7PG3
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![BU of 7pg3 by Molmil](/molmil-images/mine/7pg3) | Low resolution Cryo-EM structure of the full-length insulin receptor bound to 3 insulin, conf 2 | Descriptor: | Insulin, Isoform Short of Insulin receptor | Authors: | Nielsen, J.A, Slaaby, R, Boesen, T, Hummelshoj, T, Brandt, J, Schluckebier, G, Nissen, P. | Deposit date: | 2021-08-12 | Release date: | 2022-02-02 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (7.3 Å) | Cite: | Structural Investigations of Full-Length Insulin Receptor Dynamics and Signalling. J.Mol.Biol., 434, 2022
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5LFG
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![BU of 5lfg by Molmil](/molmil-images/mine/5lfg) | X-ray structure of a new fully ligated carbomonoxy form of Trematomus newnesi hemoglobin (Hb1TnCO). | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha-1, Hemoglobin subunit beta-1/2, ... | Authors: | Vitagliano, L, Mazzarella, L, Merlino, A, Vergara, A. | Deposit date: | 2016-07-01 | Release date: | 2017-08-09 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Fine Sampling of the RT Quaternary-Structure Transition of a Tetrameric Hemoglobin. Chemistry, 23, 2017
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5X2Q
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![BU of 5x2q by Molmil](/molmil-images/mine/5x2q) | Crystal structure of the medaka fish taste receptor T1r2a-T1r3 ligand binding domains in complex with glycine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Nuemket, N, Yasui, N, Atsumi, N, Yamashita, A. | Deposit date: | 2017-02-02 | Release date: | 2017-05-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for perception of diverse chemical substances by T1r taste receptors Nat Commun, 8, 2017
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7EIH
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![BU of 7eih by Molmil](/molmil-images/mine/7eih) | Ancestral L-Lys oxidase (ligand free form) | Descriptor: | FAD dependent enzyme, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | Authors: | Sugiura, S, Nakano, S, Niwa, M, Hasebe, F, Ito, S. | Deposit date: | 2021-03-31 | Release date: | 2021-08-11 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Catalytic mechanism of ancestral L-lysine oxidase assigned by sequence data mining. J.Biol.Chem., 297, 2021
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8TQP
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![BU of 8tqp by Molmil](/molmil-images/mine/8tqp) | HIV-CA Disulfide linked Hexamer bound to Quinazolin-4-one Scaffold inhibitor | Descriptor: | 2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-{(1R)-2-(3,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}acetamide, Gag polyprotein | Authors: | Goldstone, D.C, Barnett, M.J, Taka, J.R.H. | Deposit date: | 2023-08-08 | Release date: | 2023-12-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery, Crystallographic Studies, and Mechanistic Investigations of Novel Phenylalanine Derivatives Bearing a Quinazolin-4-one Scaffold as Potent HIV Capsid Modulators. J.Med.Chem., 66, 2023
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4XR8
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![BU of 4xr8 by Molmil](/molmil-images/mine/4xr8) | Crystal structure of the HPV16 E6/E6AP/p53 ternary complex at 2.25 A resolution | Descriptor: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, DI(HYDROXYETHYL)ETHER, ... | Authors: | Martinez-Zapien, D, Ruiz, F.X, Mitschler, A, Podjarny, A, Trave, G, Zanier, K. | Deposit date: | 2015-01-20 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure of the E6/E6AP/p53 complex required for HPV-mediated degradation of p53. Nature, 529, 2016
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6ONI
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![BU of 6oni by Molmil](/molmil-images/mine/6oni) | |
8P9X
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![BU of 8p9x by Molmil](/molmil-images/mine/8p9x) | Vitamin D receptor complex with Xe4Me agonist ligand | Descriptor: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-1,7~{a}-dimethyl-1-(5-methyl-5-oxidanyl-hexa-1,3-diynyl)-2,3,3~{a},5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 2, ... | Authors: | Rochel, N. | Deposit date: | 2023-06-06 | Release date: | 2024-06-26 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A vitamin D-based strategy overcomes chemoresistance in prostate cancer. Br.J.Pharmacol., 2024
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7PI0
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![BU of 7pi0 by Molmil](/molmil-images/mine/7pi0) | Unstacked compact Dunaliella PSII | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, ... | Authors: | Caspy, I, Fadeeva, M, Mazor, Y, Nelson, N. | Deposit date: | 2021-08-19 | Release date: | 2022-08-17 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (2.43 Å) | Cite: | Structure of Dunaliella Photosystem II reveals conformational flexibility of stacked and unstacked supercomplexes. Elife, 12, 2023
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3D5F
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![BU of 3d5f by Molmil](/molmil-images/mine/3d5f) | Crystal Structure of PPAR-delta complex | Descriptor: | Peroxisome proliferator-activated receptor delta, {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid | Authors: | Amano, Y. | Deposit date: | 2008-05-16 | Release date: | 2008-06-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | PPAR-Delta Activation Contributes to Neuroprotectio Against Thapsigargin-Induced SH-SY5Y Cell Death to be published
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6PDZ
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![BU of 6pdz by Molmil](/molmil-images/mine/6pdz) | |
8Q34
