5TAP
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![BU of 5tap by Molmil](/molmil-images/mine/5tap) | Structure of rabbit RyR1 (Caffeine/ATP/EGTA dataset, all particles) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, Peptidyl-prolyl cis-trans isomerase FKBP1B, ... | Authors: | Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J. | Deposit date: | 2016-09-10 | Release date: | 2016-10-12 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structural Basis for Gating and Activation of RyR1. Cell, 167, 2016
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5UR6
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![BU of 5ur6 by Molmil](/molmil-images/mine/5ur6) | PYR1 bound to the rationally designed agonist cyanabactin | Descriptor: | Abscisic acid receptor PYR1, N-(4-cyano-3-cyclopropylphenyl)-1-(4-methylphenyl)methanesulfonamide, SULFATE ION | Authors: | Peterson, F.C, Vaidya, A, Jensen, D.R, Volkman, B.F, Cutler, S.R. | Deposit date: | 2017-02-09 | Release date: | 2017-11-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.631 Å) | Cite: | A Rationally Designed Agonist Defines Subfamily IIIA Abscisic Acid Receptors As Critical Targets for Manipulating Transpiration. ACS Chem. Biol., 12, 2017
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5UHY
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![BU of 5uhy by Molmil](/molmil-images/mine/5uhy) | A Human Antibody Against Zika Virus Crosslinks the E Protein to Prevent Infection | Descriptor: | ZV67 Fab chain 1, ZV67 Fab chain 2, envelope protein | Authors: | Hasan, S.S, Miller, A, Sapparapu, G, Fernandez, E, Klose, T, Long, F, Fokine, A, Porta, J.C, Jiang, W, Diamond, M.S, Crowe Jr, J.E, Kuhn, R.J, Rossmann, M.G. | Deposit date: | 2017-01-12 | Release date: | 2017-03-29 | Last modified: | 2019-11-27 | Method: | ELECTRON MICROSCOPY (6.2 Å) | Cite: | A human antibody against Zika virus crosslinks the E protein to prevent infection. Nat Commun, 8, 2017
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5V5Z
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![BU of 5v5z by Molmil](/molmil-images/mine/5v5z) | Structure of CYP51 from the pathogen Candida albicans | Descriptor: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Keniya, M.V, Sabherwal, M, Wilson, R.K, Sagatova, A.A, Tyndall, J.D.A, Monk, B.C. | Deposit date: | 2017-03-15 | Release date: | 2017-03-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structures of Full-Length Lanosterol 14 alpha-Demethylases of Prominent Fungal Pathogens Candida albicans and Candida glabrata Provide Tools for Antifungal Discovery. Antimicrob.Agents Chemother., 62, 2018
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5TS1
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![BU of 5ts1 by Molmil](/molmil-images/mine/5ts1) | Crystal structure of MHC-I H2-KD complexed with peptides of Mycobacterial tuberculosis (YYQSGLSIV) | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Jiang, J, Natarajan, K, Margulies, D. | Deposit date: | 2016-10-27 | Release date: | 2018-05-09 | Last modified: | 2020-02-05 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | MHC-restricted Ag85B-specific CD8+T cells are enhanced by recombinant BCG prime and DNA boost immunization in mice. Eur.J.Immunol., 2019
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5OX6
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![BU of 5ox6 by Molmil](/molmil-images/mine/5ox6) | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with Vadadustat | Descriptor: | Egl nine homolog 1, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Chowdhury, R, Zhang, D, Schofield, C.J. | Deposit date: | 2017-09-06 | Release date: | 2017-10-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials. Chem Sci, 8, 2017
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5OU1
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![BU of 5ou1 by Molmil](/molmil-images/mine/5ou1) | M. thermoresistible IMPDH in complex with IMP and Compound 1 (7759844) | Descriptor: | (2~{S})-~{N}-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | Authors: | Ascher, D.B, Pacitto, A, Blundell, T.L. | Deposit date: | 2017-08-23 | Release date: | 2018-03-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Fragment-Based Approach to Targeting Inosine-5'-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis. J. Med. Chem., 61, 2018
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5OTF
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![BU of 5otf by Molmil](/molmil-images/mine/5otf) | MRCK beta in complex with BDP-00009066 | Descriptor: | (6~{S})-8-(3-pyrimidin-4-yl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,8-diazaspiro[5.5]undecane, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Schuettelkopf, A.W. | Deposit date: | 2017-08-21 | Release date: | 2018-02-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Potent and Selective MRCK Inhibitors with Therapeutic Effect on Skin Cancer. Cancer Res., 78, 2018
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5OU3
