7EMN
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![BU of 7emn by Molmil](/molmil-images/mine/7emn) | The atomic structure of SHP2 E76A mutant | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Luo, F, Xie, J.J, Zhu, J.D, Liu, C. | Deposit date: | 2021-04-14 | Release date: | 2021-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A novel partially open state of SHP2 points to a "multiple gear" regulation mechanism. J.Biol.Chem., 296, 2021
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7P4C
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![BU of 7p4c by Molmil](/molmil-images/mine/7p4c) | Crystal Structure of Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31, in complex with noncovalent Cyclophellitol Sulfamidate probe KK131 | Descriptor: | (3aR,4S,5S,6R,7R,7aS)-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydro-3H-benzo[d][1,2,3]oxathiazole-4,5,6-triol, 1,2-ETHANEDIOL, OXALATE ION, ... | Authors: | Wu, L, Davies, G.J. | Deposit date: | 2021-07-11 | Release date: | 2022-07-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | 1,6- epi-Cyclophellitol Cyclosulfamidate Is a Bona Fide Lysosomal alpha-Glucosidase Stabilizer for the Treatment of Pompe Disease. J.Am.Chem.Soc., 144, 2022
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7P4D
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![BU of 7p4d by Molmil](/molmil-images/mine/7p4d) | Crystal Structure of Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31, in complex with covalent Cyclophellitol Sulfamidate probe KK130 | Descriptor: | 1,2-ETHANEDIOL, OXALATE ION, Oligosaccharide 4-alpha-D-glucosyltransferase, ... | Authors: | Wu, L, Davies, G.J. | Deposit date: | 2021-07-11 | Release date: | 2022-07-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 1,6- epi-Cyclophellitol Cyclosulfamidate Is a Bona Fide Lysosomal alpha-Glucosidase Stabilizer for the Treatment of Pompe Disease. J.Am.Chem.Soc., 144, 2022
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7PBC
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![BU of 7pbc by Molmil](/molmil-images/mine/7pbc) | Crystal structure of engineered TCR (796) complexed to HLA-A*02:01 presenting MAGE-A10 9-mer peptide | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, GLYCEROL, ... | Authors: | Simister, P.C, Border, E.C, Vieira, J.F, Pumphrey, N.J. | Deposit date: | 2021-08-02 | Release date: | 2022-08-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural insights into engineering a T-cell receptor targeting MAGE-A10 with higher affinity and specificity for cancer immunotherapy. J Immunother Cancer, 10, 2022
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7JIE
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![BU of 7jie by Molmil](/molmil-images/mine/7jie) | |
7PMY
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![BU of 7pmy by Molmil](/molmil-images/mine/7pmy) | HsPepT2 bound to Ala-Phe in the inward facing partially occluded conformation | Descriptor: | ALA-PHE, Solute carrier family 15 member 2 | Authors: | Killer, M, Wald, J, Pieprzyk, J, Marlovits, T.C, Loew, C. | Deposit date: | 2021-09-04 | Release date: | 2021-10-20 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural snapshots of human PepT1 and PepT2 reveal mechanistic insights into substrate and drug transport across epithelial membranes. Sci Adv, 7, 2021
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8OPQ
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![BU of 8opq by Molmil](/molmil-images/mine/8opq) | Structure of Human Solute Carrier 26 family member A6 (SLC26A6) anion transporter in an inward-facing state | Descriptor: | CHLORIDE ION, Solute carrier family 26 member 6 | Authors: | Tippett, D.N, Breen, C, Butler, S.J, Sawicka, M, Dutzler, R. | Deposit date: | 2023-04-07 | Release date: | 2023-05-17 | Last modified: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Structural and functional properties of the transporter SLC26A6 reveal mechanism of coupled anion exchange. Elife, 12, 2023
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7G00
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![BU of 7g00 by Molmil](/molmil-images/mine/7g00) | Crystal Structure of human FABP1 in complex with 2-[[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]cyclopentene-1-carboxylic acid | Descriptor: | 2-{[(3P)-3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid, Fatty acid-binding protein, liver, ... | Authors: | Ehler, A, Benz, J, Obst, U, Neidhart, W, Rudolph, M.G. | Deposit date: | 2023-04-27 | Release date: | 2023-06-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of a human FABP1 complex To be published