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![BU of 8q34 by Molmil](/molmil-images/mine/8q34) | Crystal structure of the first bromodomain of human BRD4 in complex with the ligand ZZ001229a | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(1~{H}-imidazo[4,5-b]pyridin-2-ylmethyl)-3-(3-methyl-1,2-diazirin-3-yl)propanamide | Authors: | MacLean, E.M, Gao, Q, Williams, E, Balcomb, B.H, von Delft, F, Bajusz, D, Keeley, A, Abranyi-Balogh, P, Koekemoer, L, Keseru, G.M. | Deposit date: | 2023-08-03 | Release date: | 2024-02-07 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Mapping protein binding sites by photoreactive fragment pharmacophores. Commun Chem, 7, 2024
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7ZUD
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![BU of 7zud by Molmil](/molmil-images/mine/7zud) | Crystal structure of HIV-1 capsid IP6-CPSF6 complex | Descriptor: | Capsid protein p24, Cleavage and polyadenylation specificity factor subunit 6, INOSITOL HEXAKISPHOSPHATE | Authors: | Nicastro, G, Taylor, I.A. | Deposit date: | 2022-05-12 | Release date: | 2022-07-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | CP-MAS and Solution NMR Studies of Allosteric Communication in CA-assemblies of HIV-1. J.Mol.Biol., 434, 2022
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4M4N
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![BU of 4m4n by Molmil](/molmil-images/mine/4m4n) | |
3Q1M
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![BU of 3q1m by Molmil](/molmil-images/mine/3q1m) | Crystal Structure of BmrR Dimer bound to DNA and the ligand 4-amino-quinaldine | Descriptor: | 2-methylquinolin-4-amine, 23 bp promoter DNA, Multidrug-efflux transporter 1 regulator | Authors: | Bachas, S, Eginton, C, Gunio, G, Wade, H. | Deposit date: | 2010-12-17 | Release date: | 2011-06-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural contributions to multidrug recognition in the multidrug resistance (MDR) gene regulator, BmrR. Proc.Natl.Acad.Sci.USA, 108, 2011
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5GTH
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![BU of 5gth by Molmil](/molmil-images/mine/5gth) | Native XFEL structure of photosystem II (dark dataset) | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Suga, M, Shen, J.R. | Deposit date: | 2016-08-20 | Release date: | 2017-03-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Light-induced structural changes and the site of O=O bond formation in PSII caught by XFEL. Nature, 543, 2017
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2W1Q
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2W1S
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![BU of 2w1s by Molmil](/molmil-images/mine/2w1s) | |
7VD5
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![BU of 7vd5 by Molmil](/molmil-images/mine/7vd5) | Structure of C2S2M2-type PSII-FCPII supercomplex from diatom | Descriptor: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | Authors: | Nagao, R, Kato, K, Akita, F, Miyazaki, N, Shen, J.R. | Deposit date: | 2021-09-06 | Release date: | 2022-03-02 | Last modified: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Structural basis for different types of hetero-tetrameric light-harvesting complexes in a diatom PSII-FCPII supercomplex Nat Commun, 13, 2022
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4WUX
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![BU of 4wux by Molmil](/molmil-images/mine/4wux) | Crystal Structure of Surfactant Protein-A DED Mutant (E171D/P175E/K203D) Complexed with Mannose | Descriptor: | CALCIUM ION, Pulmonary surfactant-associated protein A, alpha-D-mannopyranose | Authors: | Rynkiewicz, M.J, Wu, H, Cafarella, T.R, Nikolaidis, N.M, Head, J.F, Seaton, B.A, McCormack, F.X. | Deposit date: | 2014-11-03 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Differential ligand binding specificities of the pulmonary collectins are determined by the conformational freedom of a surface loop To be published
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5MYQ
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![BU of 5myq by Molmil](/molmil-images/mine/5myq) | |
6BLN
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![BU of 6bln by Molmil](/molmil-images/mine/6bln) | BTK complex with compound 13 | Descriptor: | GLYCEROL, N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, SULFATE ION, ... | Authors: | Kiefer, J.R, Eigenbrot, C, Yu, C.L. | Deposit date: | 2017-11-10 | Release date: | 2018-11-07 | Last modified: | 2019-03-27 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison. J. Comput. Aided Mol. Des., 33, 2019
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6BQD
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![BU of 6bqd by Molmil](/molmil-images/mine/6bqd) | TAF1-BD2 bromodomain in complex with (E)-3-(6-(but-2-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,N-dimethylbenzamide | Descriptor: | 3-{6-[(2E)-but-2-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: | Murray, J.M, Tang, Y. | Deposit date: | 2017-11-27 | Release date: | 2019-02-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.136 Å) | Cite: | Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison. J. Comput. Aided Mol. Des., 33, 2019
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4Y8Y
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![BU of 4y8y by Molmil](/molmil-images/mine/4y8y) | |
7OPD
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![BU of 7opd by Molmil](/molmil-images/mine/7opd) | Pol II-CSB-CRL4CSA-UVSSA-SPT6-PAF (Structure 5) | Descriptor: | Cullin-4A, DNA damage-binding protein 1, DNA excision repair protein ERCC-6, ... | Authors: | Kokic, G, Cramer, P. | Deposit date: | 2021-05-31 | Release date: | 2021-10-06 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis of human transcription-DNA repair coupling. Nature, 598, 2021
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