2NSW
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2O21
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![BU of 2o21 by Molmil](/molmil-images/mine/2o21) | Solution structure of the anti-apoptotic protein Bcl-2 in complex with an acyl-sulfonamide-based ligand | Descriptor: | 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE, Apoptosis regulator Bcl-2 | 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: | 2006-11-29 | 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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2O2F
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![BU of 2o2f by Molmil](/molmil-images/mine/2o2f) | Solution structure of the anti-apoptotic protein Bcl-2 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-2 | 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: | 2006-11-29 | 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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2O1Y
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![BU of 2o1y by Molmil](/molmil-images/mine/2o1y) | Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand | Descriptor: | 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE, 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: | 2006-11-29 | 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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2PZ8
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![BU of 2pz8 by Molmil](/molmil-images/mine/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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2PMS
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![BU of 2pms by Molmil](/molmil-images/mine/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
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![BU of 2pq3 by Molmil](/molmil-images/mine/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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2PZB
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![BU of 2pzb by Molmil](/molmil-images/mine/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
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![BU of 2pjf by Molmil](/molmil-images/mine/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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2PJG
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![BU of 2pjg by Molmil](/molmil-images/mine/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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2P7V
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![BU of 2p7v by Molmil](/molmil-images/mine/2p7v) | Crystal structure of the Escherichia coli regulator of sigma 70, Rsd, in complex with sigma 70 domain 4 | Descriptor: | MAGNESIUM ION, RNA polymerase sigma factor rpoD, Regulator of sigma D | Authors: | Patikoglou, G.A, Westblade, L.F, Campbell, E.A, Lamour, V, Lane, W.J, Darst, S.A. | Deposit date: | 2007-03-20 | Release date: | 2007-08-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the Escherichia coli regulator of sigma70, Rsd, in complex with sigma70 domain 4. J.Mol.Biol., 372, 2007
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2PZA
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![BU of 2pza by Molmil](/molmil-images/mine/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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2N59
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![BU of 2n59 by Molmil](/molmil-images/mine/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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6D69
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3V4X
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![BU of 3v4x by Molmil](/molmil-images/mine/3v4x) | The Biochemical and Structural Basis for Inhibition of Enterococcus faecalis HMG-CoA Synthase, mvaS, by Hymeglusin | Descriptor: | (7R,12R,13R)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid, HMG-CoA synthase | Authors: | Skaff, D.A, Ramyar, K.X, McWhorter, W.J, Geisbrecht, B.V, Miziorko, H.M. | Deposit date: | 2011-12-15 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.952 Å) | Cite: | Biochemical and structural basis for inhibition of Enterococcus faecalis hydroxymethylglutaryl-CoA synthase, mvaS, by hymeglusin. Biochemistry, 51, 2012
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3V4N
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![BU of 3v4n by Molmil](/molmil-images/mine/3v4n) | The Biochemical and Structural Basis for Inhibition of Enterococcus faecalis HMG-CoA Synthatse, mvaS, by Hymeglusin | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HMG-CoA synthase | Authors: | Skaff, D.A, Ramyar, K.X, McWhorter, W.J, Geisbrecht, B.V, Miziorko, H.M. | Deposit date: | 2011-12-15 | Release date: | 2012-04-25 | Last modified: | 2014-09-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Biochemical and structural basis for inhibition of Enterococcus faecalis hydroxymethylglutaryl-CoA synthase, mvaS, by hymeglusin. Biochemistry, 51, 2012
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3VJA
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![BU of 3vja by Molmil](/molmil-images/mine/3vja) | Crystal structure of the human squalene synthase | Descriptor: | 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 (1.76 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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3VJB
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4FXW
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![BU of 4fxw by Molmil](/molmil-images/mine/4fxw) | Structure of phosphorylated SF1 complex with U2AF65-UHM domain | Descriptor: | SULFATE ION, Splicing factor 1, Splicing factor U2AF 65 kDa subunit | Authors: | Wang, W, Bauer, W.J, Wedekind, J.E, Kielkopf, C.L. | Deposit date: | 2012-07-03 | Release date: | 2013-01-16 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structure of Phosphorylated SF1 Bound to U2AF(65) in an Essential Splicing Factor Complex. Structure, 21, 2013
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3VYO
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![BU of 3vyo by Molmil](/molmil-images/mine/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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3VJE
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![BU of 3vje by Molmil](/molmil-images/mine/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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3VAD
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![BU of 3vad by Molmil](/molmil-images/mine/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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3VJD
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![BU of 3vjd by Molmil](/molmil-images/mine/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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4HST
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![BU of 4hst by Molmil](/molmil-images/mine/4hst) | Crystal structure of a double mutant of a class III engineered cephalosporin acylase | Descriptor: | 5,5-dihydroxy-L-norvaline, glutaryl-7-aminocephalosporanic acid acylase alpha chain, glutaryl-7-aminocephalosporanic acid acylase beta chain | Authors: | Vrielink, A, Golden, E, Patterson, R, Tie, W.J, Anandan, A, Flematti, G, Molla, G, Rosini, E, Pollegioni, L. | Deposit date: | 2012-10-30 | Release date: | 2013-02-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.571 Å) | Cite: | Structure of a class III engineered cephalosporin acylase: comparisons with class I acylase and implications for differences in substrate specificity and catalytic activity. Biochem.J., 451, 2013
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3VJC
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![BU of 3vjc by Molmil](/molmil-images/mine/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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