5V0V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v0v by Molmil](/molmil-images/mine/5v0v) | Crystal structure of Equine Serum Albumin complex with etodolac | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, Serum albumin, ... | Authors: | Czub, M.P, Shabalin, I.G, Handing, K.B, Venkataramany, B.S, Steen, E.H, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-28 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma. J.Med.Chem., 2020
|
|
4RYQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ryq by Molmil](/molmil-images/mine/4ryq) | Crystal structure of BcTSPO, type 2 at 1.7 Angstrom | Descriptor: | Integral membrane protein, [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate | Authors: | Guo, Y, Liu, Q, Hendrickson, W.A, New York Consortium on Membrane Protein Structure (NYCOMPS) | Deposit date: | 2014-12-16 | Release date: | 2015-01-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Protein structure. Structure and activity of tryptophan-rich TSPO proteins. Science, 347, 2015
|
|
4MUT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mut by Molmil](/molmil-images/mine/4mut) | Crystal structure of vancomycin resistance D,D-dipeptidase/D,D-pentapeptidase VanXYc D59S mutant in complex with D-Alanine | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, D,D-dipeptidase/D,D-carboxypeptidase, ... | Authors: | Stogios, P.J, Evdokimova, E, Meziane-Cherif, D, Di Leo, R, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-09-23 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural basis for the evolution of vancomycin resistance D,D-peptidases. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
4MUS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mus by Molmil](/molmil-images/mine/4mus) | Crystal structure of vancomycin resistance D,D-dipeptidase/D,D-pentapeptidase VanXYc D59S mutant in complex with D-Ala-D-Ala phosphinate analog | Descriptor: | (2R)-3-[(R)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid, (2R)-3-[(R)-[(1S)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid, CHLORIDE ION, ... | Authors: | Stogios, P.J, Evdokimova, E, Meziane-Cherif, D, Di Leo, R, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-09-23 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.675 Å) | Cite: | Structural basis for the evolution of vancomycin resistance D,D-peptidases. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
4RYM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rym by Molmil](/molmil-images/mine/4rym) | |
4TKR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tkr by Molmil](/molmil-images/mine/4tkr) | Native-SAD phasing for ThiT from Listeria monocytogenes serovar. | Descriptor: | 2-O-octyl-beta-D-glucopyranose, THIAMINE DIPHOSPHATE, Thiamine transporter thia | Authors: | Guo, Y, Liu, Q, Hendrickson, W.A, New York Consortium on Membrane Protein Structure (NYCOMPS) | Deposit date: | 2014-05-27 | Release date: | 2014-06-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.0023 Å) | Cite: | Multi-crystal native SAD analysis at 6 keV. Acta Crystallogr.,Sect.D, 70, 2014
|
|
4RYJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ryj by Molmil](/molmil-images/mine/4ryj) | |
4RYO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ryo by Molmil](/molmil-images/mine/4ryo) | Crystal structure of BcTSPO type II high resolution monomer | Descriptor: | DIMETHYL SULFOXIDE, Integral membrane protein, [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate | Authors: | Guo, Y, Liu, Q, Hendrickson, W.A, New York Consortium on Membrane Protein Structure (NYCOMPS) | Deposit date: | 2014-12-15 | Release date: | 2015-04-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Protein structure. Structure and activity of tryptophan-rich TSPO proteins. Science, 347, 2015
|
|
4MUQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4muq by Molmil](/molmil-images/mine/4muq) | Crystal Structure of Vancomycin Resistance D,D-dipeptidase VanXYg in complex with D-Ala-D-Ala phosphinate analog | Descriptor: | (2R)-3-[(R)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid, (2R)-3-[(R)-[(1S)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid, 1,2-ETHANEDIOL, ... | Authors: | Stogios, P.J, Evdokimova, E, Meziane-Cherif, D, Di Leo, R, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-09-23 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.364 Å) | Cite: | Structural basis for the evolution of vancomycin resistance D,D-peptidases. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
4RYR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ryr by Molmil](/molmil-images/mine/4ryr) | Crystal structure of BcTSPO, type 2 at 1.7 Angstrom with DMSO | Descriptor: | DIMETHYL SULFOXIDE, Integral membrane protein, [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate | Authors: | Guo, Y, Liu, Q, Hendrickson, W.A, New York Consortium on Membrane Protein Structure (NYCOMPS) | Deposit date: | 2014-12-16 | Release date: | 2015-01-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.704 Å) | Cite: | Protein structure. Structure and activity of tryptophan-rich TSPO proteins. Science, 347, 2015
|
|
4MUR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mur by Molmil](/molmil-images/mine/4mur) | Crystal structure of vancomycin resistance D,D-dipeptidase/D,D-pentapeptidase VanXYc D59S mutant | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, D,D-dipeptidase/D,D-carboxypeptidase, ... | Authors: | Stogios, P.J, Evdokimova, E, Meziane-Cherif, D, Di Leo, R, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-09-23 | Release date: | 2013-10-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural basis for the evolution of vancomycin resistance D,D-peptidases. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
4EEI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4eei by Molmil](/molmil-images/mine/4eei) | Crystal Structure of Adenylosuccinate Lyase from Francisella tularensis Complexed with AMP and Succinate | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, Adenylosuccinate lyase, ... | Authors: | Maltseva, N, Kim, Y, Shatsman, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-03-28 | Release date: | 2012-04-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.921 Å) | Cite: | Crystal Structure of Adenylosuccinate Lyase from Francisella tularensis Complexed with AMP and Succinate To be Published
|
|
