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3Q6G
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BU of 3q6g by Molmil
Crystal structure of Fab of rhesus mAb 2.5B specific for quaternary neutralizing epitope of HIV-1 gp120
Descriptor: Heavy chain of Fab of rhesus mAb 2.5B, Light chain of Fab of rhesus mAb 2.5B
Authors:Spurrier, B, Sampson, J, Totrov, M, Li, H, O'Neal, T, William, C, Robinson, J, Gorny, M.K, Zolla-Pazner, S, Kong, X.P.
Deposit date:2010-12-31
Release date:2011-05-25
Last modified:2013-03-20
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Structural Analysis of Human and Macaque mAbs 2909 and 2.5B: Implications for the Configuration of the Quaternary Neutralizing Epitope of HIV-1 gp120.
Structure, 19, 2011
3Q6F
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BU of 3q6f by Molmil
Crystal structure of Fab of human mAb 2909 specific for quaternary neutralizing epitope of HIV-1 gp120
Descriptor: DI(HYDROXYETHYL)ETHER, Heavy chain of Fab of human mAb 2909, Light chain of Fab of human mAb 2909
Authors:Spurrier, B, Sampson, J, Totrov, M, Li, H, O'Neal, T, William, C, Robinson, J, Gorny, M.K, Zolla-Pazner, S, Kong, X.P.
Deposit date:2010-12-31
Release date:2011-05-25
Last modified:2011-10-12
Method:X-RAY DIFFRACTION (3.192 Å)
Cite:Structural Analysis of Human and Macaque mAbs 2909 and 2.5B: Implications for the Configuration of the Quaternary Neutralizing Epitope of HIV-1 gp120.
Structure, 19, 2011
4F3Q
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BU of 4f3q by Molmil
Structure of a YebC family protein (CBU_1566) from Coxiella burnetii
Descriptor: SULFATE ION, Transcriptional regulatory protein CBU_1566
Authors:Franklin, M.C, Cheung, J, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2012-05-09
Release date:2012-06-27
Last modified:2016-02-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
4F3R
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BU of 4f3r by Molmil
Structure of phosphopantetheine adenylyltransferase (CBU_0288) from Coxiella burnetii
Descriptor: CALCIUM ION, Phosphopantetheine adenylyltransferase
Authors:Franklin, M.C, Cheung, J, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2012-05-09
Release date:2012-07-04
Last modified:2016-02-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
4XUZ
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BU of 4xuz by Molmil
Structure of CTX-M-15 bound to RPX-7009 at 1.5 A
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ...
Authors:Clifton, M.C, Gardberg, A.
Deposit date:2015-01-26
Release date:2015-04-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of a Cyclic Boronic Acid beta-Lactamase Inhibitor (RPX7009) with Utility vs Class A Serine Carbapenemases.
J.Med.Chem., 58, 2015
4XUX
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BU of 4xux by Molmil
Structure of ampC bound to RPX-7009 at 1.75 A
Descriptor: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, Beta-lactamase, ...
Authors:Clifton, M.C, Abendroth, J.
Deposit date:2015-01-26
Release date:2015-04-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of a Cyclic Boronic Acid beta-Lactamase Inhibitor (RPX7009) with Utility vs Class A Serine Carbapenemases.
J.Med.Chem., 58, 2015
4NG4
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BU of 4ng4 by Molmil
Structure of phosphoglycerate kinase (CBU_1782) from Coxiella burnetii
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphoglycerate kinase
Authors:Franklin, M.C, Cheung, J, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2013-11-01
Release date:2015-06-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
4NBQ
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BU of 4nbq by Molmil
Structure of the polynucleotide phosphorylase (CBU_0852) from Coxiella burnetii
Descriptor: Polyribonucleotide nucleotidyltransferase, SULFATE ION
Authors:Rudolph, M.J, Cheung, J, Franklin, M.C, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2013-10-23
Release date:2015-06-17
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.9138 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3GO1
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BU of 3go1 by Molmil
Crystal structure of anti-HIV-1 Fab 268-D in complex with V3 peptide MN
Descriptor: Envelope glycoprotein gp160, Fab 268-D, heavy chain, ...
Authors:Kong, X.P, Burke, V.J.
