.F, Bi, L.J, Wang, D.C. | | Deposit date: | 2012-09-30 | | Release date: | 2013-06-19 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of L,D-transpeptidase LdtMt2 in complex with meropenem reveals the mechanism of carbapenem against Mycobacterium tuberculosis
Cell Res., 23, 2013
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3VAD
 | | Crystal structure of I170F mutant branched-chain alpha-ketoacid dehydrogenase kinase in complex with 3,6-dichlorobenzo[b]thiophene-2-carboxylic acid | | Descriptor: | 3,6-dichloro-1-benzothiophene-2-carboxylic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ahmed, K, Gui, W.J, Tso, S.C, Chuang, J.L, Wynn, R.M, Chuang, D.T. | | Deposit date: | 2011-12-29 | | Release date: | 2013-01-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.602 Å) | | Cite: | Crystal structure of I170F mutant branched-chain alpha-ketoacid dehydrogenase kinase in complex with 3,6-dichlorobenzo[b]thiophene-2-carboxylic acid
To be Published
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3VJE
 | | Crystal structure of the Y248A mutant of C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus in complex with zaragozic acid A | | Descriptor: | Dehydrosqualene synthase, Zaragozic acid A | | Authors: | Liu, C.I, Jeng, W.Y, Chang, W.J, Wang, A.H.J. | | Deposit date: | 2011-10-14 | | Release date: | 2012-04-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Binding modes of zaragozic acid A to human squalene synthase and staphylococcal dehydrosqualene synthase
J.Biol.Chem., 287, 2012
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3VJD
 | | Crystal structure of the Y248A mutant of C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus | | Descriptor: | Dehydrosqualene synthase, L(+)-TARTARIC ACID | | Authors: | Liu, C.I, Jeng, W.Y, Chang, W.J, Wang, A.H.J. | | Deposit date: | 2011-10-14 | | Release date: | 2012-04-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Binding modes of zaragozic acid A to human squalene synthase and staphylococcal dehydrosqualene synthase
J.Biol.Chem., 287, 2012
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3VYN
 | | Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase LdtMt2 N55 truncation mutant (resideus 55-408) | | Descriptor: | Probable conserved lipoprotein LPPS | | Authors: | Li, W.J, Li, D.F, Bi, L.J, Wang, D.C. | | Deposit date: | 2012-09-30 | | Release date: | 2013-06-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of L,D-transpeptidase LdtMt2 in complex with meropenem reveals the mechanism of carbapenem against Mycobacterium tuberculosis
Cell Res., 23, 2013
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3VJC
 | | Crystal structure of the human squalene synthase in complex with zaragozic acid A | | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, Squalene synthase, ... | | Authors: | Liu, C.I, Jeng, W.Y, Chang, W.J, Ko, T.P, Wang, A.H.J. | | Deposit date: | 2011-10-14 | | Release date: | 2012-04-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Binding modes of zaragozic acid A to human squalene synthase and staphylococcal dehydrosqualene synthase
J.Biol.Chem., 287, 2012
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3VJ9
 | | Crystal structure of the human squalene synthase | | Descriptor: | CALCIUM ION, NICKEL (II) ION, Squalene synthase | | Authors: | Liu, C.I, Jeng, W.Y, Chang, W.J, Wang, A.H.J. | | Deposit date: | 2011-10-14 | | Release date: | 2012-04-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Binding modes of zaragozic acid A to human squalene synthase and staphylococcal dehydrosqualene synthase
J.Biol.Chem., 287, 2012
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