8E56
 
 | | Rabbit L-type voltage-gated calcium channel Cav1.1 in the presence of Amiodarone at 2.8 Angstrom resolution | | Descriptor: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gao, S, Yao, X, Yan, N. | | Deposit date: | 2022-08-20 | | Release date: | 2022-12-07 | | Last modified: | 2022-12-21 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
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8E58
 | | Rabbit L-type voltage-gated calcium channel Cav1.1 in the presence of Amiodarone and 1 mM MNI-1 at 3.0 Angstrom resolution | | Descriptor: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gao, S, Yao, X, Yan, N. | | Deposit date: | 2022-08-20 | | Release date: | 2022-12-07 | | Last modified: | 2022-12-21 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
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8FYM
 | | Crystal structure of Fab235 in complex with MPER peptide | | Descriptor: | ALA-SER-LEU-TRP-ASN-TRP-PHE-ASN-ILE-THR-ASN-TRP-LEU-TRP-TYR-ILE-LYS-LYS-LYS, CHLORIDE ION, Fab235, ... | | Authors: | Tan, K, Kim, M, Reinherz, E.L. | | Deposit date: | 2023-01-26 | | Release date: | 2023-10-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Inadequate structural constraint on Fab approach rather than paratope elicitation limits HIV-1 MPER vaccine utility.
Nat Commun, 14, 2023
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8FWF
 | | Crystal structure of Apo form Fab235 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Tan, K, Kim, M, Reinherz, E.L. | | Deposit date: | 2023-01-21 | | Release date: | 2023-10-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Inadequate structural constraint on Fab approach rather than paratope elicitation limits HIV-1 MPER vaccine utility.
Nat Commun, 14, 2023
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8FXJ
 | | Crystal structure of Fab460 | | Descriptor: | ACETATE ION, CHLORIDE ION, Fab460, ... | | Authors: | Tan, K, Kim, M, Reinherz, E.L. | | Deposit date: | 2023-01-24 | | Release date: | 2023-10-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Inadequate structural constraint on Fab approach rather than paratope elicitation limits HIV-1 MPER vaccine utility.
Nat Commun, 14, 2023
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8FZ2
 | | Crystal structure of Fab460 in complex with MPER peptide | | Descriptor: | Fab460, H chain, L chain, ... | | Authors: | Tan, K, Kim, M, Reinherz, E.L. | | Deposit date: | 2023-01-27 | | Release date: | 2023-10-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Inadequate structural constraint on Fab approach rather than paratope elicitation limits HIV-1 MPER vaccine utility.
Nat Commun, 14, 2023
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6XDB
 | | Crystal structure of IRE1a in complex with G-6904 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-amino-N-(6-chloro-2-fluoro-3-{[(2-fluorophenyl)sulfonyl]amino}phenyl)-6-(1,3-dimethyl-1H-pyrazol-4-yl)quinazoline-8-carboxamide, Serine/threonine-protein kinase/endoribonuclease IRE1 | | Authors: | Wallweber, H.A, Weiru, W. | | Deposit date: | 2020-06-10 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1 alpha Inhibitory Activity.
Acs Med.Chem.Lett., 11, 2020
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7D9M
 | | grass carp interleukin-2 | | Descriptor: | Interleukin | | Authors: | Junya, w, Jun, z. | | Deposit date: | 2020-10-13 | | Release date: | 2020-10-28 | | Last modified: | 2020-11-11 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Structural insights into the co-evolution of IL-2 and its private receptor in fish.
Dev.Comp.Immunol., 115, 2020
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5GNK
 | | Crystal structure of EGFR 696-988 T790M in complex with LXX-6-34 | | Descriptor: | 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, CHLORIDE ION, ... | | Authors: | Yan, X.E, Yun, C.H. | | Deposit date: | 2016-07-21 | | Release date: | 2017-04-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.796 Å) | | Cite: | Discovery of (R)-1-(3-(4-Amino-3-(3-chloro-4-(pyridin-2-ylmethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (CHMFL-EGFR-202) as a Novel Irreversible EGFR Mutant Kinase Inhibitor with a Distinct Binding Mode.
J. Med. Chem., 60, 2017
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5GTY
 | | Crystal structure of EGFR 696-1022 T790M in complex with LXX-6-26 | | Descriptor: | 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, Epidermal growth factor receptor | | Authors: | Yan, X.E, Yun, C.H. | | Deposit date: | 2016-08-23 | | Release date: | 2017-09-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.14 Å) | | Cite: | Discovery and characterization of a novel irreversible EGFR mutants selective and potent kinase inhibitor CHMFL-EGFR-26 with a distinct binding mode.
Oncotarget, 8, 2017
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4DBH
 | | Crystal structure of Cg1458 with inhibitor | | Descriptor: | 2-HYDROXYHEPTA-2,4-DIENE-1,7-DIOATE ISOMERASE, MAGNESIUM ION, OXALATE ION | | Authors: | Ran, T.T, Wang, W.W, Xu, D.Q, Gao, Y.Y. | | Deposit date: | 2012-01-15 | | Release date: | 2012-11-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Crystal structures of Cg1458 reveal a catalytic lid domain and a common catalytic mechanism for FAH family.
Biochem.J., 449, 2013
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8GPY
 | | Crystal structure of Omicron BA.4/5 RBD in complex with a neutralizing antibody scFv | | Descriptor: | Spike protein S1, scFv | | Authors: | Gao, Y.X, Song, Z.D, Wang, W.M, Guo, Y. | | Deposit date: | 2022-08-27 | | Release date: | 2023-06-28 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
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7D0J
 | | Photosystem I-LHCI-LHCII of Chlamydomonas reinhardtii | | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | Authors: | Wang, W.D, Shen, L.L, Huang, Z.H, Han, G.Y, Zhang, X, Shen, J.R. | | Deposit date: | 2020-09-10 | | Release date: | 2021-03-03 | | Method: | ELECTRON MICROSCOPY (3.42 Å) | | Cite: | Structure of photosystem I-LHCI-LHCII from the green alga Chlamydomonas reinhardtii in State 2.
