4TV6
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7R48
| Bovine complex I in the presence of IM1761092, deactive class iv (Composite map) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ... | Authors: | Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J. | Deposit date: | 2022-02-08 | Release date: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides. Science, 379, 2023
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6DF1
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7R47
| Bovine complex I in the presence of IM1761092, deactive class iii (Composite map) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ... | Authors: | Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J. | Deposit date: | 2022-02-08 | Release date: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides. Science, 379, 2023
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6OY4
| Crystal structure of complex between recombinant Der p 2.0103 and Fab fragment of 7A1 | Descriptor: | Der p 2 variant 3, Fab fragment of IgG, HEAVY CHAIN, ... | Authors: | Kapingidza, A.B, Offermann, L.R, Glesner, J, Wunschmann, S, Vailes, L.D, Chapman, M.D.C, Pomes, A, Chruszcz, M. | Deposit date: | 2019-05-14 | Release date: | 2019-08-28 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | A Human IgE Antibody Binding Site on Der p 2 for the Design of a Recombinant Allergen for Immunotherapy. J Immunol., 203, 2019
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7R4C
| Bovine complex I in the presence of IM1761092, deactive class v (Composite map) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ... | Authors: | Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J. | Deposit date: | 2022-02-08 | Release date: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides. Science, 379, 2023
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6VZC
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7R4F
| Bovine complex I in the presence of IM1761092, slack class i (Composite map) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ... | Authors: | Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J. | Deposit date: | 2022-02-08 | Release date: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides. Science, 379, 2023
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5JVJ
| C4-type pyruvate phosphate dikinase: different conformational states of the nucleotide binding domain in the dimer | Descriptor: | MAGNESIUM ION, PHOSPHOENOLPYRUVATE, Pyruvate, ... | Authors: | Minges, A, Hoeppner, A, Groth, G. | Deposit date: | 2016-05-11 | Release date: | 2017-04-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.898 Å) | Cite: | Structural intermediates and directionality of the swiveling motion of Pyruvate Phosphate Dikinase. Sci Rep, 7, 2017
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5JVN
| C3-type pyruvate phosphate dikinase: intermediate state of the central domain in the swiveling mechanism | Descriptor: | 2'-Bromo-2'-deoxyadenosine 5'-[beta,gamma-imide]triphosphoric acid, MAGNESIUM ION, PHOSPHOENOLPYRUVATE, ... | Authors: | Minges, A, Hoeppner, A, Groth, G. | Deposit date: | 2016-05-11 | Release date: | 2017-04-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural intermediates and directionality of the swiveling motion of Pyruvate Phosphate Dikinase. Sci Rep, 7, 2017
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4U4S
| Crystal structure of the GluA2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and BPAM25 at 1.90 A resolution. | Descriptor: | 4-ethyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide, ACETATE ION, CHLORIDE ION, ... | Authors: | Noerholm, A.B, Deva, T, Frydenvang, K, Kastrup, J.S. | Deposit date: | 2014-07-24 | Release date: | 2014-11-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Positive Allosteric Modulators of 2-Amino-3-(3-hydroxy-5-methylisoxazol-4-yl)propionic Acid Receptors Belonging to 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-pyridothiadiazine Dioxides and Diversely Chloro-Substituted 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides. J.Med.Chem., 57, 2014
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7R4G
| Bovine complex I in the presence of IM1761092, slack class ii (Composite map) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ... | Authors: | Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J. | Deposit date: | 2022-02-08 | Release date: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides. Science, 379, 2023
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4U4X
