8HX2
| Crystal structure of AtHPPD-Y18405 complex | Descriptor: | 3-[2-(3-chlorophenyl)ethyl]-1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexa-1,3-dien-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | Deposit date: | 2023-01-03 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.996 Å) | Cite: | Crystal structure of AtHPPD-Y18405 complex To Be Published
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6HBA
| Crystal Structure of the small subunit-like domain 1 of CcmM from Synechococcus elongatus (strain PCC 7942), thiol-oxidized form | Descriptor: | Carbon dioxide concentrating mechanism protein CcmM | Authors: | Wang, H, Yan, X, Aigner, H, Bracher, A, Nguyen, N.D, Hee, W.Y, Long, B.M, Price, G.D, Hartl, F.U, Hayer-Hartl, M. | Deposit date: | 2018-08-10 | Release date: | 2018-12-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Rubisco condensate formation by CcmM in beta-carboxysome biogenesis. Nature, 566, 2019
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8HZ9
| Crystal structure of AtHPPD-Y181136 complex | Descriptor: | 4-hydroxyphenylpyruvate dioxygenase, 5-methyl-6-[(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-3-propan-2-yl-1,2,3-benzotriazin-4-one, COBALT (II) ION | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | Deposit date: | 2023-01-08 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.011 Å) | Cite: | Crystal structure of AtHPPD-Y181136 complex To Be Published
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7KV0
| Crystallographic structure of Paenibacillus xylanivorans GH11 | Descriptor: | 1,2-ETHANEDIOL, Endo-1,4-beta-xylanase | Authors: | Briganti, L, Polikarpov, I. | Deposit date: | 2020-11-26 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Structural and molecular dynamics investigations of ligand stabilization via secondary binding site interactions in Paenibacillus xylanivorans GH11 xylanase. Comput Struct Biotechnol J, 19, 2021
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6TSH
| Beta-galactosidase in complex with deoxygalacto-nojirimycin | Descriptor: | (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, Beta-galactosidase, MAGNESIUM ION | Authors: | Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A. | Deposit date: | 2019-12-20 | Release date: | 2020-01-08 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Fragment-based drug discovery using cryo-EM. Drug Discov Today, 25, 2020
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8CWE
| 20ns Temperature-Jump (Dark2) XFEL structure of Lysozyme Bound to N,N'-diacetylchitobiose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | Authors: | Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E. | Deposit date: | 2022-05-19 | Release date: | 2022-06-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography. Nat.Chem., 15, 2023
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7KLL
| Human Arginase1 Complexed with Inhibitor Compound 18 | Descriptor: | 3-[(2~{S},3~{R},4~{R})-4-azanyl-2-carboxy-pyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boron, Arginase-1, MANGANESE (II) ION | Authors: | Palte, R.L. | Deposit date: | 2020-10-30 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structure-Based Discovery of Proline-Derived Arginase Inhibitors with Improved Oral Bioavailability for Immuno-Oncology. Acs Med.Chem.Lett., 12, 2021
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6TU1
| Crystal structure of the human METTL3-METTL14 complex bound to Compound 8 (ASI_M3M_091) | Descriptor: | (2~{R},3~{R},4~{R},5~{R})-2-[(6-aminopurin-9-yl)methyl]-5-azanyl-oxane-3,4-diol, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-12-31 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer. Chemmedchem, 15, 2020
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8CVV
| 20ns Temperature-Jump (Dark1) XFEL structure of Lysozyme | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | Authors: | Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E. | Deposit date: | 2022-05-18 | Release date: | 2022-06-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography. Nat.Chem., 15, 2023
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8HZ6
| Crystal structure of AtHPPD-QRY2089 complex | Descriptor: | 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-prop-2-ynyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | Deposit date: | 2023-01-08 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.605 Å) | Cite: | Crystal structure of AtHPPD-QRY2089 complex To Be Published
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8CWD
| 20ns Temperature-Jump (Dark1) XFEL structure of Lysozyme Bound to N,N'-diacetylchitobiose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | Authors: | Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E. | Deposit date: | 2022-05-19 | Release date: | 2022-06-22 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography. Nat.Chem., 15, 2023
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7KLK
| Human Arginase1 Complexed with Inhibitor Compound 3a | Descriptor: | 1,2-ETHANEDIOL, 3-[(2~{S},3~{R})-2-carboxypiperidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, ... | Authors: | Palte, R.L. | Deposit date: | 2020-10-30 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Structure-Based Discovery of Proline-Derived Arginase Inhibitors with Improved Oral Bioavailability for Immuno-Oncology. Acs Med.Chem.Lett., 12, 2021
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8HXG
