8ERX
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![BU of 8erx by Molmil](/molmil-images/mine/8erx) | Structure of chimeric HLA-A*11:01-A*02:01 bound to HIV-1 RT peptide | Descriptor: | Beta-2-microglobulin, HIV-1 RT, HLA-A*02:01 | Authors: | Florio, T.J, Ani, O, Young, M.C, Mallik, L, Sgourakis, N.G. | Deposit date: | 2022-10-13 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Decoupling peptide binding from T cell receptor recognition with engineered chimeric MHC-I molecules. Front Immunol, 14, 2023
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8ERS
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![BU of 8ers by Molmil](/molmil-images/mine/8ers) | |
8ERR
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![BU of 8err by Molmil](/molmil-images/mine/8err) | |
8ERQ
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![BU of 8erq by Molmil](/molmil-images/mine/8erq) | |
8ERN
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![BU of 8ern by Molmil](/molmil-images/mine/8ern) | Cyclin-free CDK2 in complex with Cpd21 | Descriptor: | Cyclin-dependent kinase 2, GLYCEROL, N,3-dimethyl-4-({7-[(2S)-2-methylpyrrolidine-1-carbonyl]quinazolin-2-yl}amino)benzene-1-sulfonamide | Authors: | Murray, J.M, Oh, A. | Deposit date: | 2022-10-12 | Release date: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Cyclin-free CDK2 in complex with Cpd21 To Be Published
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8ERM
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![BU of 8erm by Molmil](/molmil-images/mine/8erm) | Crystal structure of FliC D2/D3 domains from Pseudomonas aeruginosa PAO1 | Descriptor: | B-type flagellin, GLYCEROL, SULFATE ION | Authors: | Nedeljkovic, M, Bonsor, D.A, Postel, S, Sundberg, E.J. | Deposit date: | 2022-10-12 | Release date: | 2023-05-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.475 Å) | Cite: | An unbroken network of interactions connecting flagellin domains is required for motility in viscous environments. Plos Pathog., 19, 2023
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8ERJ
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![BU of 8erj by Molmil](/molmil-images/mine/8erj) | Crystal structure of Fub7 in complex with E-2-aminocrotonate | Descriptor: | (2E)-2-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}but-2-enoic acid, (2S)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]but-3-enoic acid, Sulfhydrylase FUB7 | Authors: | Hai, Y. | Deposit date: | 2022-10-12 | Release date: | 2023-10-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Molecular and Structural Basis for C gamma-C Bond Formation by PLP-Dependent Enzyme Fub7. Angew.Chem.Int.Ed.Engl., 63, 2024
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8ERI
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8ERB
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![BU of 8erb by Molmil](/molmil-images/mine/8erb) | Crystal structure of Fub7 in complex with vinylglycine ketimine | Descriptor: | (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid, Sulfhydrylase FUB7 | Authors: | Hai, Y. | Deposit date: | 2022-10-11 | Release date: | 2023-10-18 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Molecular and Structural Basis for C gamma-C Bond Formation by PLP-Dependent Enzyme Fub7. Angew.Chem.Int.Ed.Engl., 63, 2024
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8ERA
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![BU of 8era by Molmil](/molmil-images/mine/8era) | RMC-5552 in complex with mTORC1 and FKBP12 | Descriptor: | (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1-[6-{[(3M)-4-amino-3-(2-amino-1,3-benzoxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]-3-hydroxypropan-1-one, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | Authors: | Tomlinson, A.C.A, Yano, J.K. | Deposit date: | 2022-10-11 | Release date: | 2022-12-28 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.86 Å) | Cite: | Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors. J.Med.Chem., 66, 2023
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8ER7
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![BU of 8er7 by Molmil](/molmil-images/mine/8er7) | FKBP12-FRB in Complex with Compound 12 | Descriptor: | (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-5,10,21-trimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | Authors: | Tomlinson, A.C.A, Yano, J.K. | Deposit date: | 2022-10-11 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.07 Å) | Cite: | Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors. J.Med.Chem., 66, 2023
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8ER6
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![BU of 8er6 by Molmil](/molmil-images/mine/8er6) | FKBP12-FRB in Complex with Compound 11 | Descriptor: | (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1,2-ETHANEDIOL, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | Authors: | Tomlinson, A.C.A, Yano, J.K. | Deposit date: | 2022-10-11 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors. J.Med.Chem., 66, 2023
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8ER5
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![BU of 8er5 by Molmil](/molmil-images/mine/8er5) | Crystal Structure of NlpC/P60 domain from Clostridium innocuum NlpC/P60 domain-containing protein CI_01448. | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, NlpC/P60 domain-containing protein, ... | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Wiersum, G, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2022-10-11 | Release date: | 2023-10-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Crystal Structure of NlpC/P60 domain from Clostridium innocuum NlpC/P60 domain-containing protein CI_01448. To Be Published
