8EX4
 
 | | Human S1P transporter Spns2 in an inward-facing open conformation (state 1) | | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Sphingosine-1-phosphate transporter SPNS2 | | Authors: | Ahmed, S, Zhao, H, Dai, Y, Lee, C.H. | | Deposit date: | 2022-10-24 | | Release date: | 2023-05-31 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Structural and functional insights into Spns2-mediated transport of sphingosine-1-phosphate.
Cell, 186, 2023
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8DDU
 | | cryo-EM structure of TRPM3 ion channel in the presence of PIP2, state3 | | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, ... | | Authors: | Zhao, C, MacKinnon, R. | | Deposit date: | 2022-06-19 | | Release date: | 2022-11-02 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural and functional analyses of a GPCR-inhibited ion channel TRPM3.
Neuron, 111, 2023
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8DDQ
 | | cryo-EM structure of TRPM3 ion channel in the presence of soluble Gbg, focused on channel | | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, ... | | Authors: | Zhao, C, MacKinnon, R. | | Deposit date: | 2022-06-18 | | Release date: | 2022-11-02 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural and functional analyses of a GPCR-inhibited ion channel TRPM3.
Neuron, 111, 2023
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8DDS
 | | cryo-EM structure of TRPM3 ion channel in the presence of PIP2, state1 | | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, ... | | Authors: | Zhao, C, MacKinnon, R. | | Deposit date: | 2022-06-18 | | Release date: | 2022-11-02 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural and functional analyses of a GPCR-inhibited ion channel TRPM3.
Neuron, 111, 2023
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8DDT
 | | cryo-EM structure of TRPM3 ion channel in the presence of PIP2, state2 | | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, ... | | Authors: | Zhao, C, MacKinnon, R. | | Deposit date: | 2022-06-18 | | Release date: | 2022-11-02 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural and functional analyses of a GPCR-inhibited ion channel TRPM3.
Neuron, 111, 2023
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8DC8
 | | Crystal structure of p53 Y220C covalently bound to azaindole KG13 | | Descriptor: | 2-methyl-1-[(4P)-3-methyl-4-(2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrrolo[2,3-c]pyridin-1-yl]prop-2-en-1-one, bound form, Cellular tumor antigen p53, ... | | Authors: | Guiley, K.Z, Shokat, K.M. | | Deposit date: | 2022-06-15 | | Release date: | 2022-10-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7200973 Å) | | Cite: | A Small Molecule Reacts with the p53 Somatic Mutant Y220C to Rescue Wild-type Thermal Stability.
Cancer Discov, 13, 2023
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8DDR
 | | cryo-EM structure of TRPM3 ion channel in the absence of PIP2 | | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, ... | | Authors: | Zhao, C, MacKinnon, R. | | Deposit date: | 2022-06-18 | | Release date: | 2022-11-02 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural and functional analyses of a GPCR-inhibited ion channel TRPM3.
Neuron, 111, 2023
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8DDX
 | | cryo-EM structure of TRPM3 ion channel in complex with Gbg in the presence of PIP2, tethered by ALFA-nanobody | | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zhao, C, MacKinnon, R. | | Deposit date: | 2022-06-19 | | Release date: | 2022-11-02 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural and functional analyses of a GPCR-inhibited ion channel TRPM3.
Neuron, 111, 2023
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8DDV
 | | Cryo-EM structure of TRPM3 ion channel in the presence of PIP2, state4 | | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, ... | | Authors: | Zhao, C, MacKinnon, R. | | Deposit date: | 2022-06-19 | | Release date: | 2022-11-02 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural and functional analyses of a GPCR-inhibited ion channel TRPM3.
Neuron, 111, 2023
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4WZC
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4HNP
 | | Crystal structure of yeast 20S proteasome in complex with vinylketone carmaphycin analogue VNK1 | | Descriptor: | N-hexanoyl-L-valyl-N~1~-[(3S,4S)-3-hydroxy-2,6-dimethylhept-1-en-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide, N-hexanoyl-L-valyl-N~1~-[(3S,4S)-3-hydroxy-2,6-dimethylheptan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide, Proteasome component C1, ... | | Authors: | Trivella, D.B.B, Stein, M, Groll, M. | | Deposit date: | 2012-10-20 | | Release date: | 2014-01-29 | | Last modified: | 2014-07-02 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Enzyme inhibition by hydroamination: design and mechanism of a hybrid carmaphycin-syringolin enone proteasome inhibitor.
Chem.Biol., 21, 2014
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4HSH
 | | tRNA-guanine transglycosylase Y106F, V233G mutant in complex with queuine | | Descriptor: | 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | | Authors: | Biela, I, Tidten-Luksch, N, Heine, A, Reuter, K, Klebe, G. | | Deposit date: | 2012-10-30 | | Release date: | 2012-11-28 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Investigation of Specificity Determinants in Bacterial tRNA-Guanine Transglycosylase Reveals Queuine, the Substrate of Its Eucaryotic Counterpart, as Inhibitor.
