6CYQ
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![BU of 6cyq by Molmil](/molmil-images/mine/6cyq) | Crystal structure of CTX-M-14 S70G/N106S beta-lactamase in complex with hydrolyzed cefotaxime | Descriptor: | (2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro -2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, GLYCEROL | Authors: | Patel, M.P, Hu, L, Sankaran, B, Brown, C, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2018-04-06 | Release date: | 2018-10-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Synergistic effects of functionally distinct substitutions in beta-lactamase variants shed light on the evolution of bacterial drug resistance. J. Biol. Chem., 293, 2018
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6CYU
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![BU of 6cyu by Molmil](/molmil-images/mine/6cyu) | Crystal structure of CTX-M-14 S70G/N106S/D240G beta-lactamase in complex with hydrolyzed cefotaxime | Descriptor: | (2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro -2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase | Authors: | Patel, M.P, Hu, L, Sankaran, B, Brown, C, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2018-04-06 | Release date: | 2018-10-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Synergistic effects of functionally distinct substitutions in beta-lactamase variants shed light on the evolution of bacterial drug resistance. J. Biol. Chem., 293, 2018
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6CYK
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![BU of 6cyk by Molmil](/molmil-images/mine/6cyk) | CTX-M-14 N106S mutant | Descriptor: | ACETATE ION, Beta-lactamase | Authors: | Patel, M.P, Hu, L, Sankaran, B, Brown, C, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2018-04-06 | Release date: | 2018-10-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Synergistic effects of functionally distinct substitutions in beta-lactamase variants shed light on the evolution of bacterial drug resistance. J. Biol. Chem., 293, 2018
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6CYN
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![BU of 6cyn by Molmil](/molmil-images/mine/6cyn) | CTX-M-14 N106S/D240G mutant | Descriptor: | Beta-lactamase | Authors: | Patel, M.P, Hu, L, Sankaran, B, Brown, C, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2018-04-06 | Release date: | 2018-10-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Synergistic effects of functionally distinct substitutions in beta-lactamase variants shed light on the evolution of bacterial drug resistance. J. Biol. Chem., 293, 2018
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2KZA
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![BU of 2kza by Molmil](/molmil-images/mine/2kza) | Solution structure of ASIP(80-132, P103A, P105A, Q115Y, S124Y) | Descriptor: | Agouti-signaling protein | Authors: | Patel, M.P, Cribb Fabersunne, C.S, Yang, Y, Kaelin, C.B, Barsh, G.S, Millhauser, G.L. | Deposit date: | 2010-06-14 | Release date: | 2010-07-21 | Last modified: | 2020-02-05 | Method: | SOLUTION NMR | Cite: | Loop-swapped chimeras of the agouti-related protein and the agouti signaling protein identify contacts required for melanocortin 1 receptor selectivity and antagonism. J.Mol.Biol., 404, 2010
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2L1J
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![BU of 2l1j by Molmil](/molmil-images/mine/2l1j) | 1H assignments for ASIP(93-126, P103A, P105A, P111A, Q115Y, S124Y) | Descriptor: | Agouti-signaling protein | Authors: | Patel, M.P, Cribb Fabersunne, C.S, Yang, Y, Kaelin, C.B, Barsh, G.S, Millhauser, G.L. | Deposit date: | 2010-07-28 | Release date: | 2010-09-01 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | Loop-swapped chimeras of the agouti-related protein and the agouti signaling protein identify contacts required for melanocortin 1 receptor selectivity and antagonism. J.Mol.Biol., 404, 2010
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5TWD
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![BU of 5twd by Molmil](/molmil-images/mine/5twd) | CTX-M-14 P167S apoenzyme | Descriptor: | Beta-lactamase | Authors: | Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2016-11-12 | Release date: | 2017-06-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation. Biochemistry, 56, 2017
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5TWE
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![BU of 5twe by Molmil](/molmil-images/mine/5twe) | CTX-M-14 P167S:S70G mutant enzyme crystallized with ceftazidime | Descriptor: | ACYLATED CEFTAZIDIME, Beta-lactamase | Authors: | Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2016-11-12 | Release date: | 2017-06-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation. Biochemistry, 56, 2017
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5VTH
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![BU of 5vth by Molmil](/molmil-images/mine/5vth) | CTX-M-14 P167S:E166A mutant | Descriptor: | Beta-lactamase | Authors: | Hu, L, Patel, M, Sankaran, B, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2017-05-17 | Release date: | 2017-06-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation. Biochemistry, 56, 2017
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5TW6
