7JZT
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7K40
| Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Boceprevir at 1.35 A Resolution | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, boceprevir (bound form) | Authors: | Kumaran, D, Andi, B, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | Deposit date: | 2020-09-14 | Release date: | 2020-09-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12, 2022
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7K4P
| Crystal structure of Kemp Eliminase HG3 | Descriptor: | Endo-1,4-beta-xylanase | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | Deposit date: | 2020-09-16 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis. Science, 370, 2020
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7K4S
| Crystal structure of Kemp Eliminase HG3.7 | Descriptor: | Endo-1,4-beta-xylanase, SULFATE ION | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | Deposit date: | 2020-09-16 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis. Science, 370, 2020
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7K6Z
| Carbonic Anhydrase IX mimic complexed with 4-(2-(3-(4-fluorophenyl)ureido)ethylsulfonamido)benzenesulfonamide | Descriptor: | 4-{[(2-{[(4-fluorophenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Andring, J.T, Singh, S, McKenna, R. | Deposit date: | 2020-09-21 | Release date: | 2020-12-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.657 Å) | Cite: | Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors. Eur.J.Med.Chem., 212, 2021
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7K7W
| The X-ray crystal structure of SSR4, an S. pombe chromatin remodelling protein: native | Descriptor: | CHLORIDE ION, GLYCEROL, SWI/SNF and RSC complexes subunit ssr4 | Authors: | Peat, T.S, Newman, J. | Deposit date: | 2020-09-24 | Release date: | 2020-12-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | The X-ray crystal structure of the N-terminal domain of Ssr4, a Schizosaccharomyces pombe chromatin-remodelling protein. Acta Crystallogr.,Sect.F, 76, 2020
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7KEV
| PCSK9 in complex with a cyclic peptide LDLR disruptor | Descriptor: | CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, Proprotein convertase subtilisin/kexin type 9 Propeptide, ... | Authors: | Spraggon, G, Chopra, R. | Deposit date: | 2020-10-12 | Release date: | 2021-11-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Identification of a PCSK9-LDLR disruptor peptide with in vivo function. Cell Chem Biol, 29, 2022
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7KH3
| Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to Indole 3 propionic acid | Descriptor: | INDOLYLPROPIONIC ACID, SULFATE ION, Transcriptional regulator, ... | Authors: | Walton, W.G, Redinbo, M.R, Dangl, J.L. | Deposit date: | 2020-10-19 | Release date: | 2021-12-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome. Nat Microbiol, 7, 2022
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7KJQ
| Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to Picloram | Descriptor: | Picloram, SULFATE ION, Transcriptional regulator, ... | Authors: | Walton, W.G, Redinbo, M.R, Dangl, J.L. | Deposit date: | 2020-10-26 | Release date: | 2021-12-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome. Nat Microbiol, 7, 2022
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7KK0
| Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to Catechol | Descriptor: | CATECHOL, SULFATE ION, Transcriptional regulator, ... | Authors: | Walton, W.G, Redinbo, M.R, Dangl, J.L. | Deposit date: | 2020-10-27 | Release date: | 2021-12-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome. Nat Microbiol, 7, 2022
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7KKC
| Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to 5-Hydroxyindoleacetic acid | Descriptor: | (5-hydroxy-1H-indol-3-yl)acetic acid, SULFATE ION, Transcriptional regulator, ... | Authors: | Walton, W.G, Redinbo, M.R, Dangl, J.L. | Deposit date: | 2020-10-27 | Release date: | 2021-12-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome. Nat Microbiol, 7, 2022
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7KR9
| Bifunctional enzyme GlmU bound to Zn(II) | Descriptor: | ACETYL COENZYME *A, Bifunctional protein GlmU, CALCIUM ION, ... | Authors: | Maher, M.J. | Deposit date: | 2020-11-19 | Release date: | 2021-12-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Dysregulation of Streptococcus pneumoniae zinc homeostasis breaks ampicillin resistance in a pneumonia infection model. Cell Rep, 38, 2022
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7KNK
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7KJL
| Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to Salicylic acid | Descriptor: | 2-HYDROXYBENZOIC ACID, SULFATE ION, Transcriptional regulator, ... | Authors: | Walton, W.G, Redinbo, M.R, Dangl, J.L. | Deposit date: | 2020-10-26 | Release date: | 2021-12-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome. Nat Microbiol, 7, 2022
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7KRH
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7KKI
| Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to 2,4-Dichlorophenoxyacetic acid | Descriptor: | (2,4-DICHLOROPHENOXY)ACETIC ACID, SULFATE ION, Transcriptional regulator, ... | Authors: | Walton, W.G, Redinbo, M.R, Dangl, J.L. | Deposit date: | 2020-10-27 | Release date: | 2021-12-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome. Nat Microbiol, 7, 2022
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7KIG
| Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to Indole-3-butyric acid | Descriptor: | 3-INDOLEBUTYRIC ACID, SULFATE ION, Transcriptional regulator, ... | Authors: | Walton, W.G, Redinbo, M.R, Dangl, J.L. | Deposit date: | 2020-10-23 | Release date: | 2021-12-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome. Nat Microbiol, 7, 2022
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7KYM
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7L1P
| HIV Integrase Core domain (IN) in complex with dimer-spanning ligand | Descriptor: | (2-{[3-(4-{2-[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzene-1-carbonyl)amino]ethyl}piperazine-1-carbonyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid, IODIDE ION, Integrase, ... | Authors: | Gorman, M.A, Parker, M.W. | Deposit date: | 2020-12-15 | Release date: | 2021-12-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | HIV Integrase core domain in complex with inhibitor To Be Published
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7L00
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7L23
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7L2Y
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7L5A
| Crystal structure of the photosensory module from Xanthomonas campestris bacteriophytochrome XccBphP in the Pfr state | Descriptor: | BILIVERDINE IX ALPHA, Bacteriophytochrome | Authors: | Otero, L.H, Antelo, G, Sanchez-Lamas, M, Klinke, S, Goldbaum, F.A, Rinaldi, J, Bonomi, H.R. | Deposit date: | 2020-12-21 | Release date: | 2021-12-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural basis for the Pr-Pfr long-range signaling mechanism of a full-length bacterial phytochrome at the atomic level. Sci Adv, 7, 2021
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7L59
| Crystal structure of the dark-adapted full-length bacteriophytochrome XccBphP-G454E variant from Xanthomonas campestris in the Pfr state | Descriptor: | BILIVERDINE IX ALPHA, Bacteriophytochrome | Authors: | Otero, L.H, Antelo, G, Sanchez-Lamas, M, Klinke, S, Goldbaum, F.A, Rinaldi, J, Bonomi, H.R. | Deposit date: | 2020-12-21 | Release date: | 2021-12-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Structural basis for the Pr-Pfr long-range signaling mechanism of a full-length bacterial phytochrome at the atomic level. Sci Adv, 7, 2021
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7KEY
| Protein Tyrosine Phosphatase 1B, Apo | Descriptor: | ACETATE ION, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Battaile, K.P, Chirgadze, Y, Ruzanov, M, Romanov, V, Lam, K, Gordon, R, Lin, A, Lam, R, Pai, E, Chirgadze, N. | Deposit date: | 2020-10-13 | Release date: | 2022-01-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.771 Å) | Cite: | Signal transfer in human protein tyrosine phosphatase PTP1B from allosteric inhibitor P00058. J.Biomol.Struct.Dyn., 2021
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