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8ONQ
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8P41
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![BU of 8p41 by Molmil](/molmil-images/mine/8p41) | Crystal structure of glucocerebrosidase in complex with allosteric activator | Descriptor: | 2-[2-[[3,5-bis(trifluoromethyl)phenyl]methylsulfanyl]ethanoylamino]-5-chloranyl-benzoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Schulze, M.-S. | Deposit date: | 2023-05-18 | Release date: | 2024-03-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Identification of ss-Glucocerebrosidase Activators for Glucosylceramide hydrolysis. Chemmedchem, 19, 2024
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8P3E
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![BU of 8p3e by Molmil](/molmil-images/mine/8p3e) | Crystal structure of glucocerebrosidase in complex with allosteric activator | Descriptor: | 2-[[3-[(4-chlorophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Schulze, M.-S. | Deposit date: | 2023-05-17 | Release date: | 2024-03-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Identification of ss-Glucocerebrosidase Activators for Glucosylceramide hydrolysis. Chemmedchem, 19, 2024
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7EZT
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![BU of 7ezt by Molmil](/molmil-images/mine/7ezt) | The structure and functional mechanism of nucleotide regulated acetylhexosaminidase Am2136 from Akkermansia muciniphila | Descriptor: | Beta-N-acetylhexosaminidase, MAGNESIUM ION | Authors: | Bao, R, Li, C.C, Tang, X.Y, Zhu, Y.B, Song, Y.J, Zhao, N.L, Huang, Q, Mou, X.Y, Luo, G.H, Liu, T.G. | Deposit date: | 2021-06-02 | Release date: | 2022-11-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Nucleotide binding as an allosteric regulatory mechanism for Akkermansia muciniphila beta- N -acetylhexosaminidase Am2136. Gut Microbes, 14, 2022
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8PQN
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![BU of 8pqn by Molmil](/molmil-images/mine/8pqn) | NQO1 bound to RBS-10 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1, ~{N}-[4-[(3-methylphenyl)carbonylamino]phenyl]-5-nitro-furan-2-carboxamide | Authors: | Pous, J, Jose-Duran, F, Mayor-Ruiz, C, Riera, A. | Deposit date: | 2023-07-11 | Release date: | 2024-01-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Discovery and Mechanistic Elucidation of NQO1-Bioactivatable Small Molecules That Overcome Resistance to Degraders. Angew.Chem.Int.Ed.Engl., 63, 2024
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8Q5H
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![BU of 8q5h by Molmil](/molmil-images/mine/8q5h) | Human KMN network (outer kinetochore) | Descriptor: | Kinetochore protein Spc24, Kinetochore protein Spc25, Kinetochore scaffold 1, ... | Authors: | Raisch, T, Polley, S, Vetter, I, Musacchio, A, Raunser, S. | Deposit date: | 2023-08-09 | Release date: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Insights into human outer kinetochore assembly and force transmission from a structure-function analysis of the KMN network To Be Published
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8SG5
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![BU of 8sg5 by Molmil](/molmil-images/mine/8sg5) | Cytochrome P450 (CYP) 3A5 crystallized with clotrimazole | Descriptor: | 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cytochrome P450 3A5, DODECYL NONA ETHYLENE GLYCOL ETHER, ... | Authors: | Hsu, M.H, Johnson, E.F. | Deposit date: | 2023-04-11 | Release date: | 2023-10-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Differential Effects of Clotrimazole on X-Ray Crystal Structures of Human Cytochromes P450 3A5 and 3A4. Drug Metab.Dispos., 51, 2023
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8S03
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![BU of 8s03 by Molmil](/molmil-images/mine/8s03) | NMR solution structure of the CysD2 domain of MUC2 | Descriptor: | CALCIUM ION, Mucin-2 | Authors: | Recktenwald, C, Karlsson, B.G, Garcia-Bonnete, M.-J, Katona, G, Jensen, M, Lymer, R, Baeckstroem, M, Johansson, M.E.V, Hansson, G.C, Trillo-Muyo, S. | Deposit date: | 2024-02-13 | Release date: | 2024-04-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The structure of the second CysD domain of MUC2 and role in mucin organization by transglutaminase-based cross-linking. Cell Rep, 43, 2024
