2NAE
| Membrane-bound mouse CD28 cytoplasmic tail | Descriptor: | T-cell-specific surface glycoprotein CD28 | Authors: | Li, H, Xu, C, Pan, W. | Deposit date: | 2015-12-23 | Release date: | 2016-12-21 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Dynamic regulation of CD28 conformation and signaling by charged lipids and ions. Nat.Struct.Mol.Biol., 24, 2017
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5GO9
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5GOA
| Cryo-EM structure of RyR2 in open state | Descriptor: | RyR2, ZINC ION | Authors: | Peng, W, Wu, J.P, Yan, N. | Deposit date: | 2016-07-26 | Release date: | 2016-10-05 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structural basis for the gating mechanism of the type 2 ryanodine receptor RyR2 Science, 354, 2016
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5VOH
| Crystal structure of engineered water-forming NADPH oxidase (TPNOX) bound to NADPH. The G159A, D177A, A178R, M179S, P184R mutant of LbNOX. | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Cracan, V, Grabarek, Z. | Deposit date: | 2017-05-02 | Release date: | 2017-08-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | A genetically encoded tool for manipulation of NADP(+)/NADPH in living cells. Nat. Chem. Biol., 13, 2017
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5VN0
| Water-forming NADH oxidase from Lactobacillus brevis (LbNOX) bound to NADH. | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Cracan, V, Grabarek, Z. | Deposit date: | 2017-04-28 | Release date: | 2017-08-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | A genetically encoded tool for manipulation of NADP(+)/NADPH in living cells. Nat. Chem. Biol., 13, 2017
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7WNV
| Crystal structure of mutant estrogen receptor alpha Y537S in complex with CO9 | Descriptor: | (~{Z})-4-[2-[4-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]oxy]phenoxy]ethylamino]-~{N},~{N}-dimethyl-but-2-enamide, Estrogen receptor | Authors: | Xiao, Y, Lv, Y. | Deposit date: | 2022-01-19 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | X-ray crystallography study and optimization of novel benzothiophene analogs as potent selective estrogen receptor covalent antagonists (SERCAs) with improved potency and safety profiles. Bioorg.Chem., 141, 2023
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6LXW
| Cryo-EM structure of human secretory immunoglobulin A in complex with the N-terminal domain of SpsA | Descriptor: | Immunoglobulin J chain, Interleukin-2,Immunoglobulin heavy constant alpha 1, Polymeric immunoglobulin receptor, ... | Authors: | Wang, Y, Wang, G, Li, Y, Xiao, J. | Deposit date: | 2020-02-12 | Release date: | 2020-05-27 | Last modified: | 2020-07-22 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Structural insights into secretory immunoglobulin A and its interaction with a pneumococcal adhesin. Cell Res., 30, 2020
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4RE1
| Crystal structure of human TEAD1 and disulfide-engineered YAP | Descriptor: | CHLORIDE ION, Transcriptional enhancer factor TEF-1, Yorkie homolog | Authors: | Xu, Z, Zhou, Z. | Deposit date: | 2014-09-21 | Release date: | 2014-11-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Targeting Hippo pathway by specific interruption of YAP-TEAD interaction using cyclic YAP-like peptides. Faseb J., 29, 2015
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5XSY
| Structure of the Nav1.4-beta1 complex from electric eel | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein, Voltage-gated sodium channel beta subunit 1, ... | Authors: | Yan, Z, Zhou, Q, Wu, J.P, Yan, N. | Deposit date: | 2017-06-15 | Release date: | 2017-08-09 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structure of the Nav1.4-beta 1 Complex from Electric Eel. Cell, 170, 2017
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2WPD
| The Mg.ADP inhibited state of the yeast F1c10 ATP synthase | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP SYNTHASE SUBUNIT 9, ... | Authors: | Dautant, A, Velours, J, Giraud, M.-F. | Deposit date: | 2009-08-05 | Release date: | 2010-07-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.432 Å) | Cite: | Crystal Structure of the Mg.Adp-Inhibited State of the Yeast F1C10-ATP Synthase. J.Biol.Chem., 285, 2010
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7CL1
| Human SIRT6 in complex with allosteric activator MDL-801 (3.2A) | Descriptor: | 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Song, K, Zhang, J. | Deposit date: | 2020-07-20 | Release date: | 2021-02-24 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Reply to: Binding site for MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
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7CL0
| Crystal structure of human SIRT6 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ... | Authors: | Song, K, Zhang, J. | Deposit date: | 2020-07-20 | Release date: | 2021-02-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Reply to: Binding site for MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
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7WKY
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13153 | Descriptor: | 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, Bromodomain-containing protein 4, GLYCEROL | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-12 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WMQ
| Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13157 | Descriptor: | 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, FORMIC ACID, GLYCEROL, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-16 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WN5
| Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13142 | Descriptor: | 1,2-ETHANEDIOL, Isoform 4 of Bromodomain-containing protein 2, POTASSIUM ION, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-17 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WNA
| Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13120 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Isoform 4 of Bromodomain-containing protein 2, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-17 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WMU
| Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13146 | Descriptor: | 1,2-ETHANEDIOL, Isoform 4 of Bromodomain-containing protein 2, ~{N}-[4-[2,4-bis(fluoranyl)phenoxy]-3-[2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-17 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WNI
| Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13158 | Descriptor: | 1,2-ETHANEDIOL, 7-[2-[2,4-bis(fluoranyl)phenoxy]-5-(2-oxidanylpropan-2-yl)phenyl]-2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-18 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WJS
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13157 | Descriptor: | 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, Bromodomain-containing protein 4, GLYCEROL | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-07 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WLN
| Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13153 | Descriptor: | 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-13 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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2GM1
| Crystal structure of the mitotic kinesin eg5 in complex with mg-adp and n-(3-aminopropyl)-n-((3-benzyl-5-chloro-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)(cyclopropyl)methyl)-4-methylbenzamide | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, KINESIN-RELATED MOTOR PROTEIN EG5, MAGNESIUM ION, ... | Authors: | Sheriff, S. | Deposit date: | 2006-04-05 | Release date: | 2006-06-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Synthesis and SAR of pyrrolotriazine-4-one based Eg5 inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
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6J8E
| Human Nav1.2-beta2-KIIIA ternary complex | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Pan, X, Li, Z, Huang, X, Huang, G, Yan, N. | Deposit date: | 2019-01-18 | Release date: | 2019-02-27 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Molecular basis for pore blockade of human Na+channel Nav1.2 by the mu-conotoxin KIIIA. Science, 363, 2019
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1CIS
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7E7E
| The co-crystal structure of ACE2 with Fab | Descriptor: | Processed angiotensin-converting enzyme 2, ZINC ION, h11B11-Fab | Authors: | Xiao, J.Y, Zhang, Y. | Deposit date: | 2021-02-26 | Release date: | 2021-07-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | A broadly neutralizing humanized ACE2-targeting antibody against SARS-CoV-2 variants. Nat Commun, 12, 2021
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7VMX
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