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8ER4
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![BU of 8er4 by Molmil](/molmil-images/mine/8er4) | Co-crystal structure of Chaetomium glucosidase with compound 23 | Descriptor: | (2R,3R,4R,5S)-1-(2-{6-[2-(4-azido-2-nitroanilino)ethyl]pyrazin-2-yl}ethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2022-10-11 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
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8ER1
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![BU of 8er1 by Molmil](/molmil-images/mine/8er1) | X-ray crystal structure of Tet(X6) | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent monooxygenase | Authors: | Kumar, H, Tolia, N.H. | Deposit date: | 2022-10-11 | Release date: | 2023-04-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of anhydrotetracycline-bound Tet(X6) reveals the mechanism for inhibition of type 1 tetracycline destructases. Commun Biol, 6, 2023
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8ER0
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![BU of 8er0 by Molmil](/molmil-images/mine/8er0) | X-ray crystal structure of Tet(X6) bound to anhydrotetracycline | Descriptor: | 5A,6-ANHYDROTETRACYCLINE, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent monooxygenase | Authors: | Kumar, H, Tolia, N.H. | Deposit date: | 2022-10-11 | Release date: | 2023-04-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of anhydrotetracycline-bound Tet(X6) reveals the mechanism for inhibition of type 1 tetracycline destructases. Commun Biol, 6, 2023
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8EQZ
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![BU of 8eqz by Molmil](/molmil-images/mine/8eqz) | Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog T0-C6 | Descriptor: | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-hexylbenzenesulfonamide, Nuclear receptor subfamily 1 group I member 2 | Authors: | Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Lin, W, Li, Y, Chen, T. | Deposit date: | 2022-10-11 | Release date: | 2023-03-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structure-guided approach to modulate small molecule binding to a promiscuous ligand-activated protein. Proc.Natl.Acad.Sci.USA, 120, 2023
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8EQX
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![BU of 8eqx by Molmil](/molmil-images/mine/8eqx) | Co-crystal structure of Chaetomium glucosidase with compound 21 | Descriptor: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[6-({[(5M)-3-methyl-5-(1H-pyrrol-2-yl)phenyl]amino}methyl)pyridin-2-yl]methyl}piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chaetomium alpha glucosidase, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2022-10-10 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
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8EQW
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![BU of 8eqw by Molmil](/molmil-images/mine/8eqw) | Crystal structure of Fub7 | Descriptor: | Sulfhydrylase FUB7 | Authors: | Hai, Y. | Deposit date: | 2022-10-10 | Release date: | 2023-10-11 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Molecular and Structural Basis for C gamma-C Bond Formation by PLP-Dependent Enzyme Fub7. Angew.Chem.Int.Ed.Engl., 63, 2024
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8EQP
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![BU of 8eqp by Molmil](/molmil-images/mine/8eqp) | Crystal structure of E.coli DsbA mutant E24A/E37A/K58A | Descriptor: | CITRATE ANION, GLYCEROL, Thiol:disulfide interchange protein DsbA | Authors: | Wang, G, Heras, B. | Deposit date: | 2022-10-09 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA. Antioxidants, 12, 2023
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8EQO
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![BU of 8eqo by Molmil](/molmil-images/mine/8eqo) | Crystal structure of E.coli DsbA mutant K58A | Descriptor: | COPPER (II) ION, GLYCEROL, Thiol:disulfide interchange protein DsbA | Authors: | Wang, G, Heras, B. | Deposit date: | 2022-10-08 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA. Antioxidants, 12, 2023
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8EQM
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![BU of 8eqm by Molmil](/molmil-images/mine/8eqm) | Structure of a dimeric photosystem II complex acclimated to far-red light | Descriptor: | (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Gisriel, C.J, Shen, G, Flesher, D.A, Kurashov, V, Golbeck, J.H, Brudvig, G.W, Amin, M, Bryant, D.A. | Deposit date: | 2022-10-08 | Release date: | 2022-12-28 | Last modified: | 2023-01-25 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structure of a dimeric photosystem II complex from a cyanobacterium acclimated to far-red light. J.Biol.Chem., 299, 2022
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8EQL
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![BU of 8eql by Molmil](/molmil-images/mine/8eql) | |
8EQK
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![BU of 8eqk by Molmil](/molmil-images/mine/8eqk) | Human PU.1 ETS-Domain (165-270) Bound to d(AATAACCGGAAGTGGG) | Descriptor: | DNA (5'-D(*AP*AP*TP*AP*AP*CP*CP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*GP*TP*TP*AP*T)-3'), SODIUM ION, ... | Authors: | Terrell, J.R, Poon, G.M.K. | Deposit date: | 2022-10-07 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | DNA selection by the master transcription factor PU.1. Cell Rep, 42, 2023
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8EQG
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![BU of 8eqg by Molmil](/molmil-images/mine/8eqg) | |