8SIY
 
 | |
8SIX
 | | Structure of Compound 13 bound to the CHK1 10-point mutant | | Descriptor: | (1S)-N-(7-chloro-6-{4-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperazin-1-yl}isoquinolin-3-yl)-6-oxaspiro[2.5]octane-1-carboxamide, Serine/threonine-protein kinase Chk1 | | Authors: | Palte, R.L. | | Deposit date: | 2023-04-17 | | Release date: | 2023-11-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery of MK-1468: A Potent, Kinome-Selective, Brain-Penetrant Amidoisoquinoline LRRK2 Inhibitor for the Potential Treatment of Parkinson's Disease.
J.Med.Chem., 66, 2023
|
|
8SIW
 | | Structure of Compound 5 bound to the CHK1 10-point mutant | | Descriptor: | (1S,2S)-N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide, Serine/threonine-protein kinase Chk1 | | Authors: | Palte, R.L. | | Deposit date: | 2023-04-17 | | Release date: | 2023-11-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.877 Å) | | Cite: | Discovery of MK-1468: A Potent, Kinome-Selective, Brain-Penetrant Amidoisoquinoline LRRK2 Inhibitor for the Potential Treatment of Parkinson's Disease.
J.Med.Chem., 66, 2023
|
|
8SIV
 | | Structure of Compound 2 bound to the CHK1 10-point mutant | | Descriptor: | N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)cyclopropanecarboxamide, Serine/threonine-protein kinase Chk1 | | Authors: | Palte, R.L. | | Deposit date: | 2023-04-17 | | Release date: | 2023-11-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.759 Å) | | Cite: | Discovery of MK-1468: A Potent, Kinome-Selective, Brain-Penetrant Amidoisoquinoline LRRK2 Inhibitor for the Potential Treatment of Parkinson's Disease.
J.Med.Chem., 66, 2023
|
|
8SIU
 | |
8SIT
 | |
8SIS
 | |
8SIR
 | |
8SIQ
 | |
8SIP
 | |
8SIO
 | | Crystal structure of PRMT3 with YD1-66 | | Descriptor: | 5'-S-{3-[N'-(4'-chloro[1,1'-biphenyl]-3-yl)carbamimidamido]propyl}-5'-thioadenosine, Protein arginine N-methyltransferase 3 | | Authors: | Song, X, Dong, A, Arrowsmith, C.H, Edwards, A.M, Deng, Y, Huang, R, Min, J. | | Deposit date: | 2023-04-16 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of PRMT3 with YD1-66
To be published
|
|
8SIN
 | | KCNQ1 with voltage sensor in the down conformation | | Descriptor: | Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 1 | | Authors: | Mandala, V.S, MacKinnon, R. | | Deposit date: | 2023-04-16 | | Release date: | 2023-05-31 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (6.8 Å) | | Cite: | The membrane electric field regulates the PIP 2 -binding site to gate the KCNQ1 channel.
Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8SIM
 | | KCNQ1 with voltage sensor in the intermediate conformation | | Descriptor: | CALCIUM ION, Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 1 | | Authors: | Mandala, V.S, MacKinnon, R. | | Deposit date: | 2023-04-16 | | Release date: | 2023-05-31 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (6.2 Å) | | Cite: | The membrane electric field regulates the PIP 2 -binding site to gate the KCNQ1 channel.
Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8SIL
 | | Lysozyme crystallized in cyclic olefin copolymer-based microfluidic chips | | Descriptor: | Lysozyme C | | Authors: | Liu, Z, Gu, K, Shelby, M.L, Gilbile, D, Lyubimov, A.Y, Russi, S, Cohen, A.E, Coleman, M.A, Frank, M, Kuhl, T.L, Botha, S, Poitevin, F, Sierra, R.G. | | Deposit date: | 2023-04-16 | | Release date: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A user-friendly plug-and-play cyclic olefin copolymer-based microfluidic chip for room-temperature, fixed-target serial crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
|
|
8SIK
 | | KCNQ1 with voltage sensor in the up conformation | | Descriptor: | CALCIUM ION, Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 1 | | Authors: | Mandala, V.S, MacKinnon, R. | | Deposit date: | 2023-04-16 | | Release date: | 2023-05-31 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | The membrane electric field regulates the PIP 2 -binding site to gate the KCNQ1 channel.
Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8SIJ
 | | Crystal structure of F. varium tryptophanase | | Descriptor: | CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, Tryptophanase 1, ... | | Authors: | Graboski, A.L, Redinbo, M.R. | | Deposit date: | 2023-04-16 | | Release date: | 2023-08-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Mechanism-based inhibition of gut microbial tryptophanases reduces serum indoxyl sulfate.
Cell Chem Biol, 30, 2023
|
|
8SIH
 | | Crystal Structure of PRMT4 with Compound YD1-289 | | Descriptor: | 5'-{[2-(benzylcarbamamido)ethyl][3-(N'-cyclopentylcarbamimidamido)propyl]amino}-5'-deoxyadenosine, CALCIUM ION, Histone-arginine methyltransferase CARM1 | | Authors: | Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-04-16 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal Structure of PRMT4 with Compound YD1-289
To be published
|
|
8SIG
 | | Crystal Structure of PRMT4 with Compound YD1-288 | | Descriptor: | 5'-{(3-aminopropyl)[2-(benzylcarbamamido)ethyl]amino}-5'-deoxyadenosine, Histone-arginine methyltransferase CARM1, SODIUM ION, ... | | Authors: | Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-04-16 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Crystal Structure of PRMT4 with Compound YD1-288
To be published
|
|
8SIE
 | | Pendrin in complex with bicarbonate | | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, BICARBONATE ION, CHOLESTEROL, ... | | Authors: | Wang, L, Hoang, A, Zhou, M. | | Deposit date: | 2023-04-16 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Mechanism of anion exchange and small-molecule inhibition of pendrin.
Nat Commun, 15, 2024
|
|
8SID
 | |
8SIC
 | | Crystal structure of Epstein-Barr virus glycoprotein 350 (gp350) in complex with Cy137C02, a monoclonal antibody isolated from macaques immunized with a gp350 nanoparticle vaccine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cy137C02 Fab heavy chain, Cy137C02 Fab light chain, ... | | Authors: | Joyce, M.G, Jensen, J.L, Chen, W.H, Kanekiyo, M. | | Deposit date: | 2023-04-14 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Crystal structure of Epstein-Barr virus glycoprotein 350 (gp350) in complex with Cy137C02, a monoclonal antibody isolated from macaques immunized with a gp350 nanoparticle vaccine
To Be Published
|
|
8SIB
 | |
8SIA
 | | Cryo-EM structure of TRPM7 N1098Q mutant in GDN detergent in complex with inhibitor NS8593 in closed state | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, CALCIUM ION, ... | | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | | Deposit date: | 2023-04-14 | | Release date: | 2023-05-17 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (2.91 Å) | | Cite: | Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
|
|
8SI9
 | |
8SI8
 | | Cryo-EM structure of TRPM7 N1098Q mutant in GDN detergent in complex with inhibitor VER155008 in closed state | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile, ... | | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | | Deposit date: | 2023-04-14 | | Release date: | 2023-05-17 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (2.99 Å) | | Cite: | Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
|
|