| Crystal structure of the GluA2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and BPAM37 at 1.56 A resolution. | Descriptor: | 4-ethyl-3,4-dihydro-2H-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Noerholm, A.B, Frydenvang, K, Kastrup, J.S. | Deposit date: | 2014-07-24 | Release date: | 2014-11-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Positive Allosteric Modulators of 2-Amino-3-(3-hydroxy-5-methylisoxazol-4-yl)propionic Acid Receptors Belonging to 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-pyridothiadiazine Dioxides and Diversely Chloro-Substituted 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides. J.Med.Chem., 57, 2014
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6O8Q
| HUaa 19bp SYM DNA pH 4.5 | Descriptor: | DNA (57-MER), DNA-binding protein HU-alpha | Authors: | Remesh, S.G, Hammel, M. | Deposit date: | 2019-03-11 | Release date: | 2020-03-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.216 Å) | Cite: | Nucleoid remodeling during environmental adaptation is regulated by HU-dependent DNA bundling. Nat Commun, 11, 2020
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6WYE
| Crystal structure of Neisseria gonorrhoeae serine acetyltransferase (CysE) | Descriptor: | (2S)-2-hydroxybutanedioic acid, SODIUM ION, Serine acetyltransferase | Authors: | Hicks, J.L, Oldham, K.E, Summers, E.L, Prentice, E.J. | Deposit date: | 2020-05-12 | Release date: | 2021-06-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Serine acetyltransferase from Neisseria gonorrhoeae; structural and biochemical basis of inhibition. Biochem.J., 479, 2022
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6OBM
| Ricin A chain bound to VHH antibody V6A7 | Descriptor: | CHLORIDE ION, Ricin A chain, VHH antibody V6A7 | Authors: | Rudolph, M.J. | Deposit date: | 2019-03-21 | Release date: | 2020-04-01 | Last modified: | 2020-10-14 | Method: | X-RAY DIFFRACTION (2.495 Å) | Cite: | Intracellular Neutralization of Ricin Toxin by Single-domain Antibodies Targeting the Active Site. J.Mol.Biol., 432, 2020
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5KLN
| Crystal structure of 2-aminomuconate 6-semialdehyde dehydrogenase N169A in complex with NAD+ | Descriptor: | 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION | Authors: | Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A. | Deposit date: | 2016-06-24 | Release date: | 2016-11-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.992 Å) | Cite: | A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism. J.Biol.Chem., 291, 2016
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5KLK
| Crystal structure of 2-aminomuconate 6-semialdehyde dehydrogenase N169D in complex with NAD+ and 2-hydroxymuconate-6-semialdehyde | Descriptor: | (2E,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid, 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A. | Deposit date: | 2016-06-24 | Release date: | 2016-11-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.006 Å) | Cite: | A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism. J.Biol.Chem., 291, 2016
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6OCA
| Ricin A chain bound to VHH antibody V2G10 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Ricin A chain, ... | Authors: | Rudolph, M.J. | Deposit date: | 2019-03-22 | Release date: | 2020-04-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.113 Å) | Cite: | Intracellular Neutralization of Ricin Toxin by Single-domain Antibodies Targeting the Active Site. J.Mol.Biol., 432, 2020
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4TV5
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6B83
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5L31
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6BBZ
| Room temperature neutron/X-ray structure of sisomicin bound AAC-VIa | Descriptor: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, AAC 3-VI protein, MAGNESIUM ION | Authors: | Cuneo, M.J, Kumar, P. | Deposit date: | 2017-10-20 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION | Cite: | A low-barrier hydrogen bond mediates antibiotic resistance in a noncanonical catalytic triad. Sci Adv, 4, 2018
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6BC4
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4RWN
| Crystal structure of the pre-reactive state of porcine OAS1 | Descriptor: | 2'-5'-oligoadenylate synthase 1, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, ... | Authors: | Lohoefener, J, Steinke, N, Kay-Fedorov, P, Baruch, P, Nikulin, A, Tishchenko, S, Manstein, D.J, Fedorov, R. | Deposit date: | 2014-12-05 | Release date: | 2015-05-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Activation Mechanism of 2'-5'-Oligoadenylate Synthetase Gives New Insights Into OAS/cGAS Triggers of Innate Immunity. Structure, 23, 2015
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