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PDB: 48 results

8U16
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BU of 8u16 by Molmil
The ternary complex structure of DDB1-CRBN-SALL4(ZF1,2)-short bound to Pomalidomide
Descriptor: 1,2-ETHANEDIOL, DNA damage-binding protein 1, Protein cereblon, ...
Authors:Clifton, M.C, Ma, X, Ornelas, E.
Deposit date:2023-08-30
Release date:2023-12-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural and biophysical comparisons of the pomalidomide- and CC-220-induced interactions of SALL4 with cereblon.
Sci Rep, 13, 2023
8U17
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BU of 8u17 by Molmil
The ternary complex structure of DDB1-CRBN-SALL4(ZF1,2)-long bound to Pomalidomide
Descriptor: DNA damage-binding protein 1, Protein cereblon, S-Pomalidomide, ...
Authors:Clifton, M.C, Ma, X, Ornelas, E.
Deposit date:2023-08-30
Release date:2023-12-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural and biophysical comparisons of the pomalidomide- and CC-220-induced interactions of SALL4 with cereblon.
Sci Rep, 13, 2023
8U15
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BU of 8u15 by Molmil
The ternary complex structure of DDB1-CRBN-SALL4(ZF1,2)-short bound to CC-220
Descriptor: (3S)-3-[4-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione, DDB1, Protein cereblon, ...
Authors:Clifton, M.C, Ma, X, Ornelas, E.
Deposit date:2023-08-30
Release date:2023-12-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural and biophysical comparisons of the pomalidomide- and CC-220-induced interactions of SALL4 with cereblon.
Sci Rep, 13, 2023
8TZX
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BU of 8tzx by Molmil
Ternary complex structure of Cereblon-DDB1 bound to WIZ(ZF7) and the molecular glue dWIZ-1
Descriptor: (3S)-3-(5-{(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione, 1,2-ETHANEDIOL, DNA damage-binding protein 1, ...
Authors:Clifton, M.C, Ma, X, Ornelas, E.
Deposit date:2023-08-28
Release date:2024-07-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:A molecular glue degrader of the WIZ transcription factor for fetal hemoglobin induction.
Science, 385, 2024
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:2024-10-30
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:2024-10-23
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
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:2024-10-09
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
3BY0
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BU of 3by0 by Molmil
Crystal structure of Siderocalin (NGAL, Lipocalin 2) W79A-R81A complexed with Ferric Enterobactin
Descriptor: 2,3-DIHYDROXY-BENZOIC ACID, 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID, FE (III) ION, ...
Authors:Clifton, M.C, Pizzaro, J.C, Strong, R.K.
Deposit date:2008-01-15
Release date:2008-09-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.572 Å)
Cite:The siderocalin/enterobactin interaction: a link between mammalian immunity and bacterial iron transport.
J.Am.Chem.Soc., 130, 2008
3CMP
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BU of 3cmp by Molmil
Crystal structure of Siderocalin (NGAL, Lipocalin 2) K125A mutant complexed with Ferric Enterobactin
Descriptor: 2,3-DIHYDROXY-BENZOIC ACID, FE (III) ION, GLYCEROL, ...
Authors:Clifton, M.C, Strong, R.K.
Deposit date:2008-03-24
Release date:2009-05-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands
To be Published
3CBC
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BU of 3cbc by Molmil
Crystal structure of Siderocalin (NGAL, Lipocalin 2) Y106F complexed with Ferric Enterobactin
Descriptor: 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID, GLYCEROL, Neutrophil gelatinase-associated lipocalin, ...
Authors:Clifton, M.C, Pizaro, J.C, Strong, R.K.
Deposit date:2008-02-21
Release date:2008-09-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:The siderocalin/enterobactin interaction: a link between mammalian immunity and bacterial iron transport.
J.Am.Chem.Soc., 130, 2008
3PEC
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BU of 3pec by Molmil
Siderocalin Recognitin of Carboxymycobactins: Interference by the immune system in intracellular iron acquisition by Mycobacteria tuberculosis
Descriptor: 9-{hydroxy[(5S,6R)-6-hydroxy-6-{[(1S)-3-{[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino}-1-methyl-3-oxopropyl]oxy}-5-({[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)hexyl]amino}-9-oxononanoic acid, FE (III) ION, GLYCEROL, ...
Authors:Clifton, M.C.
Deposit date:2010-10-25
Release date:2011-10-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Siderocalin Recognitin of Carboxymycobactins: Interference by the immune system in intracellular iron acquisition by Mycobacteria tuberculosis
To be Published
3PED
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BU of 3ped by Molmil
Siderocalin Recognitin of Carboxymycobactins: Interference by the immune system in intracellular iron acquisition by Mycobacteria tuberculosis
Descriptor: (9Z)-11-{hydroxy[(5S)-6-{[(1S)-3-{[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino}-1-methyl-3-oxopropyl]oxy}-5-({[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)-6-oxohexyl]amino}-11-oxoundec-9-enoic acid, FE (III) ION, Neutrophil gelatinase-associated lipocalin, ...
Authors:Clifton, M.C.
Deposit date:2010-10-25