Deposit date:2009-03-18
Release date:2010-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Conserved structural elements in the V3 crown of HIV-1 gp120.
Nat.Struct.Mol.Biol., 17, 2010
7TI0
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BU of 7ti0 by Molmil
Structure of CTX-M-15 bound to RPX-7063 at 1.5A
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ...
Authors:Clifton, M.C, Abendroth, J, Hecker, S.J, Edwards, T.E.
Deposit date:2022-01-12
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Broad-spectrum cyclic boronate beta-lactamase inhibitors featuring an intramolecular prodrug for oral bioavailability.
Bioorg.Med.Chem., 62, 2022
7TI2
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BU of 7ti2 by Molmil
Structure of KPC-2 bound to RPX-7063 at 1.75A
Descriptor: 1,2-ETHANEDIOL, Carbapenem-hydrolyzing beta-lactamase KPC, {(3R,7S)-2-hydroxy-3-[2-(thiophen-2-yl)acetamido]-2,3,4,7-tetrahydro-1,2-oxaborepin-7-yl}acetic acid
Authors:Clifton, M.C, Fairman, J.W, Edwards, T.E, Hecker, S.J.
Deposit date:2022-01-12
Release date:2022-10-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Broad-spectrum cyclic boronate beta-lactamase inhibitors featuring an intramolecular prodrug for oral bioavailability.
Bioorg.Med.Chem., 62, 2022
7TI1
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BU of 7ti1 by Molmil
Structure of AmpC bound to RPX-7063 at 2.0A
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ...
Authors:Clifton, M.C, Abendroth, J, Edwards, T.E, Hecker, S.J.
Deposit date:2022-01-12
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Broad-spectrum cyclic boronate beta-lactamase inhibitors featuring an intramolecular prodrug for oral bioavailability.
Bioorg.Med.Chem., 62, 2022
7N94
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BU of 7n94 by Molmil
LINE-1 endonuclease domain complex with DNA
Descriptor: DNA (5'-D(*AP*GP*CP*CP*CP*TP*TP*AP*AP*AP*AP*AP*GP*GP*AP*GP*CP*T)-3'), DNA (5'-D(*GP*CP*TP*CP*CP*TP*TP*TP*TP*TP*AP*AP*GP*GP*GP*CP*TP*A)-3'), LINE-1 retrotransposable element ORF2 protein
Authors:Korolev, S, Miller, I.
Deposit date:2021-06-16
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural dissection of sequence recognition and catalytic mechanism of human LINE-1 endonuclease.
Nucleic Acids Res., 49, 2021
7N8K
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BU of 7n8k by Molmil
LINE-1 endonuclease domain complex with Mg
Descriptor: ACETATE ION, LINE-1 retrotransposable element ORF2 protein, MAGNESIUM ION, ...
Authors:Korolev, S, Miller, I.
Deposit date:2021-06-15
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural dissection of sequence recognition and catalytic mechanism of human LINE-1 endonuclease.
Nucleic Acids Res., 49, 2021
7N8S
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BU of 7n8s by Molmil
LINE-1 endonuclease domain complex with DNA
Descriptor: DNA (5'-D(*CP*CP*TP*TP*AP*AP*AP*AP*AP*GP*GP*AP*GP*CP*T)-3'), DNA (5'-D(*GP*CP*TP*CP*CP*TP*TP*TP*TP*TP*AP*AP*GP*GP*A)-3'), LINE-1 retrotransposable element ORF2 protein
Authors:Korolev, S, Miller, I.
Deposit date:2021-06-15
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structural dissection of sequence recognition and catalytic mechanism of human LINE-1 endonuclease.
Nucleic Acids Res., 49, 2021
6V1M
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BU of 6v1m by Molmil
Structure of NDM-1 bound to QPX7728 at 1.05 A
Descriptor: (1~{a}~{R},7~{b}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2019-11-20
Release date:2020-03-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases.
J.Med.Chem., 63, 2020
6V1J
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BU of 6v1j by Molmil
Structure of KPC-2 bound to QPX7728 at 1.30 A
Descriptor: (1aR,7bS)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, (1~{a}~{R},7~{b}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, ...
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2019-11-20
Release date:2020-03-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases.
