7KYD
| Drosophila melanogaster long-chain fatty-acyl-CoA synthetase CG6178 | Descriptor: | 1,2-ETHANEDIOL, 5'-O-[(S)-hydroxy(octanoyloxy)phosphoryl]adenosine, Long-chain fatty-acyl-CoA synthetase CG6178 | Authors: | Adams, S.T, Zephyr, J, Bohn, M.F, Schiffer, C.A, Miller, S.C. | Deposit date: | 2020-12-07 | Release date: | 2022-01-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | FruitFire: a luciferase based on a fruit fly metabolic enzyme. Biorxiv, 2023
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7K8N
| Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment, C102 | Descriptor: | C102 Fab Heavy Chain, C102 Fab Light Chain, DI(HYDROXYETHYL)ETHER, ... | Authors: | Jette, C.A, Barnes, C.O, Bjorkman, P.J. | Deposit date: | 2020-09-27 | Release date: | 2020-10-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | SARS-CoV-2 neutralizing antibody structures inform therapeutic strategies. Nature, 588, 2020
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5TEI
| Structure of human ALDH1A1 with inhibitor CM039 | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, ... | Authors: | Morgan, C.A, Hurley, T.D. | Deposit date: | 2016-09-21 | Release date: | 2017-09-27 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of human ALDH1A1 with inhibitor CM039 To Be Published
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7JP2
| Crystal structure of TP0037 from Treponema pallidum, a D-lactate dehydrogenase | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, D-lactate dehydrogenase | Authors: | Brautigam, C.A, Deka, R.K, Norgard, M.V. | Deposit date: | 2020-08-07 | Release date: | 2020-09-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Biophysical and Biochemical Characterization of TP0037, a d-Lactate Dehydrogenase, Supports an Acetogenic Energy Conservation Pathway in Treponema pallidum. Mbio, 11, 2020
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5SZ9
| Structure-based design of a new series of N-piperidin-3-ylpyrimidine-5-carboxamides as renin inhibitors | Descriptor: | (azepan-1-yl)(2-{[(furan-2-yl)methyl]amino}-6-methylpyridin-3-yl)methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | Authors: | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.C, Lane, W. | Deposit date: | 2016-08-12 | Release date: | 2016-11-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure-based design of a new series of N-(piperidin-3-yl)pyrimidine-5-carboxamides as renin inhibitors. Bioorg.Med.Chem., 24, 2016
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5SY2
| Structure-based design of a new series of N-piperidin-3-ylpyrimidine-5-carboxamides as renin inhibitors | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, N-ethyl-4-{[(furan-2-yl)methyl]amino}-2-methyl-N-[(3S)-piperidin-3-yl]pyrimidine-5-carboxamide, ... | Authors: | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.C, Lane, W. | Deposit date: | 2016-08-10 | Release date: | 2016-11-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-based design of a new series of N-(piperidin-3-yl)pyrimidine-5-carboxamides as renin inhibitors. Bioorg.Med.Chem., 24, 2016
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5T39
| Crystal Structure of the N-terminal domain of EvdMO1 in the presence of SAH and D-fucose | Descriptor: | EvdMO1, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | McCulloch, K.M, Starbird, C.A, Chen, Q, Perry, N.A, Berndt, S, Yamakawa, I, Loukachevitch, L.V, Iverson, T.M. | Deposit date: | 2016-08-25 | Release date: | 2017-09-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.1004 Å) | Cite: | The Structure of the Bifunctional Everninomicin Biosynthetic Enzyme EvdMO1 Suggests Independent Activity of the Fused Methyltransferase-Oxidase Domains. Biochemistry, 57, 2018
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7K2T
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7K8R
| Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment, C135 | Descriptor: | C135 Fab Heavy Chain, C135 Fab Light Chain, GLYCEROL | Authors: | Jette, C.A, Barnes, C.O, Bjorkman, P.J. | Deposit date: | 2020-09-27 | Release date: | 2020-10-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | SARS-CoV-2 neutralizing antibody structures inform therapeutic strategies. Nature, 588, 2020
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7LNO
| Structure of apo-CDD-1 beta-lactamase in imidazole and MPD | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, SULFATE ION | Authors: | Smith, C.A, Vakulenko, S.B, Stewart, N.K. | Deposit date: | 2021-02-08 | Release date: | 2021-05-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases. Acs Infect Dis., 7, 2021
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7LNQ
| Structure of the avibactam-CDD-1 3 minute complex in imidazole and MPD | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ... | Authors: | Smith, C.A, Vakulenko, S.B, Stewart, N.K. | Deposit date: | 2021-02-08 | Release date: | 2021-05-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases. Acs Infect Dis., 7, 2021
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3RS6
| Crystal structure Dioclea virgata lectin in complexed with X-mannose | Descriptor: | 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CALCIUM ION, Lectin alpha chain, ... | Authors: | Gadelha, C.A.A, Santi-Gadelha, T, Nagano, C.S, Bezerra, E.H.S, Bezerra, M.J.B, Alencar, K.L, Silva-Filho, J.C. | Deposit date: | 2011-05-02 | Release date: | 2012-02-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of Dioclea virgata lectin: Relations between carbohydrate binding site and nitric oxide production. Biochimie, 94, 2012
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5SXN
