7MGL
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![BU of 7mgl by Molmil](/molmil-images/mine/7mgl) | Structure of human TRPML1 with ML-SI3 | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, Mucolipin-1, N-{(1S,2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide | Authors: | Schmiege, P, Li, X. | Deposit date: | 2021-04-12 | Release date: | 2021-06-16 | Last modified: | 2021-11-17 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Atomic insights into ML-SI3 mediated human TRPML1 inhibition. Structure, 29, 2021
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7N7P
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![BU of 7n7p by Molmil](/molmil-images/mine/7n7p) | Cryo-EM structure of human TMEM120A | Descriptor: | COENZYME A, Ion channel TACAN | Authors: | Xue, J, Han, Y, Jiang, Y. | Deposit date: | 2021-06-10 | Release date: | 2021-09-01 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | TMEM120A is a coenzyme A-binding membrane protein with structural similarities to ELOVL fatty acid elongase. Elife, 10, 2021
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7N6W
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![BU of 7n6w by Molmil](/molmil-images/mine/7n6w) | Structure of uncleaved HIV-1 JR-FL Env glycoprotein trimer in state U2 bound to small Molecule HIV-1 Entry Inhibitor BMS-378806 | Descriptor: | 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, S, Wang, K, Mao, Y. | Deposit date: | 2021-06-09 | Release date: | 2021-09-22 | Last modified: | 2021-12-08 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Asymmetric Structures and Conformational Plasticity of the Uncleaved Full-Length Human Immunodeficiency Virus Envelope Glycoprotein Trimer. J.Virol., 95, 2021
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7N6U
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![BU of 7n6u by Molmil](/molmil-images/mine/7n6u) | Structure of uncleaved HIV-1 JR-FL Env glycoprotein trimer in state U1 bound to small Molecule HIV-1 Entry Inhibitor BMS-378806 | Descriptor: | 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, S, Wang, K, Mao, Y. | Deposit date: | 2021-06-09 | Release date: | 2021-09-22 | Last modified: | 2021-12-08 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Asymmetric Structures and Conformational Plasticity of the Uncleaved Full-Length Human Immunodeficiency Virus Envelope Glycoprotein Trimer. J.Virol., 95, 2021
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7NB4
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![BU of 7nb4 by Molmil](/molmil-images/mine/7nb4) | Structure of Mcl-1 complex with compound 1 | Descriptor: | (2~{R})-2-[[5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Induced myeloid leukemia cell differentiation protein Mcl-1, ... | Authors: | Dokurno, P, Surgenor, A.E, Kotschy, A. | Deposit date: | 2021-01-25 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Effect of Core Replacement on S64315, a Selective MCL-1 Inhibitor, and Its Analogues. Acs Omega, 6, 2021
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7NB7
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![BU of 7nb7 by Molmil](/molmil-images/mine/7nb7) | Structure of Mcl-1 complex with compound 6b | Descriptor: | (2~{R})-2-[[7-but-2-ynyl-5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Dokurno, P, Surgenor, A.E, Kotschy, A. | Deposit date: | 2021-01-25 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | The Effect of Core Replacement on S64315, a Selective MCL-1 Inhibitor, and Its Analogues. Acs Omega, 6, 2021
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7NIE
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![BU of 7nie by Molmil](/molmil-images/mine/7nie) | |
7NP9
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![BU of 7np9 by Molmil](/molmil-images/mine/7np9) | |
7N2W
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![BU of 7n2w by Molmil](/molmil-images/mine/7n2w) | The crystal structure of an FMN-dependent NADH-azoreductase, AzoA in complex with Red 40 | Descriptor: | 6-hydroxy-5-[(E)-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid, FLAVIN MONONUCLEOTIDE, FMN dependent NADH:quinone oxidoreductase | Authors: | Arcinas, A.J, Fedorov, E, Kelly, L, Almo, S.C, Ghosh, A. | Deposit date: | 2021-05-30 | Release date: | 2022-06-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Uncovering a novel mechanism of enzyme activation in multimeric azoreductases To Be Published
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1DPR
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![BU of 1dpr by Molmil](/molmil-images/mine/1dpr) | STRUCTURES OF THE APO-AND METAL ION ACTIVATED FORMS OF THE DIPHTHERIA TOX REPRESSOR FROM CORYNEBACTERIUM DIPHTHERIAE | Descriptor: | DIPHTHERIA TOX REPRESSOR | Authors: | Schiering, N, Tao, X, Murphy, J, Petsko, G.A, Ringe, D. | Deposit date: | 1995-02-06 | Release date: | 1995-09-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of the apo- and the metal ion-activated forms of the diphtheria tox repressor from Corynebacterium diphtheriae. Proc.Natl.Acad.Sci.USA, 92, 1995
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7O3Q
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![BU of 7o3q by Molmil](/molmil-images/mine/7o3q) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-041 | Descriptor: | 14-3-3 protein sigma, 4-methyl-~{N}-(1-methylpyrazol-3-yl)benzenesulfonamide, CHLORIDE ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-04-02 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
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7O2G
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![BU of 7o2g by Molmil](/molmil-images/mine/7o2g) | |
7OGG
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![BU of 7ogg by Molmil](/molmil-images/mine/7ogg) | Nse5/6 complex | Descriptor: | DNA repair protein KRE29,DNA repair protein KRE29,DNA repair protein KRE29, Non-structural maintenance of chromosome element 5,Non-structural maintenance of chromosome element 5,Non-structural maintenance of chromosome element 5 | Authors: | Basquin, J, Taschner, M, Gruber, S. | Deposit date: | 2021-05-06 | Release date: | 2021-07-07 | Last modified: | 2021-08-11 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | Nse5/6 inhibits the Smc5/6 ATPase and modulates DNA substrate binding. Embo J., 40, 2021
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3MNA
