3KCL
 
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7X0F
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7X0E
 | | Structure of Pseudomonas NRPS protein, AmbB-TC in apo form | | Descriptor: | AMB antimetabolite synthase AmbB, N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexyl]nonanamide | | Authors: | ChuYuanKee, M, Bharath, S.R, Song, H. | | Deposit date: | 2022-02-22 | | Release date: | 2022-07-06 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural insights into the substrate-bound condensation domains of non-ribosomal peptide synthetase AmbB.
Sci Rep, 12, 2022
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3KCO
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4PZW
 | | Synthesis, Characterization and PK/PD Studies of a Series of Spirocyclic Pyranochromene BACE1 Inhibitors | | Descriptor: | (4R,4a'S,10a'S)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'H-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine, Beta-secretase 1, NICKEL (II) ION | | Authors: | Vigers, G.P.A. | | Deposit date: | 2014-03-31 | | Release date: | 2014-05-14 | | Last modified: | 2014-10-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Synthesis, characterization, and PK/PD studies of a series of spirocyclic pyranochromene BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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5O4C
 | | From macrocrystals to microcrystals: a strategy for membrane protein serial crystallography | | Descriptor: | 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ... | | Authors: | Dods, R, Baath, P, Branden, G, Neutze, R. | | Deposit date: | 2017-05-28 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | From Macrocrystals to Microcrystals: A Strategy for Membrane Protein Serial Crystallography.
Structure, 25, 2017
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3JXS
 | | Crystal structure of XG34, an evolved xyloglucan binding CBM | | Descriptor: | ACETATE ION, CALCIUM ION, Xylanase | | Authors: | Divne, C, Tan, T.-C, Brumer, H, Gullfot, F. | | Deposit date: | 2009-09-21 | | Release date: | 2009-10-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The crystal structure of XG-34, an evolved xyloglucan-specific carbohydrate-binding module.
Proteins, 78, 2009
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7X17
 | | Structure of Pseudomonas NRPS protein, AmbB-TC bound to Ppant-L-Ala | | Descriptor: | AMB antimetabolite synthase AmbB, S-[2-[3-[[(2S)-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (2R)-2-azanylpropanethioate | | Authors: | ChuYuanKee, M, Bharath, S.R, Song, H. | | Deposit date: | 2022-02-23 | | Release date: | 2022-07-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insights into the substrate-bound condensation domains of non-ribosomal peptide synthetase AmbB.
Sci Rep, 12, 2022
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7Y8O
 | | Structure of ScIRED-R3-V4 from Streptomyces clavuligerus in complex with 5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole | | Descriptor: | 2-[2,5-bis(fluoranyl)phenyl]pyrrolidine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SciR | | Authors: | Zhang, L.L, Liu, W.D, Shi, M, Huang, J.W, Yang, Y, Chen, C.C, Guo, R.T. | | Deposit date: | 2022-06-24 | | Release date: | 2023-03-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of ScIRED-R3-V4 from Streptomyces clavuligerus in complex with 5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole
to be published
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7W4M
 | | Deactive state CI from Q1-NADH dataset, Subclass 4 | | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | Authors: | Gu, J, Yang, M. | | Deposit date: | 2021-11-28 | | Release date: | 2023-01-25 | | Last modified: | 2023-06-28 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
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7W4L
 | | Deactive state CI from Q1-NADH dataset, Subclass 3 | | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | Authors: | Gu, J, Yang, M. | | Deposit date: | 2021-11-28 | | Release date: | 2023-01-25 | | Last modified: | 2023-06-28 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
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7W4G
 | | Active state CI from Q1-NADH dataset, Subclass 5 | | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | Authors: | Gu, J, Yang, M. | | Deposit date: | 2021-11-27 | | Release date: | 2023-01-25 | | Last modified: | 2023-06-28 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
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7W1Z
 | | Active state CI from Rotenone-NADH dataset, Subclass 2 | | Descriptor: | (2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one, (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | | Authors: | Gu, J.K, Yang, M.J. | | Deposit date: | 2021-11-21 | | Release date: | 2023-01-18 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
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7W2K
 | | Deactive state CI from Rotenone-NADH dataset, Subclass 1 | | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | Authors: | Gu, J.K, Yang, M.J. | | Deposit date: | 2021-11-24 | | Release date: | 2023-01-25 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
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7W4F
 | | Active state CI from Q1-NADH dataset, Subclass 4 | | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | Authors: | Gu, J, Yang, M. | | Deposit date: | 2021-11-27 | | Release date: | 2023-01-25 | | Last modified: | 2023-06-28 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
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7W4N
 | | Deactive state CI from Q1-NADH dataset, Subclass 5 | | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | Authors: | Gu, J, Yang, M. | | Deposit date: | 2021-11-28 | | Release date: | 2023-01-25 | | Last modified: | 2023-06-28 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
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7W4K
 | | Deactive state CI from Q1-NADH dataset, Subclass 2 | | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | Authors: | Gu, J, Yang, M. | | Deposit date: | 2021-11-28 | | Release date: | 2023-01-25 | | Last modified: | 2023-06-28 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
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7W1V
 | | Active state CI from Rotenone-NADH dataset, Subclass 1 | | Descriptor: | (2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one, (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | | Authors: | Gu, J.K, Yang, M.J. | | Deposit date: | 2021-11-20 | | Release date: | 2023-01-18 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
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7W4Q
 | | Deactive state CI from Q1-NADH dataset, Subclass 6 | | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | Authors: | Gu, J, Yang, M. | | Deposit date: | 2021-11-28 | | Release date: | 2023-01-25 | | Last modified: | 2023-06-28 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
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7W4J
 | | Deactive state CI from Q1-NADH dataset, Subclass 1 | | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | Authors: | Gu, J, Yang, M. | | Deposit date: | 2021-11-28 | | Release date: | 2023-01-25 | | Last modified: | 2023-06-28 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
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7W2U
 | | Active state CI from DQ-NADH dataset, Subclass 2 | | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | Authors: | Gu, J.K, Yang, M.J. | | Deposit date: | 2021-11-24 | | Release date: | 2023-02-01 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
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7W31
 | | Deactive state CI from DQ-NADH dataset, Subclass 1 | | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | Authors: | Gu, J.K, Yang, M.J. | | Deposit date: | 2021-11-24 | | Release date: | 2023-02-01 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
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7W32
 | | Deactive state CI from DQ-NADH dataset, Subclass 2 | | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | Authors: | Gu, J.K, Yang, M.J. | | Deposit date: | 2021-11-24 | | Release date: | 2023-02-01 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
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7W4D
 | | Active state CI from Q1-NADH dataset, Subclass 2 | | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | Authors: | Gu, J.K, Yang, M.J. | | Deposit date: | 2021-11-27 | | Release date: | 2023-02-01 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
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2PKY
 | | The Effect of Deuteration on Protein Structure A High Resolution Comparison of Hydrogenous and Perdeuterated Haloalkane Dehalogenase | | Descriptor: | Haloalkane dehalogenase | | Authors: | Liu, X, Hanson, L, Langan, P, Viola, R.E. | | Deposit date: | 2007-04-18 | | Release date: | 2007-09-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The effect of deuteration on protein structure: a high-resolution comparison of hydrogenous and perdeuterated haloalkane dehalogenase.
Acta Crystallogr.,Sect.D, 63, 2007
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