8W3W
 
 | | Crystal structure of IRAK4 in complex with compound 4 | | Descriptor: | 7-methoxy-1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}isoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4 | | Authors: | Han, S, Knafels, J.D. | | Deposit date: | 2024-02-22 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.976 Å) | | Cite: | In Retrospect: Root-Cause Analysis of Structure-Activity Relationships in IRAK4 Inhibitor Zimlovisertib (PF-06650833).
Acs Med.Chem.Lett., 15, 2024
|
|
8W3X
 | | Crystal structure of IRAK4 in complex with compound 6 | | Descriptor: | 7-ethoxy-1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}isoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4 | | Authors: | Han, S, Knafels, J.D. | | Deposit date: | 2024-02-22 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.765 Å) | | Cite: | In Retrospect: Root-Cause Analysis of Structure-Activity Relationships in IRAK4 Inhibitor Zimlovisertib (PF-06650833).
Acs Med.Chem.Lett., 15, 2024
|
|
3FZP
 | | Crystal structure of PYK2 complexed with ATPgS | | Descriptor: | PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Protein tyrosine kinase 2 beta, SULFATE ION | | Authors: | Han, S. | | Deposit date: | 2009-01-26 | | Release date: | 2009-03-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
|
|
3FZT
 | | Crystal structure of PYK2 complexed with PF-4618433 | | Descriptor: | 1-[5-tert-butyl-2-(4-methylphenyl)-1,2-dihydro-3H-pyrazol-3-ylidene]-3-{3-[(pyridin-3-yloxy)methyl]-1H-pyrazol-5-yl}urea, Protein tyrosine kinase 2 beta | | Authors: | Han, S. | | Deposit date: | 2009-01-26 | | Release date: | 2009-03-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
|
|
3FZO
 | | Crystal Structure of PYK2-Apo, Proline-rich Tyrosine Kinase | | Descriptor: | Protein tyrosine kinase 2 beta | | Authors: | Han, S. | | Deposit date: | 2009-01-26 | | Release date: | 2009-03-31 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
|
|
3FZR
 | | Crystal structure of PYK2 complexed with PF-431396 | | Descriptor: | N-methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide, PHOSPHATE ION, Protein tyrosine kinase 2 beta | | Authors: | Han, S. | | Deposit date: | 2009-01-26 | | Release date: | 2009-03-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
|
|
3U1R
 | | Structure Analysis of A New Psychrophilic Marine Protease | | Descriptor: | Alkaline metalloprotease, CALCIUM ION, ZINC ION | | Authors: | Zhang, S.-C, Sun, M, Tang, L, Wang, Q.-H, Hao, J.-H, Han, Y, Hu, X.-J, Zhou, M, Lin, S.-X. | | Deposit date: | 2011-09-30 | | Release date: | 2012-10-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure analysis of a new psychrophilic marine protease.
Plos One, 6, 2011
|
|
3T9T
 | | Crystal structure of BTK mutant (F435T,K596R) complexed with Imidazo[1,5-a]quinoxaline | | Descriptor: | (2Z)-4-(dimethylamino)-N-{7-fluoro-4-[(2-methylphenyl)amino]imidazo[1,5-a]quinoxalin-8-yl}-N-methylbut-2-enamide, GLYCEROL, Tyrosine-protein kinase ITK/TSK | | Authors: | Han, S, Caspers, N. | | Deposit date: | 2011-08-03 | | Release date: | 2011-10-12 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Imidazo[1,5-a]quinoxalines as irreversible BTK inhibitors for the treatment of rheumatoid arthritis.
Bioorg.Med.Chem.Lett., 21, 2011
|
|
3TGE
 | | A novel series of potent and selective PDE5 inhibitor1 | | Descriptor: | 7-(6-methoxypyridin-3-yl)-3-{[2-(morpholin-4-yl)ethyl]amino}-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1H)-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Han, S. | | Deposit date: | 2011-08-17 | | Release date: | 2011-11-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Investigation of the pyrazinones as PDE5 inhibitors: Evaluation of regioisomeric projections into the solvent region.
