3BFR
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6J6M
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![BU of 6j6m by Molmil](/molmil-images/mine/6j6m) | Co-crystal structure of BTK kinase domain with Zanubrutinib | Descriptor: | (7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, IMIDAZOLE, Tyrosine-protein kinase BTK | Authors: | Zhou, X, Hong, Y. | Deposit date: | 2019-01-15 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J.Med.Chem., 62, 2019
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5XQX
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5XS2
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5E83
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![BU of 5e83 by Molmil](/molmil-images/mine/5e83) | CRYSTAL STRUCTURE OF CARBONMONOXY HEMOGLOBIN S (LIGANDED SICKLE CELL HEMOGLOBIN) COMPLEXED WITH GBT440, CO-CRYSTALLIZATION EXPERIMENT | Descriptor: | 2-methyl-3-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)phenol, CARBON MONOXIDE, GLYCEROL, ... | Authors: | Patskovska, L, Patskovsky, Y, Bonanno, J.B, Almo, S.C. | Deposit date: | 2015-10-13 | Release date: | 2016-07-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | GBT440 increases haemoglobin oxygen affinity, reduces sickling and prolongs RBC half-life in a murine model of sickle cell disease. Br.J.Haematol., 175, 2016
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8J5K
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![BU of 8j5k by Molmil](/molmil-images/mine/8j5k) | Structural insights into photosystem II supercomplex and trimeric FCP antennae of a centric diatom Cyclotella meneghiniana | Descriptor: | (1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]cyclohex-3-en-1-ol, (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, ... | Authors: | Shen, L.L, Li, Z.H, Shen, J.R, Wang, W.D. | Deposit date: | 2023-04-23 | Release date: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | Structural insights into photosystem II supercomplex and trimeric FCP antennae of a centric diatom Cyclotella meneghiniana. Nat Commun, 14, 2023
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8J7Z
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![BU of 8j7z by Molmil](/molmil-images/mine/8j7z) | Structure of FCP trimer in Cyclotella meneghiniana | Descriptor: | (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, CHLOROPHYLL A, ... | Authors: | Shen, L.L, Li, Z.H, Shen, J.R, Wang, W.D. | Deposit date: | 2023-04-28 | Release date: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (2.72 Å) | Cite: | Structural insights into photosystem II supercomplex and trimeric FCP antennae of a centric diatom Cyclotella meneghiniana. Nat Commun, 14, 2023
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2N3X
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7YC9
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![BU of 7yc9 by Molmil](/molmil-images/mine/7yc9) | Co-crystal structure of BTK kinase domain with inhibitor | Descriptor: | (7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, Tyrosine-protein kinase BTK | Authors: | Zhou, X. | Deposit date: | 2022-07-01 | Release date: | 2023-05-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Discovery of BGB-8035, a Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase for B-Cell Malignancies and Autoimmune Diseases. J.Med.Chem., 66, 2023
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4XWW
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![BU of 4xww by Molmil](/molmil-images/mine/4xww) | Crystal structure of RNase J complexed with RNA | Descriptor: | DR2417, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Lu, M, Zhang, H, Xu, Q, Hua, Y, Zhao, Y. | Deposit date: | 2015-01-29 | Release date: | 2015-12-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural insights into catalysis and dimerization enhanced exonuclease activity of RNase J Nucleic Acids Res., 43, 2015
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4XWT
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![BU of 4xwt by Molmil](/molmil-images/mine/4xwt) | Crystal structure of RNase J complexed with UMP | Descriptor: | DR2417, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Lu, M, Zhang, H, Xu, Q, Hua, Y, Zhao, Y. | Deposit date: | 2015-01-29 | Release date: | 2015-12-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | Structural insights into catalysis and dimerization enhanced exonuclease activity of RNase J Nucleic Acids Res., 43, 2015
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4R5Y
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![BU of 4r5y by Molmil](/molmil-images/mine/4r5y) | The complex structure of Braf V600E kinase domain with a novel Braf inhibitor | Descriptor: | 5-({(1R,1aS,6bR)-1-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl}oxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one, Serine/threonine-protein kinase B-raf | Authors: | Feng, Y, Peng, H, Zhang, Y, Liu, Y, Wei, M. | Deposit date: | 2014-08-22 | Release date: | 2016-02-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | BGB-283, a Novel RAF Kinase and EGFR Inhibitor, Displays Potent Antitumor Activity in BRAF-Mutated Colorectal Cancers. Mol.Cancer Ther., 14, 2015
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4XPU
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![BU of 4xpu by Molmil](/molmil-images/mine/4xpu) | The crystal structure of EndoV from E.coli | Descriptor: | Endonuclease V | Authors: | Xie, W, Zhang, Z. | Deposit date: | 2015-01-18 | Release date: | 2015-08-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of E. coli endonuclease V, an essential enzyme for deamination repair Sci Rep, 5, 2015
