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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
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:2023-08-30
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
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:2024-03-13
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:2023-09-06
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
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:2023-04-12
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
8U2D
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BU of 8u2d by Molmil
Bruton's tyrosine kinase in complex with N-[(2R)-1-[(3R)-3-(methylcarbamoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide
Descriptor: (3R)-2-[N-(1H-indazole-5-carbonyl)-3-methyl-D-phenylalanyl]-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Gajewski, S, Clifton, M.C.
Deposit date:2023-09-05
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery and Preclinical Pharmacology of NX-2127, an Orally Bioavailable Degrader of Bruton's Tyrosine Kinase with Immunomodulatory Activity for the Treatment of Patients with B Cell Malignancies.
J.Med.Chem., 67, 2024
8U2E
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BU of 8u2e by Molmil
Bruton's tyrosine kinase in complex with N-[(2R)-1-[(3R)-3-(methylcarbamoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide
Descriptor: (2S)-6-fluoro-5-[(3S)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-(4-methylpiperazine-1-carbonyl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Gajewski, S, Clifton, M.C.
Deposit date:2023-09-05
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery and Preclinical Pharmacology of NX-2127, an Orally Bioavailable Degrader of Bruton's Tyrosine Kinase with Immunomodulatory Activity for the Treatment of Patients with B Cell Malignancies.
J.Med.Chem., 67, 2024
8DEY
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BU of 8dey by Molmil
Ternary complex structure of Cereblon-DDB1 bound to IKZF2(ZF2,3) and the molecular glue DKY709
Descriptor: (3S)-3-[5-(1-benzylpiperidin-4-yl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione, DNA damage-binding protein 1, Protein cereblon, ...
Authors:Ma, X, Ornelas, E, Clifton, M.C.
Deposit date:2022-06-21
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Discovery and characterization of a selective IKZF2 glue degrader for cancer immunotherapy.
Cell Chem Biol, 30, 2023
4QTP
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BU of 4qtp by Molmil
Crystal Structure of an Anti-sigma Factor Antagonist from Mycobacterium paratuberculosis
Descriptor: 1,2-ETHANEDIOL, Anti-sigma factor antagonist, CITRIC ACID, ...
Authors:Dranow, D.M, Clifton, M.C, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-07-08
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of an Anti-sigma Factor Antagonist from Mycobacterium paratuberculosis
TO BE PUBLISHED
7U8F
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BU of 7u8f by Molmil
Ternary complex structure of Cereblon-DDB1 bound to IKZF2(ZF2) and the molecular glue DKY709
Descriptor: (3S)-3-[5-(1-benzylpiperidin-4-yl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA damage-binding protein 1, ...
Authors:Ma, X, Ornelas, E, Clifton, M.C.
Deposit date:2022-03-08
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Discovery and characterization of a selective IKZF2 glue degrader for cancer immunotherapy.
Cell Chem Biol, 30, 2023
3HYJ
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BU of 3hyj by Molmil
Crystal structure of the N-terminal LAGLIDADG domain of DUF199/WhiA
Descriptor: CHLORIDE ION, GLYCEROL, Protein DUF199/WhiA, ...
Authors:Kaiser, B.K, Clifton, M.C, Shen, B.W, Stoddard, B.L.
Deposit date:2009-06-22
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The structure of a bacterial DUF199/WhiA protein: domestication of an invasive endonuclease.
Structure, 17, 2009
3HYI
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BU of 3hyi by Molmil
Crystal structure of full-length DUF199/WhiA from Thermatoga maritima
Descriptor: GLYCEROL, Protein DUF199/WhiA, SODIUM ION
Authors:Kaiser, B.K, Clifton, M.C, Shen, B.W, Stoddard, B.L.
Deposit date:2009-06-22
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:The structure of a bacterial DUF199/WhiA protein: domestication of an invasive endonuclease
Structure, 17, 2009
4K19
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BU of 4k19 by Molmil
The structure of Human Siderocalin bound to the bacterial siderophore fluvibactin
Descriptor: (4S,5R)-N,N-bis{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide, CHLORIDE ION, FE (III) ION, ...
Authors:Correnti, C, Clifton, M.C, Strong, R.K.