| Crystal structure of AtHPPD-Y14116 complex | Descriptor: | (1S,2R,3R)-2-[(S)-(2-methoxy-8-methyl-quinolin-3-yl)-oxidanyl-methyl]-6,6-dimethyl-cyclohex-4-ene-1,3-diol, (4S)-2-METHYL-2,4-PENTANEDIOL, 4-hydroxyphenylpyruvate dioxygenase, ... | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | Deposit date: | 2023-01-04 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | Crystal structure of AtHPPD-Y14116 complex To Be Published
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8HYO
| Crystal structure of AtHPPD-Y18031 complex | Descriptor: | 4-hydroxyphenylpyruvate dioxygenase, 6-[(R)-[(2R,6R)-2,6-bis(oxidanyl)cyclohexyl]-oxidanyl-methyl]-3-(furan-2-ylmethyl)-1,5-dimethyl-quinazoline-2,4-dione, COBALT (II) ION | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | Deposit date: | 2023-01-07 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of AtHPPD-Y18031 complex To Be Published
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6LAA
| Crystal structure of full-length CYP116B46 from Tepidiphilus thermophilus | Descriptor: | 1,2-ETHANEDIOL, CARBONATE ION, Cytochrome P450, ... | Authors: | Zhang, L.L, Ko, T.P, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2019-11-12 | Release date: | 2020-06-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structural insight into the electron transfer pathway of a self-sufficient P450 monooxygenase. Nat Commun, 11, 2020
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8HYM
| Crystal structure of AtHPPD-Y18030 complex | Descriptor: | 3-cyclopentyl-1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | Deposit date: | 2023-01-07 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.794 Å) | Cite: | Crystal structure of AtHPPD-Y18030 complex To Be Published
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8I15
| Crystal structure of AtHPPD-YH20335 complex | Descriptor: | 1,4-dimethyl-5-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(phenylmethyl)benzimidazol-2-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | Deposit date: | 2023-01-12 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Crystal structure of AtHPPD-YH20335 complex To Be Published
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8CVW
| 20ns Temperature-Jump (Dark2) XFEL structure of Lysozyme | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | Authors: | Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E. | Deposit date: | 2022-05-18 | Release date: | 2022-06-22 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography. Nat.Chem., 15, 2023
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4XT3
| Structure of a viral GPCR bound to human chemokine CX3CL1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fractalkine, G-protein coupled receptor homolog US28, ... | Authors: | Burg, J.S, Jude, K.M, Waghray, D, Garcia, K.C. | Deposit date: | 2015-01-22 | Release date: | 2015-03-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.801 Å) | Cite: | Structural biology. Structural basis for chemokine recognition and activation of a viral G protein-coupled receptor. Science, 347, 2015
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8CWF
| 200us Temperature-Jump (Light) XFEL structure of Lysozyme Bound to N,N'-diacetylchitobiose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | Authors: | Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E. | Deposit date: | 2022-05-19 | Release date: | 2022-06-22 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography. Nat.Chem., 15, 2023
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8A18
| 1.63 A resolution hydroquinone inhibited Sporosarcina pasteurii urease | Descriptor: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | Authors: | Mazzei, L, Ciurli, S, Cianci, M. | Deposit date: | 2022-06-01 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Inhibition of Urease by Hydroquinones: A Structural and Kinetic Study. Chemistry, 28, 2022
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7L3F
| T4 Lysozyme L99A - 4-iodotoluene - RT | Descriptor: | 1-iodo-4-methylbenzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Fischer, M, Bradford, S.Y.C. | Deposit date: | 2020-12-17 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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6LB8
| Crystal structure of the Ca2+-free T4L-MICU1-MICU2 complex | Descriptor: | Calcium uptake protein 2, mitochondrial, Endolysin,Calcium uptake protein 1 | Authors: | Wu, W, Shen, Q, Zheng, J, Jia, Z. | Deposit date: | 2019-11-13 | Release date: | 2020-07-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.283 Å) | Cite: | The structure of the MICU1-MICU2 complex unveils the regulation of the mitochondrial calcium uniporter. Embo J., 39, 2020
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8I2U
| Crystal structure of AtHPPD-YH20282 complex | Descriptor: | 2-[2-chloranyl-4-methylsulfonyl-3-(2-trimethylsilylethoxy)phenyl]carbonyl-3-oxidanyl-cyclohex-2-en-1-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | Deposit date: | 2023-01-15 | Release date: | 2023-12-20 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.989 Å) | Cite: | Crystal structure of AtHPPD-YH20282 complex To Be Published
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7ZYT
| Crystal structure of the I318T pathogenic variant of the human dihydrolipoamide dehydrogenase | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, ... | Authors: | Nemes-Nikodem, E, Szabo, E, Vass, K.R, Lennartz, F, Nagy, B, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A. | Deposit date: | 2022-05-25 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.892 Å) | Cite: | Structural and Biochemical Investigation of Selected Pathogenic Mutants of the Human Dihydrolipoamide Dehydrogenase. Int J Mol Sci, 24, 2023
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