5ZOI
 
 | | Crystal Structure of alpha1,3-Fucosyltransferase | | Descriptor: | Alpha-(1,3)-fucosyltransferase FucT, [[(2S,3R,4S,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4S,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate | | Authors: | Tan, Y, Yang, G. | | Deposit date: | 2018-04-13 | | Release date: | 2019-06-26 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | Directed evolution of an alpha 1,3-fucosyltransferase using a single-cell ultrahigh-throughput screening method.
Sci Adv, 5, 2019
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2JSW
 | | Solution Structure of the R13 Domain of Talin | | Descriptor: | Talin-1 | | Authors: | Goult, B.T, Gingras, A.R, Bate, N, Critchley, D.R.C, Barsukov, I.L. | | Deposit date: | 2007-07-17 | | Release date: | 2008-01-29 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | The structure of the C-terminal actin-binding domain of talin.
Embo J., 27, 2007
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2LWV
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2LWT
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5ZYT
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7CBQ
 | | Crystal structure of PDE4D catalytic domain in complex with Apremilast | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, N-{2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide, ... | | Authors: | Zhang, X.L, Xu, Y.C. | | Deposit date: | 2020-06-13 | | Release date: | 2021-01-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Design, synthesis, and biological evaluation of tetrahydroisoquinolines derivatives as novel, selective PDE4 inhibitors for antipsoriasis treatment.
Eur.J.Med.Chem., 211, 2021
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5ZYU
 | | The crystal structure of humanMGME1 with single strand DNA2 | | Descriptor: | DNA (5'-D(P*CP*AP*AP*CP*AP*AP*CP*A)-3'), GLYCEROL, Mitochondrial genome maintenance exonuclease 1 | | Authors: | Yang, C, Gan, J. | | Deposit date: | 2018-05-28 | | Release date: | 2018-09-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.752 Å) | | Cite: | Structural insights into DNA degradation by human mitochondrial nuclease MGME1
Nucleic Acids Res., 46, 2018
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5ZYV
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7CBJ
 | | Crystal structure of PDE4D catalytic domain in complex with compound 36 | | Descriptor: | (1S)-1-[(7-chloranyl-1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | Authors: | Zhang, X.L, Xu, Y.C. | | Deposit date: | 2020-06-12 | | Release date: | 2021-06-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Design, synthesis, and biological evaluation of tetrahydroisoquinolines derivatives as novel, selective PDE4 inhibitors for antipsoriasis treatment.
Eur.J.Med.Chem., 211, 2021
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7X0X
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7X0Y
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6AIM
 | | Cab2 mutant H337A complex with phosphopantothenate-cysteine | | Descriptor: | N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl-L-cysteine, Phosphopantothenate--cysteine ligase CAB2 | | Authors: | Zheng, P, Zhu, Z. | | Deposit date: | 2018-08-24 | | Release date: | 2019-03-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae.
J. Mol. Biol., 431, 2019
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6AI9
 | | Cab2 mutant-H337A complex with phosphopantothenate | | Descriptor: | N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine, Phosphopantothenate--cysteine ligase CAB2 | | Authors: | Zheng, P, Zhu, Z. | | Deposit date: | 2018-08-22 | | Release date: | 2019-03-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae.
J. Mol. Biol., 431, 2019
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5ZYW
 | | The crystal structure of apo-HsMGME1 with Mn2+ | | Descriptor: | GLYCEROL, L(+)-TARTARIC ACID, MANGANESE (II) ION, ... | | Authors: | Yang, C, Gan, J. | | Deposit date: | 2018-05-28 | | Release date: | 2018-09-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural insights into DNA degradation by human mitochondrial nuclease MGME1
Nucleic Acids Res., 46, 2018
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6AI8
 | | Cab2 mutant-H337A | | Descriptor: | GLYCEROL, Phosphopantothenate--cysteine ligase CAB2, SULFATE ION | | Authors: | Zheng, P, Zhu, Z. | | Deposit date: | 2018-08-22 | | Release date: | 2019-03-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae.
J. Mol. Biol., 431, 2019
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6AIP
 | | Cab2 mutant-H337A complex with phosphopantothenoylcystine | | Descriptor: | (5R,12R,17R)-17-amino-12-carboxy-1,1,5-trihydroxy-4,4-dimethyl-6,10-dioxo-2-oxa-14,15-dithia-7,11-diaza-1-phosphaoctadecan-18-oic acid 1-oxide (non-preferred name), Phosphopantothenate--cysteine ligase CAB2 | | Authors: | Zheng, P, Zhu, Z. | | Deposit date: | 2018-08-24 | | Release date: | 2019-03-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae.
