7SEU
 
 | | Crystal structure of E coli contaminant protein YncE co-purified with a plant protein | | Descriptor: | PQQ-dependent catabolism-associated beta-propeller protein | | Authors: | Chai, L, Zhu, P, Chai, J, Pang, C, Andi, B, McsWeeney, S, Shanklin, J, Liu, Q. | | Deposit date: | 2021-10-01 | | Release date: | 2022-04-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | AlphaFold Protein Structure Database for Sequence-Independent Molecular Replacement
Crystals, 11, 2021
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8BQT
 | | Hen Egg-White Lysozyme (HEWL) complexed with two methyl-functionalised Anderson-Evans polyoxometalates | | Descriptor: | CHLORIDE ION, Lysozyme C, Mn-Mo(6)-O(24)-C(10) cluster | | Authors: | Lentink, S, Salazar Marcano, D.E, Moussawi, M.A, Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N. | | Deposit date: | 2022-11-21 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Fine-tuning non-covalent interactions between hybrid metal-oxo clusters and proteins.
Faraday Disc.Chem.Soc, 244, 2023
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8TRV
 | | Structure of the EphA2 LBDCRD bound to FabS1C_C1 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Ephrin type-A receptor 2, ... | | Authors: | Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S. | | Deposit date: | 2023-08-10 | | Release date: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Synthetic Antibodies targeting EPHA2 Induce Diverse Signaling-Competent Clusters with Differential Activation
To be Published
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8U09
 | | Crystal structure of substrate-free SyoA | | Descriptor: | ACETATE ION, Cytochrome P450, GLYCEROL, ... | | Authors: | Harlington, A.H, Shearwin, K.E, Bell, S.G, Whelan, F. | | Deposit date: | 2023-08-28 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural insights into the S-lignin O-demethylase SyoA
To Be Published
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6CEV
 | | MBD3 MBD in complex with methylated, non-palindromic CpG DNA: alternative interpretation of crystallographic data | | Descriptor: | DNA (5'-D(*GP*CP*CP*AP*AP*(5CM)P*GP*CP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*AP*GP*(5CM)P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain protein 3, ... | | Authors: | Liu, K, Tempel, W, Wernimont, A.K, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-12 | | Release date: | 2018-05-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.005 Å) | | Cite: | Structural analyses reveal that MBD3 is a methylated CG binder.
Febs J., 286, 2019
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8BQQ
 | | Hen Egg-White Lysozyme (HEWL) complexed with amine-functionalised Anderson-Evans polyoxometalate | | Descriptor: | CHLORIDE ION, Lysozyme C, Mn-Mo(6)-N(2)-O(24)-C(8) cluster | | Authors: | Lentink, S, Salazar Marcano, D.E, Moussawi, M.A, Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N. | | Deposit date: | 2022-11-21 | | Release date: | 2023-03-08 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Fine-tuning non-covalent interactions between hybrid metal-oxo clusters and proteins.
Faraday Disc.Chem.Soc, 244, 2023
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6CF3
 | | Ethylene forming enzyme Y306A variant in complex with manganese and 2-oxoglutarate | | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, ... | | Authors: | Fellner, M, Martinez, S, Hu, J, Hausinger, R.P. | | Deposit date: | 2018-02-13 | | Release date: | 2019-02-13 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Structural, Spectroscopic, and Computational Insights from Canavanine-Bound and Two Catalytically Compromised Variants of the Ethylene-Forming Enzyme.
Biochemistry, 2024
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8BQR
 | | Hen Egg-White Lysozyme (HEWL) complexed with biotin-functionalised Anderson-Evans polyoxometalate | | Descriptor: | Anderson-Evans polyoxometalate (biotin-functionalised), CALCIUM ION, Lysozyme C | | Authors: | Lentink, S, Salazar Marcano, D.E, Moussawi, M.A, Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N. | | Deposit date: | 2022-11-21 | | Release date: | 2023-03-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Fine-tuning non-covalent interactions between hybrid metal-oxo clusters and proteins.
Faraday Disc.Chem.Soc, 244, 2023
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8TJH
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7SI2
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8U19
 | | Crystal structure of SyoA bound to syringol | | Descriptor: | 2,6-dimethoxyphenol, Cytochrome P450, MAGNESIUM ION, ... | | Authors: | Harlington, A.C, Shearwin, K.E, Bell, S.G, Whelan, F. | | Deposit date: | 2023-08-31 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Structural insights into the S-lignin O-demethylase SyoA
To Be Published
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7M2V
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7M2T
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8BR9
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6JZD
 | | Crystal structure of peptide-bound VASH2-SVBP complex | | Descriptor: | GLU-GLY-GLU-GLU-TYR, Small vasohibin-binding protein, Tubulinyl-Tyr carboxypeptidase 2 | | Authors: | Chen, Z, Ling, Y, Zeyuan, G, Zhu, L. | | Deposit date: | 2019-05-01 | | Release date: | 2019-07-17 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.479 Å) | | Cite: | Structural basis of tubulin detyrosination by VASH2/SVBP heterodimer.
