6QP5
 
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6H2X
 | | MukB coiled-coil elbow from E. coli | | Descriptor: | Chromosome partition protein MukB,Chromosome partition protein MukB | | Authors: | Buermann, F, Lowe, J. | | Deposit date: | 2018-07-16 | | Release date: | 2019-03-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A folded conformation of MukBEF and cohesin.
Nat.Struct.Mol.Biol., 26, 2019
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7S6R
 | | Complex structure of Methane monooxygenase hydroxylase and regulatory subunit with H5A mutation | | Descriptor: | 1,2-ETHANEDIOL, BENZOIC ACID, FE (III) ION, ... | | Authors: | Johns, J.C, Banerjee, R, Semonis, M.M, Shi, K, Aihara, H, Lipscomb, J.D. | | Deposit date: | 2021-09-14 | | Release date: | 2021-12-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | X-ray Crystal Structures of Methane Monooxygenase Hydroxylase Complexes with Variants of Its Regulatory Component: Correlations with Altered Reaction Cycle Dynamics.
Biochemistry, 61, 2022
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6ZK6
 | | Protein Phosphatase 1 (PP1) T320E mutant | | Descriptor: | FE (III) ION, MANGANESE (II) ION, PHOSPHATE ION, ... | | Authors: | Salvi, F, Barabas, O, Koehn, M. | | Deposit date: | 2020-06-29 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Towards Dissecting the Mechanism of Protein Phosphatase-1 Inhibition by Its C-Terminal Phosphorylation.
Chembiochem, 22, 2021
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6QRW
 | | X-ray radiation dose series on xylose isomerase - 3.25 MGy | | Descriptor: | 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, MAGNESIUM ION, ... | | Authors: | Taberman, H, Bury, C.S, van der Woerd, M.J, Snell, E.H, Garman, E.F. | | Deposit date: | 2019-02-19 | | Release date: | 2019-07-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Structural knowledge or X-ray damage? A case study on xylose isomerase illustrating both.
J.Synchrotron Radiat., 26, 2019
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6C7X
 | | Carbonic anhydrase 2 in complex with 2-chloro-5'-O-sulfamoyladenosine | | Descriptor: | 2-chloro-5'-O-sulfamoyladenosine, Carbonic anhydrase 2, SODIUM ION, ... | | Authors: | Peat, T.S, Mujumdar, P, Poulsen, S.A. | | Deposit date: | 2018-01-23 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Synthesis, structure and bioactivity of primary sulfamate-containing natural products.
Bioorg. Med. Chem. Lett., 28, 2018
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8QFB
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6QSD
 | | Crystal structure of Pizza6S | | Descriptor: | Pizza6S, SULFATE ION | | Authors: | Noguchi, H, Vandebroek, L, Kamata, K, Tame, J.R.H, Van Meervelt, L, Parac-Vogt, T.N, Voet, A.R.D. | | Deposit date: | 2019-02-20 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Hybrid assemblies of a symmetric designer protein and polyoxometalates with matching symmetry.
Chem.Commun.(Camb.), 56, 2020
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7S6S
 | | Complex structure of Methane monooxygenase hydroxylase and regulatory subunit DBL1 | | Descriptor: | 1,2-ETHANEDIOL, BENZOIC ACID, FE (III) ION, ... | | Authors: | Johns, J.C, Banerjee, R, Semonis, M.M, Shi, K, Aihara, H, Lipscomb, J.D. | | Deposit date: | 2021-09-14 | | Release date: | 2021-12-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | X-ray Crystal Structures of Methane Monooxygenase Hydroxylase Complexes with Variants of Its Regulatory Component: Correlations with Altered Reaction Cycle Dynamics.
Biochemistry, 61, 2022
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7C7F
 | | Crystal structures of AKR1C3 binary complex with NADP+ | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Aldo-keto reductase family 1 member C3, ... | | Authors: | Irie, K, Toyooka, N, Endo, S. | | Deposit date: | 2020-05-25 | | Release date: | 2020-09-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Development of Novel AKR1C3 Inhibitors as New Potential Treatment for Castration-Resistant Prostate Cancer.
J.Med.Chem., 63, 2020
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8QB0
 | | Crystal Structure of BRPF1 bromodomain in complex with acetyl-pyrrole derivative compound 2 | | Descriptor: | 2-[4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-2~{H}-isoindol-1-yl)-1,3-thiazol-2-yl]guanidine, NITRATE ION, Peregrin | | Authors: | Dalle Vedove, A, Cazzanelli, G, Lolli, G. | | Deposit date: | 2023-08-23 | | Release date: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Dual BET/BRPF1 inhibitors induce morphological alteration and cellular death in various human cancer cell lines
To be published
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7S94
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6QSH
 | | Crystal structure of the hybrid bioinorganic complex of Pizza6S linked by the 1:2 Ce-substituted Keggin | | Descriptor: | 1:2 Ce-substituted Keggin, Pizza6S | | Authors: | Noguchi, H, Vandebroek, L, Kamata, K, Tame, J.R.H, Van Meervelt, L, Parac-Vogt, T.N, Voet, A.R.D. | | Deposit date: | 2019-02-20 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Hybrid assemblies of a symmetric designer protein and polyoxometalates with matching symmetry.
