8GTC
 
 | | Cryo-EM model of the marine siphophage vB_DshS-R4C baseplate-tail complex | | Descriptor: | Distal tail protein, Hub protein, Major tail protein, ... | | Authors: | Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N. | | Deposit date: | 2022-09-08 | | Release date: | 2023-07-12 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Structure and proposed DNA delivery mechanism of a marine roseophage.
Nat Commun, 14, 2023
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6IIM
 | | USP14 catalytic domain with IU1-206 | | Descriptor: | 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14 | | Authors: | Mei, Z.Q, Wang, J.W, Wang, F, Wang, Y.W. | | Deposit date: | 2018-10-07 | | Release date: | 2018-12-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade.
Cell Res., 28, 2018
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6IIN
 | | USP14 catalytic domain with IU1-248 | | Descriptor: | 4-{3-[(4-hydroxypiperidin-1-yl)acetyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzonitrile, Ubiquitin carboxyl-terminal hydrolase 14 | | Authors: | Mei, Z.Q, Wang, J.W, Wang, F, Wang, Y.W. | | Deposit date: | 2018-10-07 | | Release date: | 2018-12-19 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade.
Cell Res., 28, 2018
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6IIL
 | | USP14 catalytic domain bind to IU1-47 | | Descriptor: | 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(piperidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14 | | Authors: | Mei, Z.Q, Wang, Y.W, Wang, F, Wang, J.W, He, W, Ding, S, Li, J.W. | | Deposit date: | 2018-10-07 | | Release date: | 2018-12-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade.
Cell Res., 28, 2018
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3SKE
 | | I. Novel HCV NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles | | Descriptor: | 1-[(2-aminopyridin-4-yl)methyl]-3-(2,4-dioxo-1,2-dihydrothieno[3,4-d]pyrimidin-3(4H)-yl)-5-(trifluoromethyl)-1H-indole-2-carboxylic acid, HCV NS5B RNA_DEPENDENT RNA POLYMERASE, PHOSPHATE ION | | Authors: | Lesburg, C.A, Anilkumar, G.N. | | Deposit date: | 2011-06-22 | | Release date: | 2011-08-31 | | Last modified: | 2012-09-26 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | I. Novel HCV NS5B polymerase inhibitors: discovery of indole 2-carboxylic acids with C3-heterocycles.
Bioorg.Med.Chem.Lett., 21, 2011
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3SKA
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8HK5
 | | C5aR1-Gi-C5a protein complex | | Descriptor: | C5a anaphylatoxin chemotactic receptor 1, Complement C5, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Wang, Y, Liu, W, Xu, Y, Zhuang, Y, Xu, H.E. | | Deposit date: | 2022-11-24 | | Release date: | 2023-05-10 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Revealing the signaling of complement receptors C3aR and C5aR1 by anaphylatoxins.
Nat.Chem.Biol., 19, 2023
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8HK3
 | | C3aR-Gi-apo protein complex | | Descriptor: | C3a anaphylatoxin chemotactic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Wang, Y, Liu, W, Xu, Y, Zhuang, Y, Xu, H.E. | | Deposit date: | 2022-11-24 | | Release date: | 2023-05-10 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Revealing the signaling of complement receptors C3aR and C5aR1 by anaphylatoxins.
Nat.Chem.Biol., 19, 2023
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8HK2
 | | C3aR-Gi-C3a protein complex | | Descriptor: | C3a anaphylatoxin, C3a anaphylatoxin chemotactic receptor, CHOLESTEROL, ... | | Authors: | Wang, Y, Liu, W, Xu, Y, Zhuang, Y, Xu, H.E. | | Deposit date: | 2022-11-24 | | Release date: | 2023-05-10 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Revealing the signaling of complement receptors C3aR and C5aR1 by anaphylatoxins.
Nat.Chem.Biol., 19, 2023
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3SKH
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5TIJ
 | | Structure of Human Enolase 2 with ((3S,5S)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonate (purified enantiomer) | | Descriptor: | ((3S,5S)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonic acid, Gamma-enolase, MAGNESIUM ION | | Authors: | Leonard, P.G, Muller, F.L. | | Deposit date: | 2016-10-03 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.634 Å) | | Cite: | Eradication of ENO1-deleted Glioblastoma through Collateral Lethality
Biorxiv, 2019
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5UQ9
 | | Crystal structure of 6-phosphogluconate dehydrogenase with ((4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl dihydrogen phosphate | | Descriptor: | 6-phosphogluconate dehydrogenase, decarboxylating, [(4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl dihydrogen phosphate | | Authors: | Leonard, P.G. | | Deposit date: | 2017-02-07 | | Release date: | 2018-08-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Functional Genomics Reveals Synthetic Lethality between Phosphogluconate Dehydrogenase and Oxidative Phosphorylation.
Cell Rep, 26, 2019
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6A4M
 | | Structure of urate oxidase from Bacillus subtilis 168 | | Descriptor: | GLYCEROL, Uric acid degradation bifunctional protein PucL | | Authors: | Jiang, Y.Y. | | Deposit date: | 2018-06-20 | | Release date: | 2019-06-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of Urate Oxidase from Bacillus Subtilis 168
Crystallography Reports, 64, 2019
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7B1O
 | | Crystal structure of the indoleamine 2,3-dioxygenase 1 (IDO1) in complex with compound 22 | | Descriptor: | 4-chloranyl-N-[(1R)-1-[(1S,5R)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide, Indoleamine 2,3-dioxygenase 1 | | Authors: | Lammens, A, Krapp, S, Lewis, R.T, Hamilton, M.M. | | Deposit date: | 2020-11-25 | | Release date: | 2021-09-29 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme.