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4EQC
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![BU of 4eqc by Molmil](/molmil-images/mine/4eqc) | Crystal structure of PAK1 kinase domain in complex with FRAX597 inhibitor | Descriptor: | 6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, CHLORIDE ION, Serine/threonine-protein kinase PAK 1 | Authors: | Maksimoska, J, Marmorstein, R. | Deposit date: | 2012-04-18 | Release date: | 2013-08-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | FRAX597, a Small Molecule Inhibitor of the p21-activated Kinases, Inhibits Tumorigenesis of Neurofibromatosis Type 2 (NF2)-associated Schwannomas. J.Biol.Chem., 288, 2013
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8HAW
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![BU of 8haw by Molmil](/molmil-images/mine/8haw) | An auto-activation mechanism of plant non-specific phospholipase C | Descriptor: | CALCIUM ION, GLYCEROL, Non-specific phospholipase C4, ... | Authors: | Zhao, F, Fan, R.Y, Guan, Z.Y, Guo, L, Yin, P. | Deposit date: | 2022-10-26 | Release date: | 2023-01-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Insights into the mechanism of phospholipid hydrolysis by plant non-specific phospholipase C. Nat Commun, 14, 2023
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8HAV
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![BU of 8hav by Molmil](/molmil-images/mine/8hav) | An auto-activation mechanism of plant non-specific phospholipase C | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Non-specific phospholipase C4 | Authors: | Zhao, F, Fan, R.Y, Guan, Z.Y, Guo, L, Yin, P. | Deposit date: | 2022-10-26 | Release date: | 2023-01-25 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Insights into the mechanism of phospholipid hydrolysis by plant non-specific phospholipase C. Nat Commun, 14, 2023
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7JY7
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![BU of 7jy7 by Molmil](/molmil-images/mine/7jy7) | Structure of a 12 base pair RecA-D loop complex | Descriptor: | DNA (27-MER), DNA (48-MER), MAGNESIUM ION, ... | Authors: | Pavletich, N.P. | Deposit date: | 2020-08-29 | Release date: | 2020-11-04 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Mechanism of strand exchange from RecA-DNA synaptic and D-loop structures. Nature, 586, 2020
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7JY9
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![BU of 7jy9 by Molmil](/molmil-images/mine/7jy9) | Structure of a 9 base pair RecA-D loop complex | Descriptor: | DNA (27-MER), DNA (42-MER), MAGNESIUM ION, ... | Authors: | Pavletich, N.P. | Deposit date: | 2020-08-29 | Release date: | 2020-11-04 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Mechanism of strand exchange from RecA-DNA synaptic and D-loop structures. Nature, 586, 2020
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7JY6
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7JY8
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8CVT
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![BU of 8cvt by Molmil](/molmil-images/mine/8cvt) | Human 19S-20S proteasome, state SD2 | Descriptor: | 26S protease regulatory subunit 10B, 26S protease regulatory subunit 8, 26S proteasome complex subunit SEM1, ... | Authors: | Zhao, J. | Deposit date: | 2022-05-18 | Release date: | 2022-11-02 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insights into the human PA28-20S proteasome enabled by efficient tagging and purification of endogenous proteins. Proc.Natl.Acad.Sci.USA, 119, 2022
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8CVR
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![BU of 8cvr by Molmil](/molmil-images/mine/8cvr) | Human 20S proteasome with MG-132 | Descriptor: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-L-leucinamide, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ... | Authors: | Zhao, J. | Deposit date: | 2022-05-18 | Release date: | 2022-11-02 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural insights into the human PA28-20S proteasome enabled by efficient tagging and purification of endogenous proteins. Proc.Natl.Acad.Sci.USA, 119, 2022
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8CVS
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![BU of 8cvs by Molmil](/molmil-images/mine/8cvs) | Human PA200-20S proteasome with MG-132 | Descriptor: | INOSITOL HEXAKISPHOSPHATE, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-L-leucinamide, Proteasome activator complex subunit 4, ... | Authors: | Zhao, J. | Deposit date: | 2022-05-18 | Release date: | 2022-11-02 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural insights into the human PA28-20S proteasome enabled by efficient tagging and purification of endogenous proteins. Proc.Natl.Acad.Sci.USA, 119, 2022
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8CXB
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![BU of 8cxb by Molmil](/molmil-images/mine/8cxb) | Human PA28-20S (PA28-4a3b) | Descriptor: | Proteasome activator complex subunit 1, Proteasome activator complex subunit 2, Proteasome subunit alpha type-1, ... | Authors: | Zhao, J, Makhija, S, Huang, B, Cheng, Y. | Deposit date: | 2022-05-20 | Release date: | 2022-11-02 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural insights into the human PA28-20S proteasome enabled by efficient tagging and purification of endogenous proteins. Proc.Natl.Acad.Sci.USA, 119, 2022
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8DL5
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