Bioorg.Med.Chem.Lett., 21, 2011
|
|
3TGG
 | | A novel series of potent and selective PDE5 inhibitor2 | | Descriptor: | 7-(6-methoxypyridin-3-yl)-4-{[2-(propan-2-yloxy)ethyl]amino}-1-(2-propoxyethyl)pyrido[4,3-d]pyrimidin-2(1H)-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Han, S. | | Deposit date: | 2011-08-17 | | Release date: | 2012-01-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Investigation of the pyrazinones as PDE5 inhibitors: evaluation of regioisomeric projections into the solvent region.
Bioorg.Med.Chem.Lett., 21, 2011
|
|
5JYP
 | | Allosteric inhibition of Kidney Isoform of Glutaminase | | Descriptor: | 2-phenyl-~{N}-[5-[(1~{S},3~{S})-3-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial | | Authors: | Ramachandran, S, Sivaraman, J. | | Deposit date: | 2016-05-15 | | Release date: | 2016-08-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Structural basis for exploring the allosteric inhibition of human kidney type glutaminase.
Oncotarget, 7, 2016
|
|
6KAF
 | | C2S2M2N2-type PSII-LHCII | | 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: | Chang, S.H, Shen, L.L, Huang, Z.H, Wang, W.D, Han, G.Y, Shen, J.R, Zhang, X. | | Deposit date: | 2019-06-22 | | Release date: | 2019-10-23 | | Last modified: | 2019-11-20 | | Method: | ELECTRON MICROSCOPY (3.73 Å) | | Cite: | Structure of a C2S2M2N2-type PSII-LHCII supercomplex from the green algaChlamydomonas reinhardtii.
Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
8JZX
 | | SLC15A4 inhibitor complex | | Descriptor: | 2-(4-ethoxyphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]quinoline-4-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | | Authors: | Zhang, S.S, Chen, X.D, Xie, M. | | Deposit date: | 2023-07-06 | | Release date: | 2023-09-27 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | A conformation-locking inhibitor of SLC15A4 with TASL proteostatic anti-inflammatory activity.
Nat Commun, 14, 2023
|
|
8JZS
 | | Outward-facing SLC15A4 dimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, lysosomal transporter | | Authors: | Zhang, S.S, Chen, X.D, Xie, M. | | Deposit date: | 2023-07-06 | | Release date: | 2023-09-27 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Structural basis for recruitment of TASL by SLC15A4 in human endolysosomal TLR signaling.
Nat Commun, 14, 2023
|
|
8JZU
 | | SLC15A4_TASL complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, TLR adapter interacting with SLC15A4 on the lysosome, lysosomal transporter | | Authors: | Zhang, S.S, Chen, X.D, Xie, M. | | Deposit date: | 2023-07-06 | | Release date: | 2023-09-27 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Structural basis for recruitment of TASL by SLC15A4 in human endolysosomal TLR signaling.
Nat Commun, 14, 2023
|
|
8JZR
 | | Outward_facing SLC15A4 monomer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, lysosomal transporter,ALFA tag | | Authors: | Zhang, S.S, Chen, X.D, Xie, M. | | Deposit date: | 2023-07-06 | | Release date: | 2023-09-27 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Structural basis for recruitment of TASL by SLC15A4 in human endolysosomal TLR signaling.
Nat Commun, 14, 2023
|
|
4QTK
 | | Complex of WOPR domain of Wor1 in Candida albicans with the 17bp dsDNA | | Descriptor: | DNA (5'-D(*AP*AP*GP*TP*TP*AP*AP*AP*CP*TP*TP*TP*TP*TP*TP*GP*A)-3'), DNA (5'-D(*TP*CP*AP*AP*AP*AP*AP*AP*GP*TP*TP*TP*AP*AP*CP*TP*T)-3'), White-opaque regulator 1 | | Authors: | Zhang, S, Zhang, T, Ding, J. | | Deposit date: | 2014-07-08 | | Release date: | 2014-08-13 | | Last modified: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Crystal structure of the WOPR-DNA complex and implications for Wor1 function in white-opaque switching of Candida albicans.