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![BU of 5tw6 by Molmil](/molmil-images/mine/5tw6) | CTX-M-14 P167S:E166A mutant with acylated ceftazidime molecule | Descriptor: | 1,2-ETHANEDIOL, ACYLATED CEFTAZIDIME, Beta-lactamase | Authors: | Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2016-11-11 | Release date: | 2017-06-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation. Biochemistry, 56, 2017
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5U53
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![BU of 5u53 by Molmil](/molmil-images/mine/5u53) | CTX-M-14 E166A with acylated ceftazidime molecule | Descriptor: | ACYLATED CEFTAZIDIME, Beta-lactamase, NITRATE ION | Authors: | Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2016-12-06 | Release date: | 2017-06-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation. Biochemistry, 56, 2017
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5E83
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![BU of 5e83 by Molmil](/molmil-images/mine/5e83) | CRYSTAL STRUCTURE OF CARBONMONOXY HEMOGLOBIN S (LIGANDED SICKLE CELL HEMOGLOBIN) COMPLEXED WITH GBT440, CO-CRYSTALLIZATION EXPERIMENT | Descriptor: | 2-methyl-3-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)phenol, CARBON MONOXIDE, GLYCEROL, ... | Authors: | Patskovska, L, Patskovsky, Y, Bonanno, J.B, Almo, S.C. | Deposit date: | 2015-10-13 | Release date: | 2016-07-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | GBT440 increases haemoglobin oxygen affinity, reduces sickling and prolongs RBC half-life in a murine model of sickle cell disease. Br.J.Haematol., 175, 2016
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6V6G
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![BU of 6v6g by Molmil](/molmil-images/mine/6v6g) | Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase | Descriptor: | Beta-lactamase, DI(HYDROXYETHYL)ETHER, SODIUM ION | Authors: | Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | Deposit date: | 2019-12-05 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance. J.Biol.Chem., 295, 2020
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6V6P
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![BU of 6v6p by Molmil](/molmil-images/mine/6v6p) | Crystal structure of CTX-M-14 E166A/D240G beta-lactamase | Descriptor: | Beta-lactamase, DI(HYDROXYETHYL)ETHER, SULFATE ION | Authors: | Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | Deposit date: | 2019-12-05 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance. J.Biol.Chem., 295, 2020
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6V8V
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![BU of 6v8v by Molmil](/molmil-images/mine/6v8v) | Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase in complex with ceftazidime-2 | Descriptor: | ACYLATED CEFTAZIDIME, Beta-lactamase | Authors: | Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | Deposit date: | 2019-12-12 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance. J.Biol.Chem., 295, 2020
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6V83
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![BU of 6v83 by Molmil](/molmil-images/mine/6v83) | Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase in complex with ceftazidime-1 | Descriptor: | ACYLATED CEFTAZIDIME, Beta-lactamase | Authors: | Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | Deposit date: | 2019-12-10 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance. J.Biol.Chem., 295, 2020
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6V5E
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![BU of 6v5e by Molmil](/molmil-images/mine/6v5e) | Crystal structure of CTX-M-14 P167S/D240G beta-lactamase | Descriptor: | Beta-lactamase | Authors: | Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | Deposit date: | 2019-12-04 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance. J.Biol.Chem., 295, 2020
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6V7T
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![BU of 6v7t by Molmil](/molmil-images/mine/6v7t) | Crystal structure of CTX-M-14 E166A/D240G beta-lactamase in complex with ceftazidime | Descriptor: | ACYLATED CEFTAZIDIME, Beta-lactamase | Authors: | Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | Deposit date: | 2019-12-09 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance. J.Biol.Chem., 295, 2020
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5UFJ
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![BU of 5ufj by Molmil](/molmil-images/mine/5ufj) | Crystal Structure of Carbonmonoxy Hemoglobin S (Liganded Sickle Cell Hemoglobin) Complexed with GBT Compound 6 | Descriptor: | 5-[(imidazo[1,2-a]pyridin-8-yl)methoxy]-2-methoxypyridine-4-carbaldehyde, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | Authors: | Partridge, J.R, Choy, R.M, Li, Z, Metcalf, B. | Deposit date: | 2017-01-04 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin. ACS Med Chem Lett, 8, 2017
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5U3I
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![BU of 5u3i by Molmil](/molmil-images/mine/5u3i) | CRYSTAL STRUCTURE OF CARBONMONOXY HEMOGLOBIN S (LIGANDED SICKLE CELL HEMOGLOBIN) COMPLEXED WITH GBT compound 31 | Descriptor: | 2-methoxy-5-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)pyridine-4-carbaldehyde, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | Authors: | Partridge, J.R, Choy, R.M, Li, Z, Metcalf, B. | Deposit date: | 2016-12-02 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin. ACS Med Chem Lett, 8, 2017
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