3U1Y
 
 | | Potent Inhibitors of LpxC for the Treatment of Gram-Negative Infections | | Descriptor: | (2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-{4'-[3-(morpholin-4-yl)propoxy]biphenyl-4-yl}butanamide, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION | | Authors: | Brown, M, Abramite, J, Liu, S. | | Deposit date: | 2011-09-30 | | Release date: | 2012-01-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Potent inhibitors of LpxC for the treatment of Gram-negative infections.
J.Med.Chem., 55, 2012
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1ZKZ
 | | Crystal Structure of BMP9 | | Descriptor: | Growth/differentiation factor 2 | | Authors: | Brown, M.A, Zhao, Q, Baker, K.A, Naik, C, Chen, C, Pukac, L, Singh, M, Tsareva, T, Parice, Y, Mahoney, A, Roschke, V, Sanyal, I, Choe, S. | | Deposit date: | 2005-05-04 | | Release date: | 2005-05-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Crystal structure of BMP-9 and functional interactions with pro-region and receptors
J.Biol.Chem., 280, 2005
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4G2C
 | | DyP2 from Amycolatopsis sp. ATCC 39116 | | Descriptor: | ACETATE ION, DyP2, MANGANESE (II) ION, ... | | Authors: | Brown, M.E, Barros, T, Chang, M.C.Y. | | Deposit date: | 2012-07-11 | | Release date: | 2012-10-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Identification and characterization of a multifunctional dye peroxidase from a lignin-reactive bacterium.
Acs Chem.Biol., 7, 2012
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3NYA
 | | Crystal structure of the human beta2 adrenergic receptor in complex with the neutral antagonist alprenolol | | Descriptor: | (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, Beta-2 adrenergic receptor, Lysozyme, ... | | Authors: | Brown, M.A, Wacker, D, Fenalti, G, Katritch, V, Abagyan, R, Cherezov, V, Stevens, R.C, GPCR Network (GPCR) | | Deposit date: | 2010-07-14 | | Release date: | 2010-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.16 Å) | | Cite: | Conserved Binding Mode of Human beta(2) Adrenergic Receptor Inverse Agonists and Antagonist Revealed by X-ray Crystallography
J.Am.Chem.Soc., 132, 2010
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5HL4
 | | Acoustic injectors for drop-on-demand serial femtosecond crystallography | | Descriptor: | COBALT HEXAMMINE(III), FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Roessler, C.G, Agarwal, R, Allaire, M, Alonso-Mori, R, Andi, B, Bachega, J.F.R, Bommer, M, Brewster, A.S, Browne, M.C, Chatterjee, R, Cho, E, Cohen, A.E, Cowan, M, Datwani, S, Davidson, V.L, Defever, J, Eaton, B, Ellson, R, Feng, Y, Ghislain, L.P, Glownia, J.M, Han, G, Hattne, J, Hellmich, J, Heroux, A, Ibrahim, M, Kern, J, Kuczewski, A, Lemke, H.T, Liu, P, Majlof, L, McClintock, W.M, Myers, S, Nelsen, S, Olechno, J, Orville, A.M, Sauter, N.K, Soares, A.S, Soltis, M.S, Song, H, Stearns, R.G, Tran, R, Tsai, Y, Uervirojnangkoorn, M, Wilmot, C.M, Yachandra, V, Yano, J, Yukl, E.T, Zhu, D, Zouni, A. | | Deposit date: | 2016-01-14 | | Release date: | 2016-01-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography.
Structure, 24, 2016
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5HQD
 | | Acoustic injectors for drop-on-demand serial femtosecond crystallography | | Descriptor: | CALCIUM ION, Thermolysin, ZINC ION | | Authors: | Roesser, C.G, Agarwal, R, Allaire, M, Alonso-Mori, R, Andi, B, Bachega, J.F.R, Bommer, M, Brewster, A.S, Browne, M.C, Chatterjee, R, Cho, E, Cohen, A.E, Cowan, M, Datwani, S, Davidson, V.L, Defever, J, Eaton, B, Ellson, R, Feng, Y, Ghislain, L.P, Glownia, J.M, Han, G, Hattne, J, Hellmich, J, Heroux, A, Ibrahim, M, Kern, J, Kuczewski, A, Lemke, H.T, Liu, P, Majlof, L, McClintock, W.M, Myers, S, Nelsen, S, Olechno, J, Orville, A.M, Sauter, N.K, Soares, A.S, Soltis, M.S, Song, H, Stearns, R.G, Tran, R, Tsai, Y, Uervirojnangkoorn, M, Wilmot, C.M, Yachandra, V, Yano, J, Yukl, E.T, Zhu, D, Zouni, A. | | Deposit date: | 2016-01-21 | | Release date: | 2016-02-10 | | Last modified: | 2022-03-30 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography.