| Structure-based design of a new series of N-piperidin-3-ylpyrimidine-5-carboxamides as renin inhibitors | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | Authors: | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.-C, Lane, W. | Deposit date: | 2016-08-09 | Release date: | 2016-11-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based design of a new series of N-(piperidin-3-yl)pyrimidine-5-carboxamides as renin inhibitors. Bioorg.Med.Chem., 24, 2016
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5T0V
| Architecture of the Yeast Mitochondrial Iron-Sulfur Cluster Assembly Machinery: the Sub-Complex Formed by the Iron Donor, Yfh1, and the Scaffold, Isu1 | Descriptor: | Frataxin homolog, mitochondrial, Iron sulfur cluster assembly protein 1 | Authors: | Ranatunga, W, Gakh, O, Galeano, B.K, Smith IV, D.Y, Soderberg, C.A, Al-Karadaghi, S, Thompson, J.R, Isaya, G. | Deposit date: | 2016-08-16 | Release date: | 2016-08-31 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (17.5 Å) | Cite: | Architecture of the Yeast Mitochondrial Iron-Sulfur Cluster Assembly Machinery: the Sub-Complex Formed by the Iron Donor, Yfh1, and the Scaffold, Isu1 J. Biol. Chem., 291, 2016
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7JX6
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7JU2
| Crystal structure of the monomeric ETV6 PNT domain | Descriptor: | FORMIC ACID, Transcription factor ETV6 | Authors: | Gerak, C.A.N, Kolesnikov, M, Murphy, M.E.P, McIntosh, L.P. | Deposit date: | 2020-08-19 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85002184 Å) | Cite: | Biophysical characterization of the ETV6 PNT domain polymerization interfaces. J.Biol.Chem., 296, 2021
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7K8M
| Structure of the SARS-CoV-2 receptor binding domain in complex with the human neutralizing antibody Fab fragment, C102 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C102 Fab Heavy Chain, C102 Fab Light Chain, ... | Authors: | Jette, C.A, Barnes, C.O, Bjorkman, P.J. | Deposit date: | 2020-09-27 | Release date: | 2020-10-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | SARS-CoV-2 neutralizing antibody structures inform therapeutic strategies. Nature, 588, 2020
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7K8O
| Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment, C002 | Descriptor: | C002 Fab Heavy Chain, C002 Fab Light Chain, GLYCEROL, ... | Authors: | Jette, C.A, Barnes, C.O, Bjorkman, P.J. | Deposit date: | 2020-09-27 | Release date: | 2020-10-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | SARS-CoV-2 neutralizing antibody structures inform therapeutic strategies. Nature, 588, 2020
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5U2P
| The crystal structure of Tp0737 from Treponema pallidum | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ... | Authors: | Brautigam, C.A, Deka, R.K, Tomchick, D.R, Norgard, M.V. | Deposit date: | 2016-11-30 | Release date: | 2017-02-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Functional clues from the crystal structure of an orphan periplasmic ligand-binding protein from Treponema pallidum. Protein Sci., 26, 2017
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7KYL
| Powassan virus Envelope protein DIII in complex with neutralizing Fab POWV-80 | Descriptor: | CHLORIDE ION, Envelope protein domain III, POWV-80 Fab heavy chain, ... | Authors: | Errico, J.M, Nelson, C.A, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-12-08 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Broadly neutralizing monoclonal antibodies protect against multiple tick-borne flaviviruses. J.Exp.Med., 218, 2021
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5FMG
| Structure and function based design of Plasmodium-selective proteasome inhibitors | Descriptor: | (2S)-N-[(E,2S)-1-(1H-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2S)-3-(1H-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide, BETA3 PROTEASOME SUBUNIT, PUTATIVE, ... | Authors: | Li, H, O'Donoghue, A.J, van der Linden, W.A, Xie, S.C, Yoo, E, Foe, I.T, Tilley, L, Craik, C.S, da Fonseca, P.C.A, Bogyo, M. | Deposit date: | 2015-11-04 | Release date: | 2016-03-02 | Last modified: | 2017-08-23 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure and Function Based Design of Plasmodium-Selective Proteasome Inhibitors Nature, 530, 2016
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7K34
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5TBD
| Crystal Structure of anti-MSP2 Fv fragment (mAb4D11) in complex with 3D7-MSP2 215-222 | Descriptor: | Fv fragment (mAb4D1) heavy chain, Merozoite surface protein 2 | Authors: | Seow, J, Morales, R.A.V, MacRaild, C.A, Bankala, K, Drinkwater, N, Dingjan, T, Jaipuria, G, Wilde, K, Anders, R.F, Atreya, H.S, Christ, D, McGowan, S, Norton, R.S. | Deposit date: | 2016-09-12 | Release date: | 2017-02-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and Characterisation of a Key Epitope in the Conserved C-Terminal Domain of the Malaria Vaccine Candidate MSP2. J. Mol. Biol., 429, 2017
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7LU6
| Crystal structure of the mouse Kirrel3 D1 homodimer | Descriptor: | Kin of IRRE-like protein 3, SODIUM ION | Authors: | Roman, C.A, Pak, J.S, Wang, J, Ozkan, E. | Deposit date: | 2021-02-21 | Release date: | 2021-11-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Molecular and structural basis of olfactory sensory neuron axon coalescence by Kirrel receptors. Cell Rep, 37, 2021
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7LTW
| Crystal structure of the mouse Kirrel2 D1 homodimer | Descriptor: | Kin of IRRE-like protein 2, SODIUM ION | Authors: | Roman, C.A, Pak, J.S, Wang, J, Ozkan, E. | Deposit date: | 2021-02-20 | Release date: | 2021-11-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular and structural basis of olfactory sensory neuron axon coalescence by Kirrel receptors. Cell Rep, 37, 2021
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