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6NJJ
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BU of 6njj by Molmil
Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN14770
Descriptor: (4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Fox III, D, Fairman, J.W, Gurney, M.E.
Deposit date:2019-01-03
Release date:2019-05-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders.
J.Med.Chem., 62, 2019
6NJI
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BU of 6nji by Molmil
Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with T-49
Descriptor: 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol, MAGNESIUM ION, ZINC ION, ...
Authors:Fox III, D, Fairman, J.W, Gurney, M.E.
Deposit date:2019-01-03
Release date:2019-05-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders.
J.Med.Chem., 62, 2019
6OP0
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BU of 6op0 by Molmil
Asymmetric hTNF-alpha
Descriptor: (R)-{1-[(2,5-dimethylphenyl)methyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl}(pyridin-4-yl)methanol, Tumor necrosis factor
Authors:Arakaki, T.L, Edwards, T.E, Fairman, J.W, Davies, D.R, Foley, A, Ceska, T.
Deposit date:2019-04-23
Release date:2019-12-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Small molecules that inhibit TNF signalling by stabilising an asymmetric form of the trimer.
Nat Commun, 10, 2019
6C97
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BU of 6c97 by Molmil
Crystal structure of FcRn at pH3
Descriptor: Beta-2-microglobulin, GLYCEROL, IgG receptor FcRn large subunit p51
Authors:Fox III, D, Fairman, J.W.
Deposit date:2018-01-25
Release date:2018-05-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insight into small molecule binding to the neonatal Fc receptor by X-ray crystallography and 100 kHz magic-angle-spinning NMR.
PLoS Biol., 16, 2018
6BOJ
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BU of 6boj by Molmil
Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN5004
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(4-{[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl}phenyl)acetamide, CHLORIDE ION, ...
Authors:Fox III, D, Fairman, J.W, Gurney, M.E.
Deposit date:2017-11-20
Release date:2018-08-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Memory enhancing effects of BPN14770, an allosteric inhibitor of phosphodiesterase-4D, in wild-type and humanized mice.
Neuropsychopharmacology, 43, 2018
4KZP
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BU of 4kzp by Molmil
Crystal Structure of a Putative Short Chain Dehydrogenase from Mycobacterium smegmatis
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Oxidoreductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-05-30
Release date:2013-07-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystal Structure of a Putative Short Chain Dehydrogenase from Mycobacterium smegmatis
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
4LGV
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BU of 4lgv by Molmil
X-ray crystal structure of Glucose-6-phosphate 1-dehydrogenase from Mycobacterium avium
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-06-28
Release date:2013-07-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4LFY
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BU of 4lfy by Molmil
Crystal structure of a dihydroorotase from Burkholderia cenocepacia J2315
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Dihydroorotase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-06-27
Release date:2013-07-10
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a dihydroorotase from Burkholderia cenocepacia J2315
To be Published
4MF4
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BU of 4mf4 by Molmil
Crystal structure of a HpcH/Hpal aldolase/citrate lyase family protein from Burkholderia cenocepacia J2315
Descriptor: 1,2-ETHANEDIOL, HpcH/HpaI aldolase/citrate lyase family protein
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-08-27
Release date:2013-09-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a HpcH/Hpal aldolase/citrate lyase family protein from Burkholderia cenocepacia J2315
To be Published
4M9A
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BU of 4m9a by Molmil
Crystal structure of Acyl-coA dehydrogenase from Burkholderia thailandensis E264
Descriptor: Acyl-CoA dehydrogenase, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-08-14
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Acyl-coA dehydrogenase from Burkholderia thailandensis E264
TO BE PUBLISHED
4MOW
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BU of 4mow by Molmil
Crystal structure of a putative glucose 1-dehydrogenase from Burkholderia cenocepacia J2315
Descriptor: Glucose 1-dehydrogenase, SODIUM ION
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-09-12
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of a putative glucose 1-dehydrogenase from Burkholderia cenocepacia J2315
TO BE PUBLISHED
4N5F
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BU of 4n5f by Molmil
Crystal Structure of a Putative acyl-CoA dehydrogenase with bound FADH2 from Burkholderia cenocepacia J2315
Descriptor: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Putative acyl-CoA dehydrogenase, UNKNOWN ATOM OR ION
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-10-09
