7XII
 
 | | Crystal structure of the aminopropyltransferase, SpeE from hyperthermophilic crenarchaeon, Pyrobaculum calidifontis in complex with 5'-methylthioadenosine (MTA) & aminopropylagmatine | | Descriptor: | 1-{4-[(3-aminopropyl)amino]butyl}guanidine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ... | | Authors: | Mizohata, E, Yasuda, Y. | | Deposit date: | 2022-04-13 | | Release date: | 2022-06-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Substrate Specificity of an Aminopropyltransferase and the Biosynthesis Pathway of Polyamines in the Hyperthermophilic Crenarchaeon Pyrobaculum calidifontis.
Catalysts, 12, 2022
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7XOI
 | | Aspergillus sojae alpha-glucosidase AsojAgdL in complex with trehalose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, ... | | Authors: | Tonozuka, T. | | Deposit date: | 2022-05-01 | | Release date: | 2022-06-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for proteolytic processing of Aspergillus sojae alpha-glucosidase L with strong transglucosylation activity.
J.Struct.Biol., 214, 2022
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8GM6
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8GLC
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8GIC
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8G4Y
 | | Structure of ZNRF3 ECD bound to peptide MK1-3.6.10 | | Descriptor: | E3 ubiquitin-protein ligase ZNRF3, MK1-3.6.10 | | Authors: | Harris, S.F, Wu, P. | | Deposit date: | 2023-02-10 | | Release date: | 2023-12-20 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Potent and selective binders of the E3 ubiquitin ligase ZNRF3 stimulate Wnt signaling and intestinal organoid growth.
Cell Chem Biol, 31, 2024
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5JQ9
 | | Yersinia pestis DHPS with pterine-sulfa conjugate Compound 16 | | Descriptor: | 1,2-ETHANEDIOL, 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide, Dihydropteroate synthase | | Authors: | Wu, Y, White, S.W. | | Deposit date: | 2016-05-04 | | Release date: | 2016-08-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | Pterin-sulfa conjugates as dihydropteroate synthase inhibitors and antibacterial agents.
Bioorg.Med.Chem.Lett., 26, 2016
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5K42
 | | Structure of Mycobacterium thermoresistibile trehalose-6-phosphate synthase in a complex with GDP-glucose. | | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Alpha,alpha-trehalose-phosphate synthase, ... | | Authors: | Mendes, V, Verma, N, Blaszczyk, M, Blundell, T.L. | | Deposit date: | 2016-05-20 | | Release date: | 2017-06-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.921 Å) | | Cite: | Mycobacterial OtsA Structures Unveil Substrate Preference Mechanism and Allosteric Regulation by 2-Oxoglutarate and 2-Phosphoglycerate.
Mbio, 10, 2019
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7XIH
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8GLZ
 | | Crystal structure of T252E-CYP199A4 in complex with 4-hydroxybenzoic acid. Crystal was initially co-crystallised with 4-methoxybenzoic acid and soaked with 4 mM hydrogen peroxide | | Descriptor: | CHLORIDE ION, Cytochrome P450, P-HYDROXYBENZOIC ACID, ... | | Authors: | Lee, J.H.Z, Bruning, J.B, Bell, S.G. | | Deposit date: | 2023-03-23 | | Release date: | 2023-12-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | An In Crystallo Reaction with an Engineered Cytochrome P450 Peroxygenase.
Chemistry, 30, 2024
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5K4W
 | | Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei bound to NADH and L-threonine refined to 1.72 angstroms | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, L-threonine 3-dehydrogenase, ... | | Authors: | Adjogatse, E.A, Erskine, P.T, Cooper, J.B. | | Deposit date: | 2016-05-22 | | Release date: | 2018-01-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations.
Acta Crystallogr D Struct Biol, 74, 2018
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8GM2
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5K6N
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7XIF
 | | Crystal structure of the aminopropyltransferase, SpeE from hyperthermophilic crenarchaeon, Pyrobaculum calidifontis in complex with 5'-methylthioadenosine (MTA) alone or together with spermidine or thermospermine | | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, N-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-1,4-DIAMINOBUTANE, Polyamine aminopropyltransferase, ... | | Authors: | Mizohata, E, Yasuda, Y. | | Deposit date: | 2022-04-13 | | Release date: | 2022-06-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Substrate Specificity of an Aminopropyltransferase and the Biosynthesis Pathway of Polyamines in the Hyperthermophilic Crenarchaeon Pyrobaculum calidifontis.
Catalysts, 12, 2022
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7XIG
 | | Crystal structure of the aminopropyltransferase, SpeE from hyperthermophilic crenarchaeon, Pyrobaculum calidifontis in complex with 5'-methylthioadenosine (MTA) and spermine | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Polyamine aminopropyltransferase, ... | | Authors: | Mizohata, E, Yasuda, Y. | | Deposit date: | 2022-04-13 | | Release date: | 2022-06-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Substrate Specificity of an Aminopropyltransferase and the Biosynthesis Pathway of Polyamines in the Hyperthermophilic Crenarchaeon Pyrobaculum calidifontis.
