3FA2
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4E44
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4E45
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![BU of 4e45 by Molmil](/molmil-images/mine/4e45) | Crystal structure of the hMHF1/hMHF2 Histone-Fold Tetramer in Complex with Fanconi Anemia Associated Helicase hFANCM | Descriptor: | Centromere protein S, Centromere protein X, Fanconi anemia group M protein, ... | Authors: | Fox III, D, Zhao, Y, Yang, W, Weidong, W. | Deposit date: | 2012-03-12 | Release date: | 2013-03-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures Reveal that FANCM remodels the MHF Tetramer in favor of binding Branched DNA To be Published
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6TZ7
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![BU of 6tz7 by Molmil](/molmil-images/mine/6tz7) | Crystal Structure of Aspergillus fumigatus Calcineurin A, Calcineurin B, FKBP12 and FK506 (Tacrolimus) | Descriptor: | 1,2-ETHANEDIOL, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, ... | Authors: | Fox III, D, Horanyi, P.S. | Deposit date: | 2019-08-10 | Release date: | 2019-09-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents. Nat Commun, 10, 2019
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6TZ6
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![BU of 6tz6 by Molmil](/molmil-images/mine/6tz6) | Crystal Structure of Candida Albicans Calcineurin A, Calcineurin B, FKBP12 and FK506 (Tacrolimus) | Descriptor: | 1,2-ETHANEDIOL, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, ... | Authors: | Fox III, D, Lukacs, C.M. | Deposit date: | 2019-08-10 | Release date: | 2019-09-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents. Nat Commun, 10, 2019
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6NJH
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![BU of 6njh by Molmil](/molmil-images/mine/6njh) | Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with T-48 | Descriptor: | 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)acetamide, 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 (2.15 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
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6NJI
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![BU of 6nji by Molmil](/molmil-images/mine/6nji) | 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
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5KLX
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7KPA
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![BU of 7kpa by Molmil](/molmil-images/mine/7kpa) | asymmetric hTNF-alpha | Descriptor: | 5-(1-{[2-(difluoromethoxy)phenyl]methyl}-2-{[3-(2-oxopyrrolidin-1-yl)phenoxy]methyl}-1H-benzimidazol-6-yl)pyridin-2(1H)-one, Tumor necrosis factor | Authors: | Fox III, D, Lukacs, C.M, Ceska, T. | Deposit date: | 2020-11-10 | Release date: | 2021-01-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A conformation-selective monoclonal antibody against a small molecule-stabilised signalling-deficient form of TNF. Nat Commun, 12, 2021
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7KPB
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![BU of 7kpb by Molmil](/molmil-images/mine/7kpb) | Human TNF-alpha TNFR1 complex bound to conformationally selective antibody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(1-{[2-(difluoromethoxy)phenyl]methyl}-2-{[3-(2-oxopyrrolidin-1-yl)phenoxy]methyl}-1H-benzimidazol-6-yl)pyridin-2(1H)-one, Fab1974 - Heavy Chain, ... | Authors: | Fox III, D, Conrady, D.G, Lowe, M, Ceska, T. | Deposit date: | 2020-11-10 | Release date: | 2021-01-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A conformation-selective monoclonal antibody against a small molecule-stabilised signalling-deficient form of TNF Nat Commun, 12, 2021
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5VPV
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6OOZ
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![BU of 6ooz by Molmil](/molmil-images/mine/6ooz) | Asymmetric hTNF-alpha | Descriptor: | (S)-{1-[(2,5-dimethylphenyl)methyl]-1H-benzimidazol-2-yl}(pyridin-4-yl)methanol, CHLORIDE ION, Tumor necrosis factor | Authors: | Arakaki, T.L, Edwards, T.E, Fox III, D, Lecomte, F, Ceska, T. | Deposit date: | 2019-04-23 | Release date: | 2019-12-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Small molecules that inhibit TNF signalling by stabilising an asymmetric form of the trimer. Nat Commun, 10, 2019
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5B8I
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![BU of 5b8i by Molmil](/molmil-images/mine/5b8i) | Crystal structure of Calcineurin A and Calcineurin B in complex with FKBP12 and FK506 from Coccidioides immitis RS | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, ... | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID), Fox III, D, Dranow, D.M, Lorimer, D.D, Edwards, T.E. | Deposit date: | 2015-05-03 | Release date: | 2015-05-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents. Nat Commun, 10, 2019
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6U94
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![BU of 6u94 by Molmil](/molmil-images/mine/6u94) | Structure of RND efflux system, outer membrane lipoprotein, NodT family from Burkholderia mallei ATCC 23344 | Descriptor: | GLYCEROL, RND efflux system, outer membrane lipoprotein, ... | Authors: | Horanyi, P.S, Fox III, D, Abendroth, J, Lorimer, D, Edwards, T, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2019-09-06 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure of RND efflux system, outer membrane lipoprotein, NodT family from Burkholderia mallei ATCC 23344 To Be Published
