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
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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
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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
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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
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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
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1F5O
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1F5P
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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