Chem.Commun.(Camb.), 56, 2020
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6I8V
 | | KtrC with ATP bound | | Descriptor: | 1,4-BUTANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ... | | Authors: | Rocha, R, Morais-Cabral, J.H. | | Deposit date: | 2018-11-21 | | Release date: | 2019-10-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.991 Å) | | Cite: | Characterization of the molecular properties of KtrC, a second RCK domain that regulates a Ktr channel in Bacillus subtilis.
J.Struct.Biol., 205, 2019
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6H0N
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7ZO2
 | | L1 metallo-beta-lactamase complex with hydrolysed doripenem | | Descriptor: | (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, CHLORIDE ION, Metallo-beta-lactamase L1, ... | | Authors: | Hinchliffe, P, Spencer, J. | | Deposit date: | 2022-04-24 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Interactions of hydrolyzed beta-lactams with the L1 metallo-beta-lactamase: Crystallography supports stereoselective binding of cephem/carbapenem products.
J.Biol.Chem., 299, 2023
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8QDG
 | | compound 1a bound KMT9 crystal structure | | Descriptor: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[(3~{S})-pyrrolidin-3-yl]amino]-2-azanyl-butanoic acid, Methyltransferase N6AMT1, Multifunctional methyltransferase subunit TRM112-like protein | | Authors: | Sheng, W, Eric, M, Roland, S. | | Deposit date: | 2023-08-29 | | Release date: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.392 Å) | | Cite: | compound 1a bound KMT9 crystal structure
To Be Published
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7S56
 | | Sortase A from Streptococcus agalactiae, residues 79-247 | | Descriptor: | Class A sortase | | Authors: | Gao, M, Kodama, H.M, Antos, J.M, Amacher, J.F. | | Deposit date: | 2021-09-09 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural and biochemical analyses of selectivity determinants in chimeric Streptococcus Class A sortase enzymes.
Protein Sci., 31, 2022
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7COZ
 | | Crystal Structure of double mutant Y115E Y117E human Secretory Glutaminyl Cyclase in complex with LSB-41 | | Descriptor: | 1,2-ETHANEDIOL, 1-[3-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)propanoyl]piperidine-4-carboxamide, Glutaminyl-peptide cyclotransferase, ... | | Authors: | Dileep, K.V, Ihara, K, Sakai, N, Shirozu, M, Zhang, K.Y.J. | | Deposit date: | 2020-08-05 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Piperidine-4-carboxamide as a new scaffold for designing secretory glutaminyl cyclase inhibitors.
Int.J.Biol.Macromol., 170, 2020
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8QAN
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8QDI
 | | compound 1b bound KMT9 crystal structure | | Descriptor: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-[(2~{R})-pyrrolidin-2-yl]ethyl]amino]-2-azanyl-butanoic acid, Methyltransferase N6AMT1, Multifunctional methyltransferase subunit TRM112-like protein | | Authors: | Sheng, W, Eric, M, Roland, S. | | Deposit date: | 2023-08-29 | | Release date: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.467 Å) | | Cite: | compound 1a bound KMT9 crystal structure
To Be Published
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7C8W
 | | Structure of sybody MR17 in complex with the SARS-CoV-2 S receptor-binding domain (RBD) | | Descriptor: | GLYCEROL, Spike protein S1, Synthetic nanobody MR17, ... | | Authors: | Li, T, Cai, H, Yao, H, Qin, W, Li, D. | | Deposit date: | 2020-06-03 | | Release date: | 2020-06-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection.
Nat Commun, 12, 2021
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6QPO
 | | Adenovirus species D serotype 49 Fiber-Knob KO1 mutant | | Descriptor: | Fiber, SULFATE ION | | Authors: | Baker, A.T, Rizkallah, P.J. | | Deposit date: | 2019-02-14 | | Release date: | 2020-08-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | The Fiber Knob Protein of Human Adenovirus Type 49 Mediates Highly Efficient and Promiscuous Infection of Cancer Cell Lines Using a Novel Cell Entry Mechanism.
J.Virol., 95, 2021
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8QB2
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7S53
 | | Structure of Sortase A from Streptococcus pyogenes with the b7-b8 loop sequence from Listeria monocytogenes Sortase A | | Descriptor: | Class A sortase, sortase A chimera | | Authors: | Johnson, D.A, Svendsen, J.E, Antos, J.M, Amacher, J.F. | | Deposit date: | 2021-09-09 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and biochemical analyses of selectivity determinants in chimeric Streptococcus Class A sortase enzymes.
Protein Sci., 31, 2022
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