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![BU of 3mna by Molmil](/molmil-images/mine/3mna) | The crystal structure of human carbonic anhydrase Ii in complex with a 1,3,5-triazine-substituted benzenesulfonamide inhibitor | Descriptor: | Carbonic anhydrase 2, GLYCEROL, ZINC ION, ... | Authors: | Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R. | Deposit date: | 2010-04-21 | Release date: | 2011-04-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Sulfonamides incorporating 1,3,5-triazine moieties selectively and potently inhibit carbonic anhydrase transmembrane isoforms IX, XII and XIV over cytosolic isoforms I and II: Solution and X-ray crystallographic studies. Bioorg.Med.Chem., 19, 2011
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7O0W
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![BU of 7o0w by Molmil](/molmil-images/mine/7o0w) | Cryo-EM structure of the RC-dLH complex (model_1b) from Gemmatimonas phototrophica at 2.47 A | Descriptor: | (19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate, (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate, ... | Authors: | Qian, P, Koblizek, M. | Deposit date: | 2021-03-27 | Release date: | 2022-03-02 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (2.47 Å) | Cite: | 2.4- angstrom structure of the double-ring Gemmatimonas phototrophica photosystem. Sci Adv, 8, 2022
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7O0U
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![BU of 7o0u by Molmil](/molmil-images/mine/7o0u) | Cryo-EM structure (model_1a) of the RC-dLH complex from Gemmatimonas phototrophica at 2.4 A | Descriptor: | (19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate, (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate, ... | Authors: | Qian, P, Koblizek, M. | Deposit date: | 2021-03-27 | Release date: | 2022-03-02 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (2.35 Å) | Cite: | 2.4- angstrom structure of the double-ring Gemmatimonas phototrophica photosystem. Sci Adv, 8, 2022
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7O0X
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![BU of 7o0x by Molmil](/molmil-images/mine/7o0x) | Cryo-EM structure (model_2b) of the RC-dLH complex from Gemmatimonas phototrophica at 2.44 A | Descriptor: | (19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate, (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate, ... | Authors: | Qian, P, Koblizek, M. | Deposit date: | 2021-03-28 | Release date: | 2022-03-02 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (2.44 Å) | Cite: | 2.4- angstrom structure of the double-ring Gemmatimonas phototrophica photosystem. Sci Adv, 8, 2022
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7O0V
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![BU of 7o0v by Molmil](/molmil-images/mine/7o0v) | Cryo-EM structure (model_2a) of the RC-dLH complex from Gemmatimonas phototrophica at 2.5 A | Descriptor: | (19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate, (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate, ... | Authors: | Qian, P, Koblizek, M. | Deposit date: | 2021-03-27 | Release date: | 2022-03-02 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | 2.4- angstrom structure of the double-ring Gemmatimonas phototrophica photosystem. Sci Adv, 8, 2022
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7NWV
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![BU of 7nwv by Molmil](/molmil-images/mine/7nwv) | Structure of recombinant human beta-glucocerebrosidase in complex with BODIPY Tagged Cyclophellitol activity based probe | Descriptor: | (1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol, 1,2-ETHANEDIOL, 1-deoxy-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rowland, R.J, Davies, G.J. | Deposit date: | 2021-03-17 | Release date: | 2022-03-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Fluorescence polarisation activity-based protein profiling for the identification of deoxynojirimycin-type inhibitors selective for lysosomal retaining alpha- and beta-glucosidases. Chem Sci, 14, 2023
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7OAE
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![BU of 7oae by Molmil](/molmil-images/mine/7oae) | Cryo-EM structure of the plectasin fibril (double strands) | Descriptor: | Fungal defensin plectasin | Authors: | Effantin, G. | Deposit date: | 2021-04-19 | Release date: | 2022-04-27 | Last modified: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (2 Å) | Cite: | pH- and concentration-dependent supramolecular assembly of a fungal defensin plectasin variant into helical non-amyloid fibrils. Nat Commun, 13, 2022
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7OAG
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![BU of 7oag by Molmil](/molmil-images/mine/7oag) | Cryo-EM structure of the plectasin fibril (single strand) | Descriptor: | Fungal defensin plectasin | Authors: | Effantin, G. | Deposit date: | 2021-04-19 | Release date: | 2022-04-27 | Last modified: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | pH- and concentration-dependent supramolecular assembly of a fungal defensin plectasin variant into helical non-amyloid fibrils. Nat Commun, 13, 2022
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7O76
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![BU of 7o76 by Molmil](/molmil-images/mine/7o76) | |
7OCJ
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![BU of 7ocj by Molmil](/molmil-images/mine/7ocj) | Crystal structure of E.coli LexA in complex with nanobody NbSOS2(Nb14509) | Descriptor: | 1,2-ETHANEDIOL, LexA repressor, NbSOS2 (14509) | Authors: | Maso, L, Vascon, F, Chinellato, M, Pardon, E, Steyaert, J, Angelini, A, Tondi, D, Cendron, L. | Deposit date: | 2021-04-27 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway. Structure, 30, 2022
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6JZO
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![BU of 6jzo by Molmil](/molmil-images/mine/6jzo) | Structure of the mouse TRPC4 ion channel | Descriptor: | 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ... | Authors: | Duan, J, Li, Z, Li, J, Zhang, J. | Deposit date: | 2019-05-03 | Release date: | 2020-10-21 | Last modified: | 2021-05-05 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Structure of the mouse TRPC4 ion channel To Be Published
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2L4V
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![BU of 2l4v by Molmil](/molmil-images/mine/2l4v) | |