Structure, 24, 2016
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6YBA
 | | HAdV-F41 Capsid | | Descriptor: | Hexon protein, Hexon-interlacing protein, Penton protein, ... | | Authors: | Perez Illana, M, Martinez, M, Mangroo, C, Brown, M, Marabini, R, San Martin, C. | | Deposit date: | 2020-03-16 | | Release date: | 2021-03-10 | | Last modified: | 2021-03-17 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Cryo-EM structure of enteric adenovirus HAdV-F41 highlights structural variations among human adenoviruses.
Sci Adv, 7, 2021
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5A2F
 | | Two membrane distal IgSF domains of CD166 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CD166 ANTIGEN | | Authors: | Chappell, P.E, Johnson, S, Lea, S.M, Brown, M.H. | | Deposit date: | 2015-05-18 | | Release date: | 2015-07-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structures of Cd6 and its Ligand Cd166 Give Insight Into Their Interaction.
Structure, 23, 2015
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1DL7
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5A2E
 | | Extracellular SRCR domains of human CD6 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, T-CELL DIFFERENTIATION ANTIGEN CD6 | | Authors: | Chappell, P.E, Johnson, S, Lea, S.M, Brown, M.H. | | Deposit date: | 2015-05-18 | | Release date: | 2015-07-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structures of Cd6 and its Ligand Cd166 Give Insight Into Their Interaction.
Structure, 23, 2015
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1Y6B
 | | Crystal structure of VEGFR2 in complex with a 2-anilino-5-aryl-oxazole inhibitor | | Descriptor: | N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE, Vascular endothelial growth factor receptor 2 | | Authors: | Harris, P.A, Cheung, M, Hunter, R.N, Brown, M.L, Veal, J.M, Nolte, R.T, Wang, L, Liu, W, Crosby, R.M, Johnson, J.H, Epperly, A.H, Kumar, R, Luttrell, D.K, Stafford, J.A. | | Deposit date: | 2004-12-05 | | Release date: | 2005-06-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery and evaluation of 2-anilino-5-aryloxazoles as a novel class of VEGFR2 kinase inhibitors.
J.Med.Chem., 48, 2005
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1Y6A
 | | Crystal structure of VEGFR2 in complex with a 2-anilino-5-aryl-oxazole inhibitor | | Descriptor: | N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-AMINE, Vascular endothelial growth factor receptor 2 | | Authors: | Harris, P.A, Cheung, M, Hunter, R.N, Brown, M.L, Veal, J.M, Nolte, R.T, Wang, L, Liu, W, Crosby, R.M, Johnson, J.H, Epperly, A.H, Kumar, R, Luttrell, D.K, Stafford, J.A. | | Deposit date: | 2004-12-05 | | Release date: | 2005-06-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery and evaluation of 2-anilino-5-aryloxazoles as a novel class of VEGFR2 kinase inhibitors.
J.Med.Chem., 48, 2005
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1MS6
 | | Dipeptide Nitrile Inhibitor Bound to Cathepsin S. | | Descriptor: | Cathepsin S, MORPHOLINE-4-CARBOXYLIC ACID [1S-(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE | | Authors: | Ward, Y.D, Thomson, D.S, Frye, L.L, Cywin, C.L, Morwick, T, Emmanuel, M.J, Zindell, R, McNeil, D, Bekkali, Y, Giradot, M, Hrapchak, M, DeTuri, M, Crane, K, White, D, Pav, S, Wang, Y, Hao, M.H, Grygon, C.A, Labadia, M.E, Freeman, D.M, Davidson, W, Hopkins, J.L, Brown, M.L, Spero, D.M. | | Deposit date: | 2002-09-19 | | Release date: | 2003-04-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design and synthesis of dipeptide nitriles as reversible and potent Cathepsin S inhibitors
J.Med.Chem., 45, 2002
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1JT0
 | | Crystal structure of a cooperative QacR-DNA complex | | Descriptor: | HYPOTHETICAL TRANSCRIPTIONAL REGULATOR IN QACA 5'REGION, QACA operator, SULFATE ION | | Authors: | Schumacher, M.A, Miller, M.C, Grkovic, S, Brown, M.H, Skurray, R.A, Brennan, R.G. | | Deposit date: | 2001-08-20 | | Release date: | 2002-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis for cooperative DNA binding by two dimers of the multidrug-binding protein QacR.
EMBO J., 21, 2002
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1JTX
 | | Crystal structure of the multidrug binding transcriptional regulator QacR bound to crystal violet | | Descriptor: | CRYSTAL VIOLET, HYPOTHETICAL TRANSCRIPTIONAL REGULATOR IN QACA 5'REGION, SULFATE ION | | Authors: | Schumacher, M.A, Miller, M.C, Grkovic, S, Brown, M.H, Skurray, R.A, Brennan, R.G. | | Deposit date: | 2001-08-22 | | Release date: | 2001-12-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural mechanisms of QacR induction and multidrug recognition.
Science, 294, 2001
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1JUP
 | | Crystal structure of the multidrug binding transcriptional repressor QacR bound to malachite green | | Descriptor: | HYPOTHETICAL TRANSCRIPTIONAL REGULATOR IN QACA 5'REGION, MALACHITE GREEN, SULFATE ION | | Authors: | Schumacher, M.A, Miller, M.C, Grkovic, S, Brown, M.H, Skurray, R.A, Brennan, R.G. | | Deposit date: | 2001-08-24 | | Release date: | 2001-12-12 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structural mechanisms of QacR induction and multidrug recognition.