Release date:2011-10-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Siderocalin Recognitin of Carboxymycobactins: Interference by the immune system in intracellular iron acquisition by Mycobacteria tuberculosis
To be Published
3TCQ
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BU of 3tcq by Molmil
Crystal Structure of matrix protein VP40 from Ebola virus Sudan
Descriptor: Matrix protein VP40
Authors:Clifton, M.C, Edwards, T.E, Anderson, V, Atkins, K, Raymond, A, Saphire, E.O, Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-08-09
Release date:2012-10-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High-resolution Crystal Structure of Dimeric VP40 From Sudan ebolavirus.
J Infect Dis, 212 Suppl 2, 2015
3TNY
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BU of 3tny by Molmil
Structure of YfiY from Bacillus cereus bound to the siderophore iron (III) schizokinen
Descriptor: YfiY (ABC transport system substrate-binding protein), [2-(hydroxy-kappaO)-4-[(3-{(hydroxy-kappaO)[1-(hydroxy-kappaO)ethenyl]amino}propyl)amino]-2-{2-[(3-{(hydroxy-kappaO)[1- (hydroxy-kappaO)ethenyl]amino}propyl)amino]-2-oxoethyl}-4-oxobutanoato(6-)-kappaO]iron
Authors:Clifton, M.C.
Deposit date:2011-09-02
Release date:2012-09-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands
To be Published
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:2024-10-23
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:2024-11-06
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
3K3L
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BU of 3k3l by Molmil
Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with apo Enterobactin
Descriptor: 2,3-DIHYDROXY-BENZOIC ACID, 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID, CHLORIDE ION, ...
Authors:Clifton, M.C.
Deposit date:2009-10-02
Release date:2010-08-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands
To be Published
3HWG
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BU of 3hwg by Molmil
Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Fe-TrenCam-hopo2
Descriptor: CHLORIDE ION, FE (III) ION, GLYCEROL, ...
Authors:Clifton, M.C.
Deposit date:2009-06-17
Release date:2010-06-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands
To be Published
3I0A
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BU of 3i0a by Molmil
Crystal structure of Siderocalin (NGAL, Lipocalin 2) K134A mutant complexed with Ferric Enterobactin
Descriptor: 2,3-DIHYDROXY-BENZOIC ACID, FE (III) ION, GLYCEROL, ...
Authors:Clifton, M.C.
Deposit date:2009-06-24
Release date:2010-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands
To be Published
3HWF
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BU of 3hwf by Molmil
Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Fe-TrenCam2-hopo
Descriptor: CHLORIDE ION, FE (III) ION, GLYCEROL, ...
Authors:Clifton, M.C.
Deposit date:2009-06-17
Release date:2010-06-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands
To be Published
3HWD
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BU of 3hwd by Molmil
Crystal structure of Siderocalin (NGAL, Lipocalin 2) K125A-K134A mutant complexed with Ferric Enterobactin
Descriptor: Neutrophil gelatinase-associated lipocalin, SODIUM ION
Authors:Clifton, M.C.
Deposit date:2009-06-17
Release date:2010-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands
To be Published
3HWE
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BU of 3hwe by Molmil
Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Fe-BisHaCam
Descriptor: FE (III) ION, GLYCEROL, Neutrophil gelatinase-associated lipocalin, ...
Authors:Clifton, M.C.
Deposit date:2009-06-17
Release date:2010-06-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands
To be Published
3FW4
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BU of 3fw4 by Molmil
Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Ferric Catechol
Descriptor: CATECHOL, CHLORIDE ION, FE (III) ION, ...
Authors:Clifton, M.C, Strong, R.K.
Deposit date:2009-01-16
Release date:2010-05-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Iron traffics in circulation bound to a siderocalin (Ngal)-catechol complex.
Nat.Chem.Biol., 6, 2010
3FW5
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BU of 3fw5 by Molmil
Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Ferric 4-methyl-catechol
Descriptor: 4-METHYLCATECHOL, CHLORIDE ION, FE (III) ION, ...
Authors:Clifton, M.C, Strong, R.K.
Deposit date:2009-01-16
Release date:2010-05-05
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Iron traffics in circulation bound to a siderocalin (Ngal)-catechol complex.
Nat.Chem.Biol., 6, 2010
8EJB
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BU of 8ejb by Molmil
Bruton's tyrosine kinase in complex with 3-{[4-(1-acetylpiperidin-4-yl)phenyl]amino}-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
Descriptor: 1,2-ETHANEDIOL, 5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide, CHLORIDE ION, ...
Authors:Gajewski, S, Clifton, M.C.
Deposit date:2022-09-16
Release date:2023-02-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:NRX-0492 degrades wild-type and C481 mutant BTK and demonstrates in vivo activity in CLL patient-derived xenografts.
Blood, 141, 2023

 

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数据于2024-11-06公开中

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