Catalysts, 12, 2022
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5K72
 | | IRAK4 in complex with Compound 21 | | Descriptor: | Interleukin-1 receptor-associated kinase 4, SULFATE ION, ~{N}4,~{N}4-dimethyl-~{N}1-[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine | | Authors: | Ferguson, A.D. | | Deposit date: | 2016-05-25 | | Release date: | 2017-12-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma.
J. Med. Chem., 60, 2017
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7X0F
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7XM7
 | | Crystal Structure of the CBP in complex with the Y08188 | | Descriptor: | 1,2-ETHANEDIOL, 3-ethanoyl-~{N}-[2-fluoranyl-3-(1-methylpyrazol-4-yl)phenyl]-7-methoxy-indolizine-1-carboxamide, CREB-binding protein, ... | | Authors: | Xiang, Q, Zhang, Y, Wang, C, Song, M, Xu, Y. | | Deposit date: | 2022-04-25 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Discovery and optimization of 1-(1H-indol-1-yl)ethanone derivatives as potent and selective CBP bromodomain inhibitors
To Be Published
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5KAX
 | | The structure of CTR107 protein bound to RHODAMINE 6G | | Descriptor: | CTR107 protein, GLYCEROL, RHODAMINE 6G | | Authors: | Moreno, A, Wade, H. | | Deposit date: | 2016-06-02 | | Release date: | 2016-08-24 | | Last modified: | 2019-11-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Solution Binding and Structural Analyses Reveal Potential Multidrug Resistance Functions for SAV2435 and CTR107 and Other GyrI-like Proteins.
Biochemistry, 55, 2016
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7WUX
 | | Crystal structure of AziU3/U2 complexed with (5S,6S)-O7-sulfo DADH from Streptomyces sahachiroi | | Descriptor: | (2S,5S,6S)-2,6-bis(azanyl)-5-oxidanyl-7-sulfooxy-heptanoic acid, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, AziU2, ... | | Authors: | Kurosawa, S, Yoshida, A, Tomita, T, Nishiyama, M. | | Deposit date: | 2022-02-09 | | Release date: | 2022-09-07 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular Basis for Enzymatic Aziridine Formation via Sulfate Elimination.
J.Am.Chem.Soc., 144, 2022
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8GJ5
 | | fungal pcna and peptidomimetic | | Descriptor: | Proliferating cell nuclear antigen, THR-ASP-ILE-ARG-ASN-PHE-PHE-HIS-SER | | Authors: | Vandborg, B, Bruning, J.B. | | Deposit date: | 2023-03-14 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Towards a High-Affinity Peptidomimetic Targeting Proliferating Cell Nuclear Antigen from Aspergillus fumigatus.
J Fungi, 9, 2023
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5KC6
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8GDY
 | | Crystal structure of the human PDI first domain with 9 mutations | | Descriptor: | 1,2-ETHANEDIOL, Protein disulfide-isomerase, THIOCYANATE ION | | Authors: | Forouhar, F, Banayan, N.E, Loughlin, B.L, Singh, S, Wong, V, Hunt, H.S, Handelman, S.K, Price, N, Hunt, J.F. | | Deposit date: | 2023-03-06 | | Release date: | 2024-01-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Systematic enhancement of protein crystallization efficiency by bulk lysine-to-arginine (KR) substitution.
Protein Sci., 33, 2024
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5KCI
 | | Crystal Structure of HTC1 | | Descriptor: | GLYCEROL, SULFATE ION, Uncharacterized protein YPL067C, ... | | Authors: | Martin, R.M, Horowitz, S, Koepnick, B, Cooper, S, Flatten, J, Rogawski, D.S, Koropatkin, N.M, Beinlich, F.R.M, Players, F, Students, U.M, Popovic, Z, Baker, D, Khatib, F, Bardwell, J.C.A. | | Deposit date: | 2016-06-06 | | Release date: | 2016-09-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.833 Å) | | Cite: | Determining crystal structures through crowdsourcing and coursework.
Nat Commun, 7, 2016
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5KD1
 | | Sperm whale myoglobin H64A with nitrosoamphetamine | | Descriptor: | GLYCEROL, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Wang, B, Guan, Y, Thomas, L.M, Richter-Addo, G.B. | | Deposit date: | 2016-06-07 | | Release date: | 2017-05-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Nitrosoamphetamine binding to myoglobin and hemoglobin: Crystal structure of the H64A myoglobin-nitrosoamphetamine adduct.
Nitric Oxide, 67, 2017
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