3G4Y
| Ligand migration and cavities within scapharca dimeric hemoglobin: wild type with co bound to heme and chloromethyl benzene bound to the XE4 cavity | Descriptor: | (chloromethyl)benzene, CARBON MONOXIDE, GLOBIN-1, ... | Authors: | Knapp, J.E, Pahl, R, Cohen, J, Nichols, J.C, Schulten, K, Gibson, Q.H, Srajer, V, Royer Jr, W.E. | Deposit date: | 2009-02-04 | Release date: | 2009-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Ligand migration and cavities within Scapharca Dimeric HbI: studies by time-resolved crystallo-graphy, Xe binding, and computational analysis. Structure, 17, 2009
|
|
3G53
| Ligand migration and cavities within scapharca dimeric hemoglobin: wild type with co bound to heme and chloropropyl benzene bound to the XE4 cavity | Descriptor: | (3-chloropropyl)benzene, CARBON MONOXIDE, Globin-1, ... | Authors: | Knapp, J.E, Pahl, R, Cohen, J, Nichols, J.C, Schulten, K, Gibson, Q.H, Srajer, V, Royer Jr, W.E. | Deposit date: | 2009-02-04 | Release date: | 2009-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Ligand migration and cavities within Scapharca Dimeric HbI: studies by time-resolved crystallo-graphy, Xe binding, and computational analysis. Structure, 17, 2009
|
|
3G4V
| Ligand migration and cavities within scapharca dimeric hemoglobin: wild type with co bound to heme and chloropentane bound to the XE4 cavity | Descriptor: | 1-chloropentane, CARBON MONOXIDE, GLOBIN-1, ... | Authors: | Knapp, J.E, Pahl, R, Cohen, J, Nichols, J.C, Schulten, K, Gibson, Q.H, Srajer, V, Royer Jr, W.E. | Deposit date: | 2009-02-04 | Release date: | 2009-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Ligand migration and cavities within Scapharca Dimeric HbI: studies by time-resolved crystallo-graphy, Xe binding, and computational analysis. Structure, 17, 2009
|
|
3G52
| Ligand migration and cavities within scapharca dimeric hemoglobin: wild type with co bound to heme and chloroethyl benzene bound to the XE4 cavity | Descriptor: | (2-chloroethyl)benzene, CARBON MONOXIDE, GLOBIN-1, ... | Authors: | Knapp, J.E, Pahl, R, Cohen, J, Nichols, J.C, Schulten, K, Gibson, Q.H, Srajer, V, Royer Jr, W.E. | Deposit date: | 2009-02-04 | Release date: | 2009-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Ligand migration and cavities within Scapharca Dimeric HbI: studies by time-resolved crystallo-graphy, Xe binding, and computational analysis. Structure, 17, 2009
|
|
3G4R
| Ligand migration and cavities within scapharca dimeric hemoglobin: wild type with co bound to HEME and dichloroethane bound to the XE4 cavity | Descriptor: | 1,2-DICHLOROETHANE, CARBON MONOXIDE, Globin-1, ... | Authors: | Knapp, J.E, Pahl, R, Cohen, J, Nichols, J.C, Schulten, K, Gibson, Q.H, Srajer, V, Royer Jr, W.E. | Deposit date: | 2009-02-04 | Release date: | 2009-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Ligand migration and cavities within Scapharca Dimeric HbI: studies by time-resolved crystallo-graphy, Xe binding, and computational analysis. Structure, 17, 2009
|
|
1F5O
| |
1F5P
| |
6ZOB
| 3-Formylrifamycin SV binding to the access pocket of AcrB L protomer | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate, 1,2-ETHANEDIOL, ... | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | Deposit date: | 2020-07-07 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
|
|
6ZOF
| Fusidic acid binding to the TM7/TM8 groove of AcrB-F380A T protomer | Descriptor: | DARPIN, DECANE, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, ... | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | Deposit date: | 2020-07-07 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
|
|
6ZOG
| Minocycline binding to the deep binding pocket of AcrB-I38F_I671T | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, 1,2-ETHANEDIOL, ... | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | Deposit date: | 2020-07-07 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
|
|
6ZO5
| Fusidic acid binding to the TM1/TM2 groove of AcrB-G619P_G621P | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, ... | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | Deposit date: | 2020-07-07 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
|
|
6ZOE
| AcrB-F563A symmetric T protomer | Descriptor: | 1,2-ETHANEDIOL, DARPIN, DECANE, ... | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | Deposit date: | 2020-07-07 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
|
|
6ZO6
| Minocycline binding to the deep binding pocket of AcrB-G619P | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, ... | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | Deposit date: | 2020-07-07 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