Deposit date:2013-04-04
Release date:2013-07-31
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Siderocalin Outwits the Coordination Chemistry of Vibriobactin, a Siderophore of Vibrio cholerae.
Acs Chem.Biol., 8, 2013
3SAO
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BU of 3sao by Molmil
The Siderocalin Ex-FABP functions through dual ligand specificities
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate, 2,3-DIHYDROXY-BENZOIC ACID, Extracellular fatty acid-binding protein, ...
Authors:Correnti, C, Strong, R.K, Clifton, M.C.
Deposit date:2011-06-03
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Galline Ex-FABP Is an Antibacterial Siderocalin and a Lysophosphatidic Acid Sensor Functioning through Dual Ligand Specificities.
Structure, 19, 2011
3U0B
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BU of 3u0b by Molmil
Crystal structure of an oxidoreductase from Mycobacterium smegmatis
Descriptor: Oxidoreductase, short chain dehydrogenase/reductase family protein, SODIUM ION
Authors:Arakaki, T.L, Staker, B.L, Clifton, M.C, Abendroth, J, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-09-28
Release date:2011-10-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3U0A
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BU of 3u0a by Molmil
Crystal structure of an Acyl-CoA thioesterase II TesB2 from Mycobacterium marinum
Descriptor: Acyl-CoA thioesterase II TesB2, GLYCEROL, SODIUM ION, ...
Authors:Arakaki, T.L, Staker, B.L, Clifton, M.C, Sankaran, B, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-09-28
Release date:2011-10-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4QHQ
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BU of 4qhq by Molmil
The structure of a nutrient binding protein from Burkholderia cenocepacia bound to methionine
Descriptor: DI(HYDROXYETHYL)ETHER, Lipoprotein, METHIONINE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-05-28
Release date:2014-06-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The structure of a nutrient binding protein from Burkholderia cenocepacia bound to methionine
TO BE PUBLISHED
4TWG
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BU of 4twg by Molmil
The structure of the Molybdopterin biosynthesis Mog protein from Mycobacterium ulcerans
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Molybdopterin biosynthesis Mog protein
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-06-30
Release date:2014-11-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The structure of the Molybdopterin biosynthesis Mog protein from Mycobacterium ulcerans
To Be Published
5DWM
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BU of 5dwm by Molmil
Crystal structure of Phosphinothricin N-acetyltransferase from Brucella ovis
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, IMIDAZOLE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-09-22
Release date:2015-12-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of Phosphinothricin N-acetyltransferase from Brucella ovis
to be published
5DVW
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BU of 5dvw by Molmil
Structure of minor nucleoprotein V30 from Zaire ebolavirus
Descriptor: 1,2-ETHANEDIOL, Minor nucleoprotein VP30
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-09-21
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of minor nucleoprotein V30 from Zaire ebolavirus
to be published
4L83
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BU of 4l83 by Molmil
Structure of a putative Ubiquitin-conjugating enzyme E2 from Brugia malayi
Descriptor: 1,2-ETHANEDIOL, Ube2i2 protein
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-06-15
Release date:2013-06-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of a putative Ubiquitin-conjugating enzyme E2 from Brugia malayi
TO BE PUBLISHED
4L82
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BU of 4l82 by Molmil
Structure of a putative oxidoreductase from Rickettsia felis
Descriptor: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, RifeA.00250.a, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-06-15
Release date:2013-06-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a putative oxidoreductase from Rickettsia felis
To be Published
4KZK
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BU of 4kzk by Molmil
The structure of the periplasmic L-arabinose binding protein from Burkholderia thailandensis
Descriptor: L-arabinose ABC transporter, periplasmic L-arabinose-binding protein, beta-D-galactopyranose
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-05-30
Release date:2013-06-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The structure of the periplasmic L-arabinose binding protein from Burkholderia thailandensis
TO BE PUBLISHED
3QI6
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BU of 3qi6 by Molmil
Crystal Structure of Cystathionine gamma-synthase MetB (Cgs) from Mycobacterium ulcerans Agy99
Descriptor: 1,2-ETHANEDIOL, Cystathionine gamma-synthase MetB (Cgs), GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-01-26
Release date:2011-03-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structure of the cystathionine [gamma]-synthase MetB from Mycobacterium ulcerans
Acta Crystallogr.,Sect.F, 67, 2011

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