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5IFI
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![BU of 5ifi by Molmil](/molmil-images/mine/5ifi) | CRYSTAL STRUCTURE OF ACETYL-COA SYNTHETASE IN COMPLEX WITH ADENOSINE-5'-PROPYLPHOSPHATE FROM CRYPTOCOCCUS NEOFORMANS H99 | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-MONOPHOSPHATE-PROPYL ESTER, Acetyl-coenzyme A synthetase, ... | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID), SSGCID, Fox III, D, Edwards, T.E, Lorimer, D.D, Mutz, M.W. | Deposit date: | 2016-02-26 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of Acetyl-CoA Synthetase in complex with Adenosine-5'-propylphosphate from Cryptococcus neoformans H99 To Be Published
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5K85
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![BU of 5k85 by Molmil](/molmil-images/mine/5k85) | Crystal Structure of Acetyl-CoA Synthetase in Complex with Adenosine-5'-propylphosphate and Coenzyme A from Cryptococcus neoformans H99 | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-MONOPHOSPHATE-PROPYL ESTER, Acetyl-coenzyme A synthetase, ... | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID), Fox III, D, Delker, S.L, Potts, K.T, Lorimer, D.D, Edwards, T.E, Mutz, M.W, SSGCID | Deposit date: | 2016-05-27 | Release date: | 2016-08-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | CRYSTAL STRUCTURE OF ACETYL-COA SYNTHETASE IN COMPLEX WITH ADENOSINE-5'-PROPYLPHOSPHATE AND COENZYME A FROM CRYPTOCOCCUS NEOFORMANS H99 To Be Published
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5K8F
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![BU of 5k8f by Molmil](/molmil-images/mine/5k8f) | Crystal structure of Acetyl-CoA Synthetase in complex with ATP and Acetyl-AMP from Cryptococcus neoformans H99 | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Acetyl-coenzyme A synthetase, ... | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID), Fox III, D, Delker, S.L, Potts, K.T, Lorimer, D.D, Edwards, T.E, Mutz, M.W. | Deposit date: | 2016-05-30 | Release date: | 2016-07-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structure of Acetyl-CoA Synthetase in complex with ATP and Acetyl-AMP from Cryptococcus neoformans H99 To Be Published
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5U2A
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5U29
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![BU of 5u29 by Molmil](/molmil-images/mine/5u29) | Crystal structure of Cryptococcus neoformans H99 Acetyl-CoA Synthetase in complex with Ac-AMS | Descriptor: | 1,2-ETHANEDIOL, 5'-O-(acetylsulfamoyl)adenosine, Acetyl-coenzyme A synthetase, ... | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID), Fox III, D, Edwards, T.E, Potts, K.T, Taylor, B.M. | Deposit date: | 2016-11-30 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of Cryptococcus neoformans H99 Acetyl-CoA Synthetase in complex with Ac-AMS To Be Published
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4U83
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7U0U
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![BU of 7u0u by Molmil](/molmil-images/mine/7u0u) | Crystal Structure of a Aspergillus fumigatus Calcineurin A - Calcineurin B fusion bound to FKBP12 and FK-506 | Descriptor: | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, PHOSPHATE ION, ... | Authors: | Fox III, D, Abendroth, J, DeBouver, N.D, Hoy, M.J, Heitman, J, Lorimer, D.D, Horanyi, P.S, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2022-02-18 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Guided Synthesis of FK506 and FK520 Analogs with Increased Selectivity Exhibit In Vivo Therapeutic Efficacy against Cryptococcus. Mbio, 13, 2022
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7U0T
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![BU of 7u0t by Molmil](/molmil-images/mine/7u0t) | Crystal Structure of a human Calcineurin A - Calcineurin B fusion bound to FKBP12 and FK-520 | Descriptor: | (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,22R,26aS)-8-ethyl-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Fox III, D, Mayclin, S.J, DeBouver, N.D, Hoy, M.J, Heitman, J, Lorimer, D.D, Horanyi, P.S, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2022-02-18 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure-Guided Synthesis of FK506 and FK520 Analogs with Increased Selectivity Exhibit In Vivo Therapeutic Efficacy against Cryptococcus. Mbio, 13, 2022
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6C97
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![BU of 6c97 by Molmil](/molmil-images/mine/6c97) | 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
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6C98
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![BU of 6c98 by Molmil](/molmil-images/mine/6c98) | Crystal structure of FcRn bound to UCB-84 | Descriptor: | 1-[7-(3-fluorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one, Beta-2-microglobulin, CYSTEINE, ... | Authors: | Fox III, D, Lukacs, C.M. | Deposit date: | 2018-01-25 | Release date: | 2018-05-30 | Method: | X-RAY DIFFRACTION (1.85 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
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6C99
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![BU of 6c99 by Molmil](/molmil-images/mine/6c99) | Crystal structure of FcRn bound to UCB-303 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, CITRIC ACID, ... | Authors: | Fox III, D, Abendroth, J, Porter, J, Deboves, H. | Deposit date: | 2018-01-25 | Release date: | 2018-05-30 | Last modified: | 2020-07-29 | 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
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