Cell Res., 24, 2014
|
|
8JPO
 | | Cryo-EM structure of ATP bound human ClC-6 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, H(+)/Cl(-) exchange transporter 6, ... | | Authors: | Zhang, S.S. | | Deposit date: | 2023-06-12 | | Release date: | 2023-09-20 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Molecular basis of ClC-6 function and its impairment in human disease
Sci Adv, 2023
|
|
8JPJ
 | | Cryo-EM structure of ClC-6 apo state | | Descriptor: | CHLORIDE ION, H(+)/Cl(-) exchange transporter 6 | | Authors: | Zhang, S.S. | | Deposit date: | 2023-06-12 | | Release date: | 2023-09-20 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Molecular basis of ClC-6 function and its impairment in human disease
Sci Adv, 2023
|
|
7XQP
 | | PSI-LHCI-LHCII-Lhcb9 supercomplex of Physcomitrella patens | | 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: | Zhang, S, Tang, K.L, Li, X.Y, Wang, W.D, Yan, Q.J, Shen, L.L, Kuang, T.Y, Han, G.Y, Shen, J.R, Zhang, X. | | Deposit date: | 2022-05-08 | | Release date: | 2023-04-26 | | Last modified: | 2023-06-07 | | Method: | ELECTRON MICROSCOPY (2.68 Å) | | Cite: | Structural insights into a unique PSI-LHCI-LHCII-Lhcb9 supercomplex from moss Physcomitrium patens.
Nat.Plants, 9, 2023
|
|
2PH9
 | | Galanthamine bound to an ACh-binding Protein | | Descriptor: | (-)-GALANTHAMINE, Soluble acetylcholine receptor, TETRAETHYLENE GLYCOL | | Authors: | Hansen, S.B, Taylor, P. | | Deposit date: | 2007-04-10 | | Release date: | 2007-07-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Galanthamine and non-competitive inhibitor binding to ACh-binding protein: evidence for a binding site on non-alpha-subunit interfaces of heteromeric neuronal nicotinic receptors.
J.Mol.Biol., 369, 2007
|
|
8WWV
 | | 1-naphthylamine GS in complex with ADP and MetSox-P | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Glutamine synthetase, L-METHIONINE-S-SULFOXIMINE PHOSPHATE, ... | | Authors: | Zhang, S.T, Zhou, N.Y. | | Deposit date: | 2023-10-26 | | Release date: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of the 1-naphthylamine biodegradation pathway reveals a glutamine synthetase-like protein that catalyzes 1-naphthylamine glutamylation
To Be Published
|
|
4R42
 | | Crystal structure of KatB, a manganese catalase from Anabaena PCC7120 | | Descriptor: | Alr3090 protein, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Bihani, S.C. | | Deposit date: | 2014-08-19 | | Release date: | 2015-08-19 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.902 Å) | | Cite: | KatB, a cyanobacterial Mn-catalase with unique active site configuration: Implications for enzyme function.
Free Radic. Biol. Med., 93, 2016
|
|
5YY5
 | | Structural definition of a unique neutralization epitope on the receptor-binding domain of MERS-CoV spike glycoprotein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain, Light chain, ... | | Authors: | Zhang, S, Wang, P, Zhou, P, Wang, X, Zhang, L. | | Deposit date: | 2017-12-08 | | Release date: | 2018-08-01 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Definition of a Unique Neutralization Epitope on the Receptor-Binding Domain of MERS-CoV Spike Glycoprotein
Cell Rep, 24, 2018
|
|
8WWU
 | | 1-naphthylamine GS in complex with AMP PNP | | Descriptor: | Glutamine synthetase, MAGNESIUM ION, MANGANESE (II) ION, ... | | Authors: | Zhang, S.T, Zhou, N.Y. | | Deposit date: | 2023-10-26 | | Release date: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of the 1-naphthylamine biodegradation pathway reveals a glutamine synthetase-like protein that catalyzes 1-naphthylamine glutamylation
To Be Published
|
|