4RYN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ryn by Molmil](/molmil-images/mine/4ryn) | Crystal structure of BcTSPO, type1 monomer | Descriptor: | CACODYLATE ION, DODECYL-ALPHA-D-MALTOSIDE, Integral membrane protein, ... | Authors: | Guo, Y, Liu, Q, Hendrickson, W.A, New York Consortium on Membrane Protein Structure (NYCOMPS) | Deposit date: | 2014-12-15 | Release date: | 2015-02-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Protein structure. Structure and activity of tryptophan-rich TSPO proteins. Science, 347, 2015
|
|
2BCT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bct by Molmil](/molmil-images/mine/2bct) | |
5F4R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5f4r by Molmil](/molmil-images/mine/5f4r) | HIV-1 gp120 complex with BNW-IV-147 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C, FORMIC ACID, ... | Authors: | Liang, S, Hendrickson, W.A. | Deposit date: | 2015-12-03 | Release date: | 2016-03-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition. ACS Med Chem Lett, 7, 2016
|
|
4GKH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gkh by Molmil](/molmil-images/mine/4gkh) | Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor 1-NA-PP1 | Descriptor: | 1-tert-butyl-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, ... | Authors: | Stogios, P.J, Evdokimova, E, Wawrzak, Z, Minasov, G, Egorova, O, Di Leo, R, Shakya, T, Spanogiannopoulos, P, Todorovic, N, Capretta, A, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-08-11 | Release date: | 2012-09-05 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.863 Å) | Cite: | Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance. Biochem.J., 454, 2013
|
|
4BBX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bbx by Molmil](/molmil-images/mine/4bbx) | Discovery of a potent, selective and orally active PDE10A inhibitor for the treatment of schizophrenia | Descriptor: | 4-[3-[1-[(2S)-2-methoxypropyl]pyrazol-4-yl]-2-methyl-imidazo[1,2-a]pyrazin-8-yl]morpholine, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ... | Authors: | Bartolome-Nebreda, J.M, Conde-Ceide, S, Delgado, F, Martin, M.L, Martinez-Viturro, C.M, Pastor, J, Tong, H.M, Iturrino, L, Macdonald, G.J, Sanderson, W, Megens, A, Langlois, X, Somers, M, Vanhoof, G. | Deposit date: | 2012-09-28 | Release date: | 2013-10-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of a Potent, Selective and Orally Active Pde10A Inhibitor for the Potential Treatment of Schizophrenia. J.Med.Chem., 57, 2014
|
|
5F4P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5f4p by Molmil](/molmil-images/mine/5f4p) | HIV-1 gp120 complex with BNM-III-170 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C, ~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-5-(methylaminomethyl)-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide | Authors: | Liang, S, Hendrickson, W.A. | Deposit date: | 2015-12-03 | Release date: | 2016-03-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition. Acs Med.Chem.Lett., 7, 2016
|
|
5F4L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5f4l by Molmil](/molmil-images/mine/5f4l) | HIV-1 gp120 complex with JP-III-048 | Descriptor: | ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C, ~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-6-(methylaminomethyl)-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide | Authors: | Liang, S, Hendrickson, W.A. | Deposit date: | 2015-12-03 | Release date: | 2016-03-30 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition. Acs Med.Chem.Lett., 7, 2016
|
|
4GKI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gki by Molmil](/molmil-images/mine/4gki) | Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor 1-NM-PP1 | Descriptor: | 1-tert-butyl-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, ... | Authors: | Stogios, P.J, Evdokimova, E, Wawrzak, Z, Minasov, G, Egorova, O, Di Leo, R, Shakya, T, Spanogiannopoulos, P, Todorovic, N, Capretta, A, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-08-11 | Release date: | 2012-09-05 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance. Biochem.J., 454, 2013
|
|
5U08
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5u08 by Molmil](/molmil-images/mine/5u08) | Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic sample in complex with sisomicin | Descriptor: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, ACETATE ION, CALCIUM ION, ... | Authors: | Xu, Z, Skarina, T, Wawrzak, Z, Stogios, P.J, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-11-23 | Release date: | 2017-02-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Structural and Functional Survey of Environmental Aminoglycoside Acetyltransferases Reveals Functionality of Resistance Enzymes. ACS Infect Dis, 3, 2017
|
|
5U1H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5u1h by Molmil](/molmil-images/mine/5u1h) | Crystal structure of the C-terminal peptidoglycan binding domain of OprF (PA1777) from Pseudomonas aeruginosa | Descriptor: | (2R,6S)-2-amino-6-(carboxyamino)-7-{[(1R)-1-carboxyethyl]amino}-7-oxoheptanoic acid, ACETATE ION, CHLORIDE ION, ... | Authors: | Watanabe, N, Stogios, P.J, Skarina, T, Wawrzak, Z, Di Leo, R, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-11-28 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of the C-terminal peptidoglycan binding domain of OprF (PA1777) from Pseudomonas aeruginosa To be published
|
|
4FEV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fev by Molmil](/molmil-images/mine/4fev) | Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor pyrazolopyrimidine PP1 | Descriptor: | 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, ... | Authors: | Stogios, P.J, Evdokimova, E, Wawrzak, Z, Minasov, G, Egorova, O, Di Leo, R, Shakya, T, Spanogiannopoulos, P, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-05-30 | Release date: | 2012-06-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance. Biochem.J., 454, 2013
|
|
4FEW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4few by Molmil](/molmil-images/mine/4few) | Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor pyrazolopyrimidine PP2 | Descriptor: | 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, ... | Authors: | Stogios, P.J, Evdokimova, E, Wawrzak, Z, Minasov, G, Egorova, O, Di Leo, R, Shakya, T, Spanogiannopoulos, P, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-05-30 | Release date: | 2012-06-20 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance. Biochem.J., 454, 2013
|
|
4M4W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4m4w by Molmil](/molmil-images/mine/4m4w) | |