8E48
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![BU of 8e48 by Molmil](/molmil-images/mine/8e48) | E. coli 50S ribosome bound to antibiotic analog SLC30 | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L15, ... | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | Deposit date: | 2022-08-17 | Release date: | 2023-06-28 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.27 Å) | Cite: | SLC collection of antibiotic analogs To Be Published
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4KJL
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![BU of 4kjl by Molmil](/molmil-images/mine/4kjl) | Room Temperature N23PPS148A DHFR | Descriptor: | Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | van den Bedem, H, Bhabha, G, Yang, K, Wright, P.E, Fraser, J.S. | Deposit date: | 2013-05-03 | Release date: | 2013-08-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Automated identification of functional dynamic contact networks from X-ray crystallography. Nat.Methods, 10, 2013
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4KJJ
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![BU of 4kjj by Molmil](/molmil-images/mine/4kjj) | Cryogenic WT DHFR | Descriptor: | Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | van den Bedem, H, Bhabha, G, Yang, K, Wright, P.E, Fraser, J.S. | Deposit date: | 2013-05-03 | Release date: | 2013-08-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Automated identification of functional dynamic contact networks from X-ray crystallography. Nat.Methods, 10, 2013
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4KJK
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![BU of 4kjk by Molmil](/molmil-images/mine/4kjk) | Room Temperature WT DHFR | Descriptor: | CALCIUM ION, Dihydrofolate reductase, FOLIC ACID, ... | Authors: | van den Bedem, H, Bhabha, G, Yang, K, Wright, P.E, Fraser, J.S. | Deposit date: | 2013-05-03 | Release date: | 2013-08-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.351 Å) | Cite: | Automated identification of functional dynamic contact networks from X-ray crystallography. Nat.Methods, 10, 2013
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6X3C
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![BU of 6x3c by Molmil](/molmil-images/mine/6x3c) | Crystal structure of streptogramin A acetyltransferase VatA from Staphylococcus aureus in complex with streptogramin analog F1037 (47) | Descriptor: | (3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Chaires, H.A, Fraser, J.S. | Deposit date: | 2020-05-21 | Release date: | 2020-11-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Synthetic group A streptogramin antibiotics that overcome Vat resistance. Nature, 586, 2020
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6X3J
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![BU of 6x3j by Molmil](/molmil-images/mine/6x3j) | Crystal structure of streptogramin A acetyltransferase VatA from Staphylococcus aureus in complex with streptogramin analog F0224 (46) | Descriptor: | (2R)-2-[(3S,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Chaires, H.A, Fraser, J.S. | Deposit date: | 2020-05-21 | Release date: | 2020-11-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Synthetic group A streptogramin antibiotics that overcome Vat resistance. Nature, 586, 2020
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6W90
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![BU of 6w90 by Molmil](/molmil-images/mine/6w90) | De novo designed NTF2 fold protein NT-9 | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, NTF2 fold protein loop-helix-loop design NT-9 | Authors: | Thompson, M.C, Pan, X, Liu, L, Fraser, J.S, Kortemme, T. | Deposit date: | 2020-03-21 | Release date: | 2020-08-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Expanding the space of protein geometries by computational design of de novo fold families. Science, 369, 2020
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6OB5
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![BU of 6ob5 by Molmil](/molmil-images/mine/6ob5) | Computationally-designed, modular sense/response system (S3-2D) | Descriptor: | Ankyrin Repeat Domain (AR), S3-2D variant, FARNESYL DIPHOSPHATE, ... | Authors: | Thompson, M.C, Glasgow, A.A, Huang, Y.M, Fraser, J.S, Kortemme, T. | Deposit date: | 2019-03-19 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.208 Å) | Cite: | Computational design of a modular protein sense-response system. Science, 366, 2019
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8SH8
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![BU of 8sh8 by Molmil](/molmil-images/mine/8sh8) | Crystal structure of SARS-CoV-2 NSP3 macrodomain Asn40Asp mutant in complex with ADP-ribose (P43 crystal form) | Descriptor: | Papain-like protease nsp3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | Authors: | Correy, G.J, Fraser, J.S. | Deposit date: | 2023-04-13 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Crystal structure of SARS-CoV-2 NSP3 macrodomain Asn40Asp mutant in complex with ADP-ribose (P43 crystal form) To Be Published
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8SH6
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![BU of 8sh6 by Molmil](/molmil-images/mine/8sh6) | |
8SOV
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![BU of 8sov by Molmil](/molmil-images/mine/8sov) | Proteinase K Multiconformer Model at 353K | Descriptor: | ALA-ALA-ALA-SER-VAL-LYS, CALCIUM ION, Proteinase K, ... | Authors: | Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S. | Deposit date: | 2023-04-30 | Release date: | 2023-08-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.291 Å) | Cite: | Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data. Methods Enzymol., 688, 2023
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8SPL
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![BU of 8spl by Molmil](/molmil-images/mine/8spl) | Proteinase K Multiconformer Model at 343K | Descriptor: | ALA-ALA-ALA-SER-VAL-LYS, CALCIUM ION, Proteinase K, ... | Authors: | Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S. | Deposit date: | 2023-05-03 | Release date: | 2023-08-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data. Methods Enzymol., 688, 2023
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8SOU