Science, 294, 2001
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1JUS
 | | Crystal structure of the multidrug binding transcriptional repressor QacR bound to rhodamine 6G | | Descriptor: | HYPOTHETICAL TRANSCRIPTIONAL REGULATOR IN QACA 5'REGION, RHODAMINE 6G, SULFATE ION | | Authors: | Schumacher, M.A, Miller, M.C, Grkovic, S, Brown, M.H, Skurray, R.A, Brennan, R.G. | | Deposit date: | 2001-08-27 | | Release date: | 2001-12-12 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Structural mechanisms of QacR induction and multidrug recognition.
Science, 294, 2001
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1JTY
 | | Crystal structure of the multidrug binding transcriptional regulator QacR bound to ethidium | | Descriptor: | ETHIDIUM, HYPOTHETICAL TRANSCRIPTIONAL REGULATOR IN QACA 5'REGION, SULFATE ION | | Authors: | Schumacher, M.A, Miller, M.C, Grkovic, S, Brown, M.H, Skurray, R.A, Brennan, R.G. | | Deposit date: | 2001-08-22 | | Release date: | 2001-12-12 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Structural mechanisms of QacR induction and multidrug recognition.
Science, 294, 2001
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1JUM
 | | Crystal structure of the multidrug binding transcriptional repressor QacR bound to the natural drug berberine | | Descriptor: | BERBERINE, HYPOTHETICAL TRANSCRIPTIONAL REGULATOR IN QACA 5'REGION, SULFATE ION | | Authors: | Schumacher, M.A, Miller, M.C, Grkovic, S, Brown, M.H, Skurray, R.A, Brennan, R.G. | | Deposit date: | 2001-08-24 | | Release date: | 2001-12-12 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Structural mechanisms of QacR induction and multidrug recognition.
Science, 294, 2001
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1JT6
 | | Crystal structure of the multidrug binding protein QacR bound to dequalinium | | Descriptor: | DEQUALINIUM, Hypothetical transcriptional regulator IN QACA 5'region, SULFATE ION | | Authors: | Schumacher, M.A, Miller, M.C, Grkovic, S, Brown, M.H, Skurray, R.A, Brennan, R.G. | | Deposit date: | 2001-08-20 | | Release date: | 2001-12-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Structural mechanisms of QacR induction and multidrug recognition.
Science, 294, 2001
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5GAQ
 | | Cryo-EM structure of the Lysenin Pore | | Descriptor: | Lysenin | | Authors: | Savva, C.G, Bokori-Brown, M, Martin, T.G, Titball, R.W, Naylor, C.E, Basak, A.K. | | Deposit date: | 2016-01-05 | | Release date: | 2016-04-06 | | Last modified: | 2019-10-23 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | Cryo-EM structure of lysenin pore elucidates membrane insertion by an aerolysin family protein
Nat Commun, 7, 2016
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1VZO
 | | The structure of the N-terminal kinase domain of MSK1 reveals a novel autoinhibitory conformation for a dual kinase protein | | Descriptor: | BETA-MERCAPTOETHANOL, RIBOSOMAL PROTEIN S6 KINASE ALPHA 5, SULFATE ION | | Authors: | Smith, K.J, Carter, P.S, Bridges, A, Horrocks, P, Lewis, C, Pettman, G, Clarke, A, Brown, M, Hughes, J, Wilkinson, M, Bax, B, Reith, A. | | Deposit date: | 2004-05-21 | | Release date: | 2004-06-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Structure of Msk1 Reveals a Novel Autoinhibitory Conformation for a Dual Kinase Protein
Structure, 12, 2004
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1GNG
 | | Glycogen synthase kinase-3 beta (GSK3) complex with FRATtide peptide | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FRATTIDE, GLYCOGEN SYNTHASE KINASE-3 BETA, ... | | Authors: | Bax, B, Carter, P.S, Lewis, C, Guy, A.R, Bridges, A, Tanner, R, Pettman, G, Mannix, C, Culbert, A.A, Brown, M.J.B, Smith, D.G, Reith, A.D. | | Deposit date: | 2001-10-04 | | Release date: | 2002-10-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The Structure of Phosphorylated Gsk-3Beta Complexed with a Peptide, Frattide, that Inhibits Beta-Catenin Phosphorylation
Structure, 9, 2001
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2R9M
 | | Cathepsin S complexed with Compound 15 | | Descriptor: | Cathepsin S, N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | | Authors: | Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M. | | Deposit date: | 2007-09-13 | | Release date: | 2007-12-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation
To be Published
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2R9O
 | | Cathepsin S complexed with Compound 8 | | Descriptor: | Cathepsin S, N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | | Authors: | Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M. | | Deposit date: | 2007-09-13 | | Release date: | 2007-12-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation
to be published
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