Nat Commun, 10, 2019
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7SD5
 | | Crystallographic structure of neutralizing antibody 10-40 in complex with SARS-CoV-2 spike receptor binding domain | | Descriptor: | 10-40 Heavy chain, 10-40 Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Reddem, E.R, Casner, R.G, Shapiro, L. | | Deposit date: | 2021-09-29 | | Release date: | 2022-04-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | An antibody class with a common CDRH3 motif broadly neutralizes sarbecoviruses.
Sci Transl Med, 14, 2022
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7NMV
 | | Crystal structure of beta-2-microglobulin D76Q mutant | | Descriptor: | Beta-2-microglobulin | | Authors: | Guthertz, N. | | Deposit date: | 2021-02-23 | | Release date: | 2022-08-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | The effect of mutation on an aggregation-prone protein: An in vivo, in vitro, and in silico analysis.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6K04
 | | Crystal structure of BRD2(BD2)with ligand BY27 bound | | Descriptor: | (6~{R})-~{N}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{H}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine, Bromodomain-containing protein 2 | | Authors: | Lu, T, Lu, W, Chen, D, Zhao, Y, Luo, C. | | Deposit date: | 2019-05-05 | | Release date: | 2019-09-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.251 Å) | | Cite: | Discovery, structural insight, and bioactivities of BY27 as a selective inhibitor of the second bromodomains of BET proteins.
Eur.J.Med.Chem., 182, 2019
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6CHN
 | | Phosphopantetheine adenylyltransferase (CoaD) in complex with methyl (R)-4-(3-(2-cyano-1-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)ethyl)phenoxy)piperidine-1-carboxylate | | Descriptor: | DI(HYDROXYETHYL)ETHER, Phosphopantetheine adenylyltransferase, SULFATE ION, ... | | Authors: | Mamo, M, Appleton, B.A. | | Deposit date: | 2018-02-22 | | Release date: | 2018-04-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
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6CD7
 | | Crystal structure of APH(2")-IVa in complex with plazomicin | | Descriptor: | (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-{[(2S,3R)-3-amino-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-y l]oxy}-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide, APH(2'')-Id, CHLORIDE ION | | Authors: | Stogios, P.J, Evdokimova, E, Dong, A, Di Leo, R, Savchenko, A, Satchell, K.J, Joachimiak, J, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-02-08 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Plazomicin Retains Antibiotic Activity against Most Aminoglycoside Modifying Enzymes.
ACS Infect Dis, 4, 2018
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6CCM
 | | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-((3-bromobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | | Descriptor: | 2-{[(3-bromophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one, Phosphopantetheine adenylyltransferase, SULFATE ION | | Authors: | Mamo, M, Appleton, B.A. | | Deposit date: | 2018-02-07 | | Release date: | 2018-03-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
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7NMY
 | | Crystal structure of beta-2-microglobulin D76Y mutant | | Descriptor: | Beta-2-microglobulin | | Authors: | Guthertz, N. | | Deposit date: | 2021-02-23 | | Release date: | 2022-08-03 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | The effect of mutation on an aggregation-prone protein: An in vivo, in vitro, and in silico analysis.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6CCS
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7NN5
 | | Crystal structure of beta-2-microglobulin D76K mutant | | Descriptor: | Beta-2-microglobulin | | Authors: | Guthertz, N. | | Deposit date: | 2021-02-24 | | Release date: | 2022-08-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.242 Å) | | Cite: | The effect of mutation on an aggregation-prone protein: An in vivo, in vitro, and in silico analysis.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7NNK
 | | Crystal structure of S116A mutant of hydroxy ketone aldolase (SwHKA) from Sphingomonas wittichii RW1 in complex with hydroxypyruvate | | Descriptor: | 3-HYDROXYPYRUVIC ACID, HpcH/HpaI aldolase, MAGNESIUM ION | | Authors: | Justo, I, Marsden, S.R, Hanefeld, U, Bento, I. | | Deposit date: | 2021-02-25 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Substrate Induced Movement of the Metal Cofactor between Active and Resting State.
Angew.Chem.Int.Ed.Engl., 61, 2022
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