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![BU of 8sou by Molmil](/molmil-images/mine/8sou) | Proteinase K Multiconformer Model at 363K | Descriptor: | ALA-ALA-ALA-SER-VAL-LYS, CALCIUM ION, Proteinase K, ... | Authors: | Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S. | Deposit date: | 2023-04-30 | Release date: | 2023-08-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data. Methods Enzymol., 688, 2023
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8SQV
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![BU of 8sqv by Molmil](/molmil-images/mine/8sqv) | Proteinase K Multiconformer Model at 333K | Descriptor: | CALCIUM ION, Proteinase K, SULFATE ION | Authors: | Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S. | Deposit date: | 2023-05-04 | Release date: | 2023-08-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data. Methods Enzymol., 688, 2023
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8SOG
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![BU of 8sog by Molmil](/molmil-images/mine/8sog) | Proteinase K Multiconformer Model at 313K | Descriptor: | CALCIUM ION, Proteinase K, SULFATE ION | Authors: | Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S. | Deposit date: | 2023-04-28 | Release date: | 2023-08-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data. Methods Enzymol., 688, 2023
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3J9J
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![BU of 3j9j by Molmil](/molmil-images/mine/3j9j) | Structure of the capsaicin receptor, TRPV1, determined by single particle electron cryo-microscopy | Descriptor: | Transient receptor potential cation channel subfamily V member 1 | Authors: | Wang, R.Y.-R, Barad, B.A, Fraser, J.S, DiMaio, F. | Deposit date: | 2015-02-02 | Release date: | 2015-09-02 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.275 Å) | Cite: | EMRinger: side chain-directed model and map validation for 3D cryo-electron microscopy. Nat.Methods, 12, 2015
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4XV5
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![BU of 4xv5 by Molmil](/molmil-images/mine/4xv5) | CcP gateless cavity | Descriptor: | BENZIMIDAZOLE, Cytochrome c peroxidase, mitochondrial, ... | Authors: | Fischer, M, Fraser, J.S. | Deposit date: | 2015-01-26 | Release date: | 2015-02-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites. Chembiochem, 16, 2015
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4XV7
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![BU of 4xv7 by Molmil](/molmil-images/mine/4xv7) | CcP gateless cavity | Descriptor: | Cytochrome c peroxidase, mitochondrial, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Fischer, M, Fraser, J.S. | Deposit date: | 2015-01-26 | Release date: | 2015-02-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites. Chembiochem, 16, 2015
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4XV8
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![BU of 4xv8 by Molmil](/molmil-images/mine/4xv8) | CcP gateless cavity | Descriptor: | BENZAMIDINE, Cytochrome c peroxidase, mitochondrial, ... | Authors: | Fischer, M, Fraser, J.S. | Deposit date: | 2015-01-26 | Release date: | 2015-02-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites. Chembiochem, 16, 2015
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4XV6
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![BU of 4xv6 by Molmil](/molmil-images/mine/4xv6) | CcP gateless cavity | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, mitochondrial, ... | Authors: | Fischer, M, Fraser, J.S. | Deposit date: | 2015-01-26 | Release date: | 2015-02-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites. Chembiochem, 16, 2015
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4XVA
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![BU of 4xva by Molmil](/molmil-images/mine/4xva) | Crystal structure of wild type cytochrome c peroxidase | Descriptor: | BENZIMIDAZOLE, Cytochrome c peroxidase, mitochondrial, ... | Authors: | Fischer, M, Fraser, J.S. | Deposit date: | 2015-01-26 | Release date: | 2015-02-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites. Chembiochem, 16, 2015
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4XV4
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![BU of 4xv4 by Molmil](/molmil-images/mine/4xv4) | CcP gateless cavity | Descriptor: | 2-AMINO-5-METHYLTHIAZOLE, Cytochrome c peroxidase, mitochondrial, ... | Authors: | Fischer, M, Fraser, J.S. | Deposit date: | 2015-01-26 | Release date: | 2015-02-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites. Chembiochem, 16, 2015
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7KC5
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![BU of 7kc5 by Molmil](/molmil-images/mine/7kc5) | X-ray structure of Lfa-1 I domain in complex with BMS-68852 collected at 273 K | Descriptor: | 6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid, Integrin alpha-L, MAGNESIUM ION | Authors: | Woldeyes, R.A, Hallenbeck, K.K, Pfaff, S.J, Lee, G, Cortez, S.V, Kelly, M.J, Akassoglou, K, Arkin, M.R, Fraser, J.S. | Deposit date: | 2020-10-05 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Divergent conformational dynamics controls allosteric ligand accessibility across evolutionarily related I-domain-containing integrins To Be Published
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7KC3
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![BU of 7kc3 by Molmil](/molmil-images/mine/7kc3) | X-ray structure of Lfa-1 I domain collected at 273 K | Descriptor: | Integrin alpha-L, MAGNESIUM ION | Authors: | Woldeyes, R.A, Hallenbeck, K.K, Pfaff, S.J, Lee, G, Cortez, S.V, Kelly, M.J, Akassoglou, K, Arkin, M.R, Fraser, J.S. | Deposit date: | 2020-10-05 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Divergent conformational dynamics controls allosteric ligand accessibility across evolutionarily related I-domain-containing integrins To Be Published
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7KC6
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![BU of 7kc6 by Molmil](/molmil-images/mine/7kc6) | X-ray structure of Lfa-1 I domain in complex with Lovastatin collected at 273 K | Descriptor: | Integrin alpha-L, LOVASTATIN, MAGNESIUM ION | Authors: | Woldeyes, R.A, Hallenbeck, K.K, Pfaff, S.J, Lee, G, Cortez, S.V, Kelly, M.J, Akassoglou, K, Arkin, M.R, Fraser, J.S. | Deposit date: | 2020-10-05 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Divergent conformational dynamics controls allosteric ligand accessibility across evolutionarily related I-domain-containing integrins To Be Published
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