J. Mol. Biol., 431, 2019
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6AIK
 | | Cab2 mutant H337A complex with phosphopantothenoyl-CMP | | Descriptor: | PHOSPHORIC ACID MONO-[3-(3-{[5-(4-AMINO-2-OXO-2H-PYRIMIDIN-1-YL)-3,4- DIHYDROXY-TETRAHYDRO-FURAN-2- YLMETHOXY]-HYDROXY-PHOSPHORYLOXY}-3-OXO-PROPYLCARBAMOYL)-3-HYDROXY-2,2- DIMETHYL-PROPYL] ESTER, Phosphopantothenate--cysteine ligase CAB2 | | Authors: | Zheng, P, Zhu, Z. | | Deposit date: | 2018-08-24 | | Release date: | 2019-03-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae.
J. Mol. Biol., 431, 2019
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5J7A
 | | Bacteriorhodopsin ground state structure obtained with Serial Femtosecond Crystallography | | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL | | Authors: | Nogly, P, Panneels, V, Nelson, G, Gati, C, Kimura, T, Milne, C, Milathianaki, D, Kubo, M, Wu, W, Conrad, C, Coe, J, Bean, R, Zhao, Y, Bath, P, Dods, R, Harimoorthy, R, Beyerlein, K.R, Rheinberger, J, James, D, DePonte, D, Li, C, Sala, L, Williams, G, Hunter, M, Koglin, J.E, Berntsen, P, Nango, E, Iwata, S, Chapman, H.N, Fromme, P, Frank, M, Abela, R, Boutet, S, Barty, A, White, T.A, Weierstall, U, Spence, J, Neutze, R, Schertler, G, Standfuss, J. | | Deposit date: | 2016-04-06 | | Release date: | 2016-08-31 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Lipidic cubic phase injector is a viable crystal delivery system for time-resolved serial crystallography.
Nat Commun, 7, 2016
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6BA6
 | | Solution structure of Rap1b/talin complex | | Descriptor: | Ras-related protein Rap-1b, Talin-1 | | Authors: | Zhu, L, Yang, J, Qin, J. | | Deposit date: | 2017-10-12 | | Release date: | 2017-12-06 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structure of Rap1b bound to talin reveals a pathway for triggering integrin activation.
Nat Commun, 8, 2017
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7YKJ
 | | Omicron RBDs bound with P3E6 Fab (one up and one down) | | Descriptor: | P3E6 heavy chain, P3E6 light chain, Spike glycoprotein | | Authors: | Tang, B, Dang, S. | | Deposit date: | 2022-07-22 | | Release date: | 2022-12-28 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural insights into broadly neutralizing antibodies elicited by hybrid immunity against SARS-CoV-2.
Emerg Microbes Infect, 12, 2023
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7DNC
 | | Crystal structure of EV71 3C proteinase in complex with a novel inhibitor | | Descriptor: | 3C protease, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | | Authors: | Xie, H, Su, H.X, Li, M.J, Xu, Y.C. | | Deposit date: | 2020-12-09 | | Release date: | 2021-05-05 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Peptidomimetic Aldehydes as Broad-Spectrum Inhibitors against Enterovirus and SARS-CoV-2.
J.Med.Chem., 65, 2022
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8HNB
 | | Cryo-EM structure of human OATP1B1 in apo state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Solute carrier organic anion transporter family member 1B1 | | Authors: | Shan, Z, Yang, X, Zhang, Y. | | Deposit date: | 2022-12-07 | | Release date: | 2023-09-13 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.53 Å) | | Cite: | Cryo-EM structures of human organic anion transporting polypeptide OATP1B1.
Cell Res., 33, 2023
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8HNH
 | | Cryo-EM structure of human OATP1B1 in complex with simeprevir | | Descriptor: | (2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Shan, Z, Yang, X, Zhang, Y. | | Deposit date: | 2022-12-07 | | Release date: | 2023-09-13 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.73 Å) | | Cite: | Cryo-EM structures of human organic anion transporting polypeptide OATP1B1.
Cell Res., 33, 2023
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7ETT
 | | The FK1 domain of FKBP51 in complex with peptide-inhibitor hit QFPFV | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, peptide-inhibitor hit | | Authors: | Han, J.T, Zhu, Y.C, Pan, D.B, Xue, H.X, Wang, S, Liu, H.X, He, Y.X, Yao, X.J. | | Deposit date: | 2021-05-14 | | Release date: | 2022-02-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of pentapeptide-inhibitor hits targeting FKBP51 by combining computational modeling and X-ray crystallography.
Comput Struct Biotechnol J, 19, 2021
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7ETV
 | | The FK1 domain of FKBP51 in complex with peptide-inhibitor hit DFPFV | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, peptide-inhibitor hit | | Authors: | Han, J.T, Zhu, Y.C, Pan, D.B, Xue, H.X, Wang, S, Liu, H.X, He, Y.X, Yao, X.J. | | Deposit date: | 2021-05-14 | | Release date: | 2022-02-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Discovery of pentapeptide-inhibitor hits targeting FKBP51 by combining computational modeling and X-ray crystallography.
Comput Struct Biotechnol J, 19, 2021
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