J.Med.Chem., 64, 2021
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7SAQ
 | | Cryo-EM structure of TMEM106B fibrils extracted from a FTLD-TDP patient, polymorph 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B | | Authors: | Cao, Q, Jiang, Y, Sawaya, M.R, Eisenberg, D.S. | | Deposit date: | 2021-09-23 | | Release date: | 2022-03-09 | | Last modified: | 2022-05-25 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Amyloid fibrils in FTLD-TDP are composed of TMEM106B and not TDP-43.
Nature, 605, 2022
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7SAS
 | | Cryo-EM structure of TMEM106B fibrils extracted from a FTLD-TDP patient, polymorph 3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B | | Authors: | Cao, Q, Jiang, Y, Sawaya, M.R, Eisenberg, D.S. | | Deposit date: | 2021-09-23 | | Release date: | 2022-03-09 | | Last modified: | 2022-05-25 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Amyloid fibrils in FTLD-TDP are composed of TMEM106B and not TDP-43.
Nature, 605, 2022
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7SAR
 | | Cryo-EM structure of TMEM106B fibrils extracted from a FTLD-TDP patient, polymorph 2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B | | Authors: | Cao, Q, Jiang, Y, Sawaya, M.R, Eisenberg, D.S. | | Deposit date: | 2021-09-23 | | Release date: | 2022-03-09 | | Last modified: | 2022-05-25 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Amyloid fibrils in FTLD-TDP are composed of TMEM106B and not TDP-43.
Nature, 605, 2022
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4PDM
 | | Crystal Structure of K+ selective NaK mutant in rubidium | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Potassium channel protein, RUBIDIUM ION | | Authors: | Lam, Y. | | Deposit date: | 2014-04-19 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | High Resolution Structural Views of Rubidium, Cesium and Barium Binding within a Potassium Selective Channel Filter
To Be Published
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5I1Q
 | | Second bromodomain of TAF1 bound to a pyrrolopyridone compound | | Descriptor: | 3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl]-N,N-dimethylbenzamide, Transcription initiation factor TFIID subunit 1 | | Authors: | Tang, Y, Poy, F, Bellon, S.F. | | Deposit date: | 2016-01-09 | | Release date: | 2016-06-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
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5I29
 | | TAF1(2) bound to a pyrrolopyridone compound | | Descriptor: | CALCIUM ION, N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide, Transcription initiation factor TFIID subunit 1 | | Authors: | Tang, Y, Poy, F, Bellon, S.F. | | Deposit date: | 2016-02-08 | | Release date: | 2016-06-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
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4PW2
 | | Crystal structure of D-glucuronyl C5 epimerase | | Descriptor: | CITRIC ACID, D-glucuronyl C5 epimerase B | | Authors: | Ke, J, Qin, Y, Gu, X, Brunzelle, J.S, Xu, H.E, Ding, K. | | Deposit date: | 2014-03-18 | | Release date: | 2015-01-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and Functional Study of d-Glucuronyl C5-epimerase.
J.Biol.Chem., 290, 2015
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4PXQ
 | | Crystal structure of D-glucuronyl C5-epimerase in complex with heparin hexasaccharide | | Descriptor: | 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, D-glucuronyl C5 epimerase B | | Authors: | Ke, J, Qin, Y, Gu, X, Tan, J, Brunzelle, J.S, Xu, H.E, Ding, K. | | Deposit date: | 2014-03-24 | | Release date: | 2015-01-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and Functional Study of d-Glucuronyl C5-epimerase.
J.Biol.Chem., 290, 2015
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9B4E
 | | Structure of wild type human PSS1 | | Descriptor: | (2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dihexadecanoate, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, CALCIUM ION, ... | | Authors: | Long, T, Li, X. | | Deposit date: | 2024-03-20 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Molecular insights into human phosphatidylserine synthase 1 reveal its inhibition promotes LDL uptake.
Cell, 2024
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9B4G
 | | Structure of inhibitor-bound human PSS1 | | Descriptor: | (2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dihexadecanoate, (7P)-7-[(4S)-4-{4-[3,5-bis(trifluoromethyl)phenoxy]phenyl}-5-(2,2-difluoropropyl)-6-oxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl]-1,3-benzoxazol-2(3H)-one, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, ... | | Authors: | Long, T, Li, X. | | Deposit date: | 2024-03-20 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (2.87 Å) | | Cite: | Molecular insights into human phosphatidylserine synthase 1 reveal its inhibition promotes LDL uptake.
Cell, 2024
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9B4F
 | | Structure of human PSS1-P269S | | Descriptor: | CALCIUM ION, Phosphatidylserine synthase 1 | | Authors: | Long, T, Li, X. | | Deposit date: | 2024-03-20 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | Molecular insights into human phosphatidylserine synthase 1 reveal its inhibition promotes LDL uptake.
Cell, 2024
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