Nat Commun, 12, 2021
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4LN0
 | | Crystal structure of the VGLL4-TEAD4 complex | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Transcription cofactor vestigial-like protein 4, ... | | Authors: | Wang, H, Shi, Z, Zhou, Z. | | Deposit date: | 2013-07-11 | | Release date: | 2014-02-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.896 Å) | | Cite: | A Peptide Mimicking VGLL4 Function Acts as a YAP Antagonist Therapy against Gastric Cancer.
Cancer Cell, 25, 2014
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4C13
 | | x-ray crystal structure of Staphylococcus aureus MurE with UDP-MurNAc- Ala-Glu-Lys | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Ruane, K.M, Roper, D.I, Fulop, V, Barreteau, H, Boniface, A, Dementin, S, Blanot, D, Mengin-Lecreulx, D, Gobec, S, Dessen, A, Dowson, C.G, Lloyd, A.J. | | Deposit date: | 2013-08-09 | | Release date: | 2013-10-02 | | Last modified: | 2021-03-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of a first-in-class CDK2 selective degrader for AML differentiation therapy.
Nat.Chem.Biol., 2021
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7D6V
 | | Mycobacterium smegmatis Sdh1 in complex with UQ1 | | Descriptor: | (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | | Authors: | Zhou, X, Gao, Y, Wang, Q, Gong, H, Rao, Z. | | Deposit date: | 2020-10-02 | | Release date: | 2021-04-07 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (2.53 Å) | | Cite: | Architecture of the mycobacterial succinate dehydrogenase with a membrane-embedded Rieske FeS cluster.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7D6X
 | | Mycobacterium smegmatis Sdh1 complex in the apo form | | Descriptor: | (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | | Authors: | Zhou, X, Gao, Y, Wang, Q, Gong, H, Rao, Z. | | Deposit date: | 2020-10-02 | | Release date: | 2021-04-07 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.88 Å) | | Cite: | Architecture of the mycobacterial succinate dehydrogenase with a membrane-embedded Rieske FeS cluster.
Proc.Natl.Acad.Sci.USA, 118, 2021
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4FFV
 | | Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with 11A19 Fab | | Descriptor: | 11A19 Fab heavy chain, 11A19 Fab light chain, Dipeptidyl peptidase 4 | | Authors: | Wang, Z, Sudom, A, Walker, N.P, Min, X. | | Deposit date: | 2012-06-01 | | Release date: | 2012-12-12 | | Last modified: | 2021-05-19 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition
To be published
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8GOU
 | | Omicron BA.4/5 SARS-CoV-2 S in complex with TH003 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH003 Fab heavy chain, ... | | Authors: | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | | Deposit date: | 2022-08-25 | | Release date: | 2023-06-28 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
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8H9I
 | | Human ATP synthase F1 domain, state2 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase subunit O, ... | | Authors: | Lai, Y, Zhang, Y, Liu, F, Gao, Y, Gong, H, Rao, Z. | | Deposit date: | 2022-10-25 | | Release date: | 2023-05-31 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.77 Å) | | Cite: | Structure of the human ATP synthase.
Mol.Cell, 83, 2023
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8H9Q
 | | Human ATP synthase state 3b subregion 3 | | Descriptor: | ATP synthase F(0) complex subunit B1, mitochondrial, ATP synthase F(0) complex subunit C1, ... | | Authors: | Lai, Y, Zhang, Y, Liu, F, Gao, Y, Gong, H, Rao, Z. | | Deposit date: | 2022-10-25 | | Release date: | 2023-05-31 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | Structure of the human ATP synthase.
Mol.Cell, 83, 2023
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8H9R
 | | Human ATP synthase state 3b subregion 2 | | Descriptor: | ATP synthase F(0) complex subunit B1, mitochondrial, ATP synthase subunit d, ... | | Authors: | Lai, Y, Zhang, Y, Liu, F, Gao, Y, Gong, H, Rao, Z. | | Deposit date: | 2022-10-25 | | Release date: | 2023-05-31 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.97 Å) | | Cite: | Structure of the human ATP synthase.
Mol.Cell, 83, 2023
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8H9P
 | | Human ATP synthase F1 domain, state 3b | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase subunit O, ... | | Authors: | Lai, Y, Zhang, Y, Liu, F, Gao, Y, Gong, H, Rao, Z. | | Deposit date: | 2022-10-25 | | Release date: | 2023-05-31 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.02 Å) | | Cite: | Structure of the human ATP synthase.
Mol.Cell, 83, 2023
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8H9U
 | | Human ATP synthase state 3a (combined) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase F(0) complex subunit B1, ... | | Authors: | Lai, Y, Zhang, Y, Liu, F, Gao, Y, Gong, H, Rao, Z. | | Deposit date: | 2022-10-25 | | Release date: | 2023-05-31 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.61 Å) | | Cite: | Structure of the human ATP synthase.
Mol.Cell, 83, 2023
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8H9V
 | | Human ATP synthase state 3b (combined) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase F(0) complex subunit B1, ... | | Authors: | Lai, Y, Zhang, Y, Liu, F, Gao, Y, Gong, H, Rao, Z. | | Deposit date: | 2022-10-25 | | Release date: | 2023-05-31 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.02 Å) | | Cite: | Structure of the human ATP synthase.
Mol.Cell, 83, 2023
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