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of a Putative acyl-CoA dehydrogenase with bound FADH2 from Burkholderia cenocepacia J2315
TO BE PUBLISHED
4NVT
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BU of 4nvt by Molmil
Crystal Structure of Triosephosphate Isomerase from Brucella melitensis
Descriptor: Triosephosphate isomerase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-12-05
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Triosephosphate Isomerase from Brucella melitensis
To be Published
4O2D
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BU of 4o2d by Molmil
Crystal structure of aspartyl-tRNA synthetase from Mycobacterium smegmatis with bound aspartic acid
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ASPARTIC ACID, Aspartate--tRNA ligase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-12-17
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4O5F
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BU of 4o5f by Molmil
Crystal structure of Type III pantothenate kinase from Burkholderia thailandensis in complex with pantothenate and phosphate
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID), Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-12-19
Release date:2014-01-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of Type III pantothenate kinase from Burkholderia thailandensis in complex with pantothenate and phosphate
To be Published
4O6V
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BU of 4o6v by Molmil
Crystal Structure of a 3-oxoacyl-[acyl-carrier protein] reductase (EC 1.1.1.100) from Brucella suis
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Oxidoreductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-12-23
Release date:2014-01-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of a 3-oxoacyl-[acyl-carrier protein] reductase (EC 1.1.1.100) from Brucella suis
TO BE PUBLISHED
4OA8
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BU of 4oa8 by Molmil
X-ray crystal structure of O-methyltransferase from Anaplasma phagocytophilum in apo form
Descriptor: 1,2-ETHANEDIOL, O-methyltransferase family protein, SODIUM ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-01-03
Release date:2014-01-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:An O-Methyltransferase Is Required for Infection of Tick Cells by Anaplasma phagocytophilum.
Plos Pathog., 11, 2015
4OA5
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BU of 4oa5 by Molmil
X-ray crystal structure of an O-methyltransferase from Anaplasma phagocytophilum bound to SAH solved by iodide SAD phasing
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, IODIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-01-03
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:An O-Methyltransferase Is Required for Infection of Tick Cells by Anaplasma phagocytophilum.
Plos Pathog., 11, 2015
5SCZ
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BU of 5scz by Molmil
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1224
Descriptor: (2E)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)prop-2-en-1-ol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2022-03-02
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1224
to be published
5SD9
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BU of 5sd9 by Molmil
Crystal Structure of Dihydrofolate Reductase from Homo sapiens bound to NADP and SDDC Inhibitor SDDC-1096
Descriptor: (2S)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3-fluoropropanoic acid, 1,2-ETHANEDIOL, Dihydrofolate reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2022-03-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Homo sapiens bound to NADP and SDDC Inhibitor SDDC-1096
to be published
5SCU
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BU of 5scu by Molmil
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-888
Descriptor: 4-(3-{4-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]butoxy}phenyl)butanoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2022-03-02
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-888
to be published
5SCQ
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BU of 5scq by Molmil
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-614
Descriptor: Dihydrofolate reductase, N-[2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)ethanesulfonyl]acetamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2022-03-02
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-614
to be published
5SD1
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BU of 5sd1 by Molmil
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1235 (enantiomer)
Descriptor: (2S)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid, 1,2-ETHANEDIOL, Dihydrofolate reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2022-03-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1235 (enantiomer)
to be published
5SD7
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BU of 5sd7 by Molmil
Crystal Structure of Dihydrofolate Reductase from Homo sapiens bound to NADP and SDDC Inhibitor SDDC-735
Descriptor: (2S)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2022-03-02
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Homo sapiens bound to NADP and SDDC Inhibitor SDDC-735
to be published

218853

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