|
|
6ZO8
| Minocycline binding to the deep binding pocket of AcrB-G621P | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, ... | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | Deposit date: | 2020-07-07 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
|
|
6ZOA
| Partially induced AcrB T protomer and DDM binding to the TM8/PC2 pathway of AcrB L2 protomer | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DARPIN, ... | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | Deposit date: | 2020-07-07 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
|
|
6ZO9
| Binding of two rifabutins to the access pocket of AcrB-G621P T protomer | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | Deposit date: | 2020-07-07 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
|
|
6ZOC
| Erythromycin binding to the access pocket of AcrB-G616P L protomer and 3-formylrifamycin SV binding to the access pocket of AcrB-G616P T protomer | Descriptor: | (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate, 1,2-ETHANEDIOL, DARPIN, ... | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | Deposit date: | 2020-07-07 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
|
|
6ZO7
| 3-Formylrifamycin SV binding to the access pocket of AcrB-G619P L and T protomer | Descriptor: | (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | Deposit date: | 2020-07-07 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
|
|
6ZOH
| 3-Formylrifamycin SV binding to the access pocket of AcrB-G619P_G621P L and T protomers | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate, ... | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | Deposit date: | 2020-07-07 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
|
|
1GND
| GUANINE NUCLEOTIDE DISSOCIATION INHIBITOR, ALPHA-ISOFORM | Descriptor: | GUANINE NUCLEOTIDE DISSOCIATION INHIBITOR | Authors: | Schalk, I, Zeng, K, Wu, S.-K, Stura, E.A, Metteson, J, Huang, M, Tandon, A, Wilson, I.A, Balch, W.E. | Deposit date: | 1996-07-10 | Release date: | 1997-02-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structure and mutational analysis of Rab GDP-dissociation inhibitor. Nature, 381, 1996
|
|
7AKK
| Structure of a complement factor-receptor complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3 beta chain, Complement C3b alpha' chain, ... | Authors: | Fernandez, F.J, Santos-Lopez, J, Martinez-Barricarte, R, Querol-Garcia, J, Navas-Yuste, S, Savko, M, Shepard, W.E, Rodriguez de Cordoba, S, Vega, M.C. | Deposit date: | 2020-10-01 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.395 Å) | Cite: | The crystal structure of iC3b-CR3 alpha I reveals a modular recognition of the main opsonin iC3b by the CR3 integrin receptor Nat Commun, 13, 2022
|
|
1INN
| CRYSTAL STRUCTURE OF D. RADIODURANS LUXS, P21 | Descriptor: | AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, METHIONINE, ZINC ION | Authors: | Lewis, H.A, Furlong, E.B, Bergseid, M.G, Sanderson, W.E, Buchanan, S.G. | Deposit date: | 2001-05-14 | Release date: | 2001-06-08 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A structural genomics approach to the study of quorum sensing: crystal structures of three LuxS orthologs. Structure, 9, 2001
|
|
1J6X
| CRYSTAL STRUCTURE OF HELICOBACTER PYLORI LUXS | Descriptor: | AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, METHIONINE, ZINC ION | Authors: | Lewis, H.A, Furlong, E.B, Bergseid, M.G, Sanderson, W.E, Buchanan, S.G. | Deposit date: | 2001-05-14 | Release date: | 2001-06-08 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | A structural genomics approach to the study of quorum sensing: crystal structures of three LuxS orthologs. Structure, 9, 2001
|
|
1J6V
| CRYSTAL STRUCTURE OF D. RADIODURANS LUXS, C2 | Descriptor: | AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, ZINC ION | Authors: | Lewis, H.A, Furlong, E.B, Bergseid, M.G, Sanderson, W.E, Buchanan, S.G. | Deposit date: | 2001-05-14 | Release date: | 2001-06-08 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A structural genomics approach to the study of quorum sensing: crystal structures of three LuxS orthologs. Structure, 9, 2001
|
|
1J6W
| CRYSTAL STRUCTURE OF HAEMOPHILUS INFLUENZAE LUXS | Descriptor: | AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, METHIONINE, ZINC ION | Authors: | Lewis, H.A, Furlong, E.B, Bergseid, M.G, Sanderson, W.E, Buchanan, S.G. | Deposit date: | 2001-05-14 | Release date: | 2001-06-08 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A structural genomics approach to the study of quorum sensing: crystal structures of three LuxS orthologs. Structure, 9, 2001
|
|