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8RM6
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![BU of 8rm6 by Molmil](/molmil-images/mine/8rm6) | Crystal Structure of Human Androgen Receptor DNA Binding Domain Bound to its Response Element: C3(1)ARE | Descriptor: | C3(1)ARE_Chain C, C3(1)ARE_Chain D, Isoform 2 of Androgen receptor, ... | Authors: | Lee, X.Y, Helsen, C, Van Eynde, W, Voet, A, Claessens, F. | Deposit date: | 2024-01-05 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural mechanism underlying variations in DNA binding by the androgen receptor. J.Steroid Biochem.Mol.Biol., 241, 2024
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8RM7
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![BU of 8rm7 by Molmil](/molmil-images/mine/8rm7) | Crystal Structure of Human Androgen Receptor DNA Binding Domain Bound to its Response Element: MMTV-177 GRE/ARE | Descriptor: | Isoform 2 of Androgen receptor, MMTV-177 GRE/ARE Chain C, MMTV-177 GRE/ARE, ... | Authors: | Lee, X.Y, Helsen, C, Van Eynde, W, Voet, A, Claessens, F. | Deposit date: | 2024-01-05 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural mechanism underlying variations in DNA binding by the androgen receptor. J.Steroid Biochem.Mol.Biol., 241, 2024
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8T3V
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![BU of 8t3v by Molmil](/molmil-images/mine/8t3v) | Cryo-EM structure of the DHA bound FFA1-Gq complex | Descriptor: | CHOLESTEROL, DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID, Free fatty acid receptor 1, ... | Authors: | Zhang, X, Tikhonova, I, Milligan, G, Zhang, C. | Deposit date: | 2023-06-07 | Release date: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | Structural basis for the ligand recognition and signaling of free fatty acid receptors. Sci Adv, 10, 2024
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8SPD
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![BU of 8spd by Molmil](/molmil-images/mine/8spd) | Cytochrome P450 (CYP) 3A4 crystallized with clotrimazole | Descriptor: | 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Hsu, M.H, Johnson, E.F. | Deposit date: | 2023-05-02 | Release date: | 2023-10-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Differential Effects of Clotrimazole on X-Ray Crystal Structures of Human Cytochromes P450 3A5 and 3A4. Drug Metab.Dispos., 51, 2023
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8T9R
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8SO2
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![BU of 8so2 by Molmil](/molmil-images/mine/8so2) | Human CYP3A4 bound to a substrate | Descriptor: | CAFFEINE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sevrioukova, I.F. | Deposit date: | 2023-04-28 | Release date: | 2023-08-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Interaction of CYP3A4 with caffeine: First insights into multiple substrate binding. J.Biol.Chem., 299, 2023
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8T1X
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8SO1
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![BU of 8so1 by Molmil](/molmil-images/mine/8so1) | Human CYP3A4 bound to three caffeine molecules | Descriptor: | CAFFEINE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sevrioukova, I.F. | Deposit date: | 2023-04-28 | Release date: | 2023-08-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Interaction of CYP3A4 with caffeine: First insights into multiple substrate binding. J.Biol.Chem., 299, 2023
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8T3Q
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![BU of 8t3q by Molmil](/molmil-images/mine/8t3q) | Cryo-EM structure of the DHA bound FFA4-Gq complex | Descriptor: | DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID, Free fatty acid receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Zhang, X, Tikhonova, I, Milligan, G, Zhang, C. | Deposit date: | 2023-06-07 | Release date: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | Structural basis for the ligand recognition and signaling of free fatty acid receptors. Sci Adv, 10, 2024
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