J.Med.Chem., 63, 2020
6V1P
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BU of 6v1p by Molmil
Structure of VIM-2 bound to QPX7728 at 1.20 A
Descriptor: (1~{a}~{R},7~{b}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, ACETATE ION, Beta-lactamase class B VIM-2, ...
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2019-11-20
Release date:2020-03-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases.
J.Med.Chem., 63, 2020
6V1O
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BU of 6v1o by Molmil
Structure of OXA-48 bound to QPX7728 at 1.80 A
Descriptor: (1aR,7bS)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2019-11-20
Release date:2020-03-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases.
J.Med.Chem., 63, 2020
6V7H
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BU of 6v7h by Molmil
Structure of CTX-M-14 bound to Vaborbactam at 1.0 A
Descriptor: 2-[(3~{R},6~{S})-2,2-bis(oxidanyl)-3-(2-thiophen-2-ylethanoylamino)-1-oxa-2-boranuidacyclohex-6-yl]ethanoic acid, Beta-lactamase, PHOSPHATE ION, ...
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2019-12-08
Release date:2020-08-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structural Basis and Binding Kinetics of Vaborbactam in Class A beta-Lactamase Inhibition.
Antimicrob.Agents Chemother., 64, 2020
6V7I
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BU of 6v7i by Molmil
Structure of KPC-2 bound to Vaborbactam at 1.25 A
Descriptor: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, SULFATE ION, ...
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2019-12-08
Release date:2020-08-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural Basis and Binding Kinetics of Vaborbactam in Class A beta-Lactamase Inhibition.
Antimicrob.Agents Chemother., 64, 2020
3MLV
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BU of 3mlv by Molmil
Crystal structure of anti-HIV-1 V3 Fab 2557 in complex with an NOF V3 peptide
Descriptor: HIV-1 gp120 third variable region (V3) crown, Human monoclonal anti-HIV-1 gp120 V3 antibody 2557 Fab heavy chain, Human monoclonal anti-HIV-1 gp120 V3 antibody 2557 Fab light chain
Authors:Kong, X.-P.
Deposit date:2010-04-18
Release date:2010-07-14
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Conserved structural elements in the V3 crown of HIV-1 gp120.
Nat.Struct.Mol.Biol., 17, 2010
3MLY
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BU of 3mly by Molmil
Crystal structure of anti-HIV-1 V3 Fab 3074 in complex with a UR29 V3 peptide
Descriptor: HIV-1 gp120 third variable region (V3) crown, Human monoclonal anti-HIV-1 gp120 V3 antibody 3074 Fab heavy chain, Human monoclonal anti-HIV-1 gp120 V3 antibody 3074 Fab light chain
Authors:Kong, X.-P.
Deposit date:2010-04-18
Release date:2010-07-14
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Conserved structural elements in the V3 crown of HIV-1 gp120.
Nat.Struct.Mol.Biol., 17, 2010
3MLW
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BU of 3mlw by Molmil
Crystal structure of anti-HIV-1 V3 Fab 1006-15D in complex with an MN V3 peptide
Descriptor: HIV-1 gp120 third variable region (V3) crown, Human monoclonal anti-HIV-1 gp120 V3 antibody 1006-15D Fab heavy chain, Human monoclonal anti-HIV-1 gp120 V3 antibody 1006-15D Fab light chain, ...
Authors:Kong, X.-P.
Deposit date:2010-04-18
Release date:2010-07-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Conserved structural elements in the V3 crown of HIV-1 gp120.
Nat.Struct.Mol.Biol., 17, 2010
3MLT
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BU of 3mlt by Molmil
Crystal structure of anti-HIV-1 V3 Fab 2557 in complex with a UG1033 V3 peptide
Descriptor: HIV-1 gp120 third variable region (V3) crown, Human monoclonal anti-HIV-1 gp120 V3 antibody 2557 Fab heavy chain, Human monoclonal anti-HIV-1 gp120 V3 antibody 2557 Fab light chain
Authors:Kong, X.-P.
Deposit date:2010-04-18
Release date:2010-07-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Conserved structural elements in the V3 crown of HIV-1 gp120.
Nat.Struct.Mol.Biol., 17, 2010

 

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