Plos One, 8, 2013
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4HVX
 | | tRNA-guanine transglycosylase Y106F, C158V mutant in complex with queuine | | Descriptor: | 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | | Authors: | Biela, I, Tidten-Luksch, N, Heine, A, Reuter, K, Klebe, G. | | Deposit date: | 2012-11-07 | | Release date: | 2012-12-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Investigation of Specificity Determinants in Bacterial tRNA-Guanine Transglycosylase Reveals Queuine, the Substrate of Its Eucaryotic Counterpart, as Inhibitor.
Plos One, 8, 2013
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4XLY
 | | The complex structure of KS-D75C with substrate CPP | | Descriptor: | (2E)-3-methyl-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate, Uncharacterized protein blr2150 | | Authors: | Hu, Y, Zheng, Y, Ko, T.P, Liu, W, Guo, R.T. | | Deposit date: | 2015-01-14 | | Release date: | 2015-02-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structure, function and inhibition of ent-kaurene synthase from Bradyrhizobium japonicum.
Sci Rep, 4, 2014
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4WV7
 | | HEAT SHOCK PROTEIN 70 SUBSTRATE BINDING DOMAIN WITH COVALENTLY LINKED NOVOLACTONE | | Descriptor: | (5beta,6alpha,8alpha,14alpha)-13-ethenyl-5,6-dihydroxy-14-methylpodocarp-12-en-15-oic acid, Heat shock 70 kDa protein 1A/1B | | Authors: | Kirby, C.A, Baird, J, Stams, T. | | Deposit date: | 2014-11-04 | | Release date: | 2015-01-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | The novolactone natural product disrupts the allosteric regulation of hsp70.
Chem.Biol., 22, 2015
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4WEL
 | | Crystal structure of Pseudomonas aeruginosa PBP3 with SMC-3176 | | Descriptor: | (3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-3,10,10-trimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid, Penicillin-binding protein 3 | | Authors: | Ferguson, A.D. | | Deposit date: | 2014-09-10 | | Release date: | 2015-04-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3.
Acs Med.Chem.Lett., 6, 2015
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4X6E
 | | CD1a binary complex with lysophosphatidylcholine | | Descriptor: | (4R,7R,18Z)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide, Beta-2-microglobulin, D-MALATE, ... | | Authors: | Birkinshaw, R.W, Rossjohn, J. | | Deposit date: | 2014-12-08 | | Release date: | 2015-01-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | alpha beta T cell antigen receptor recognition of CD1a presenting self lipid ligands.
Nat.Immunol., 16, 2015
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4IW6
 | | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 7b | | Descriptor: | 4-[2-(but-3-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2013-01-23 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
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4IW8
 | | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY-derivative, 9a | | Descriptor: | 4-[1-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2013-01-23 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.0375 Å) | | Cite: | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
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4WVF
 | | Crystal structure of KPT276 in complex with CRM1-Ran-RanBP1 | | Descriptor: | (2E)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-1-(3,3-difluoroazetidin-1-yl)prop-2-en-1-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Sun, Q, Chook, Y. | | Deposit date: | 2014-11-05 | | Release date: | 2015-07-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Nuclear export inhibitors avert progression in preclinical models of inflammatory demyelination.
Nat.Neurosci., 18, 2015
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4X91
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4WEK
 | | Crystal structure of Pseudomonas aeruginosa PBP3 with a R4 substituted vinyl monocarbam | | Descriptor: | (3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-3-ethenyl-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid, Penicillin-binding protein 3 | | Authors: | Ferguson, A.D. | | Deposit date: | 2014-09-10 | | Release date: | 2015-04-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3.
Acs Med.Chem.Lett., 6, 2015
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4X5R
 | | Crystal structure of FimH in complex with a squaryl-phenyl alpha-D-mannopyranoside derivative | | Descriptor: | 2-chloro-4-{[2-(4-methylpiperazin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}phenyl alpha-D-mannopyranoside, Protein FimH, SULFATE ION | | Authors: | Preston, R.C, Jakob, R.P, Fiege, B, Zihlmann, P, Rabbani, S, Schwardt, O, Jiang, X, Ernst, B, Maier, T. | | Deposit date: | 2014-12-05 | | Release date: | 2015-05-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography.
Chembiochem, 16, 2015
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4IVQ
 | | Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with IN43/5 | | Descriptor: | 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-4-methoxy-1,5-dimethylpyrimidin-2(1H)-one, SULFATE ION, Thymidine kinase | | Authors: | Pernot, L, Novakovic, I, Westermaier, Y, Perozzo, R, Raic-Malic, S, Scapozza, L. | | Deposit date: | 2013-01-23 | | Release date: | 2013-02-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | New thymine derivatives as HSV1-TK ligand for the development of PET imaging tracer
To be Published
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4XUI
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