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![BU of 5ou3 by Molmil](/molmil-images/mine/5ou3) | M. thermoresistible IMPDH in complex with IMP and Compound 31 (AT080) | Descriptor: | (2~{S})-~{N}-[5-(4-bromophenyl)-1~{H}-imidazol-2-yl]-2-[4-(1-methylimidazol-4-yl)phenoxy]propanamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | Authors: | Ascher, D.B, Pacitto, A, Blundell, T.L. | Deposit date: | 2017-08-23 | Release date: | 2018-03-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Fragment-Based Approach to Targeting Inosine-5'-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis. J. Med. Chem., 61, 2018
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5OU2
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![BU of 5ou2 by Molmil](/molmil-images/mine/5ou2) | M. thermoresistible IMPDH in complex with IMP and Compound 2 (NMR744) | Descriptor: | 4-(4-bromophenyl)-1H-imidazole, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | Authors: | Ascher, D.B, Pacitto, A, Blundell, T.L. | Deposit date: | 2017-08-23 | Release date: | 2018-03-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Fragment-Based Approach to Targeting Inosine-5'-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis. J. Med. Chem., 61, 2018
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5OVN
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![BU of 5ovn by Molmil](/molmil-images/mine/5ovn) | Crystal Structure of FIV Reverse Transcriptase | Descriptor: | POL protein | Authors: | Galilee, M, Alian, A. | Deposit date: | 2017-08-29 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.942 Å) | Cite: | The structure of FIV reverse transcriptase and its implications for non-nucleoside inhibitor resistance. PLoS Pathog., 14, 2018
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5OW2
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![BU of 5ow2 by Molmil](/molmil-images/mine/5ow2) | Japanese encephalitis virus capsid protein | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, capsid protein | Authors: | Poonsiri, T, Wright, G.S.A, Antonyuk, S.V. | Deposit date: | 2017-08-30 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal Structure of the Japanese Encephalitis Virus Capsid Protein. Viruses, 11, 2019
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5OX5
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![BU of 5ox5 by Molmil](/molmil-images/mine/5ox5) | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with CCT6, a GSK1278863-related compound | Descriptor: | (6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl)glycine, BICARBONATE ION, Egl nine homolog 1, ... | Authors: | Chowdhury, R, Thinnes, C.C, Schofield, C.J. | Deposit date: | 2017-09-06 | Release date: | 2017-10-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.251 Å) | Cite: | Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials. Chem Sci, 8, 2017
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5OXG
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![BU of 5oxg by Molmil](/molmil-images/mine/5oxg) | Crystal structure of the ACVR1 (ALK2) kinase in complex with LDN-212854 | Descriptor: | 1,2-ETHANEDIOL, 5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, Activin receptor type-1, ... | Authors: | Williams, E.P, Sorrell, F.J, Kopec, J, Nowak, R.P, Kupinska, K, von Delft, F, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2017-09-06 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structural basis for the potent and selective binding of LDN-212854 to the BMP receptor kinase ALK2. Bone, 109, 2018
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5OY4
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![BU of 5oy4 by Molmil](/molmil-images/mine/5oy4) | GSK3beta complex with N-(6-(3,4-dihydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)acetamide | Descriptor: | Glycogen synthase kinase-3 beta, Proto-oncogene FRAT1, SULFATE ION, ... | Authors: | Bax, B.D, Convery, M.A. | Deposit date: | 2017-09-07 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | From PIM1 to PI3K delta via GSK3 beta : Target Hopping through the Kinome. ACS Med Chem Lett, 8, 2017
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5OOF
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![BU of 5oof by Molmil](/molmil-images/mine/5oof) | Cryo-EM structure of F-actin in complex with ADP-BeFx | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Merino, F, Pospich, S, Funk, J, Kuellmer, F, Arndt, H.-D, Bieling, P, Raunser, S. | Deposit date: | 2017-08-07 | Release date: | 2018-06-13 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural transitions of F-actin upon ATP hydrolysis at near-atomic resolution revealed by cryo-EM. Nat. Struct. Mol. Biol., 25, 2018
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5OQ4
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![BU of 5oq4 by Molmil](/molmil-images/mine/5oq4) | PQR309 - a Potent, Brain-Penetrant, Orally Bioavailable, pan-Class I PI3K/mTOR Inhibitor as Clinical Candidate in Oncology | Descriptor: | 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Williams, R.L, Zhang, X. | Deposit date: | 2017-08-10 | Release date: | 2017-09-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | 5-(4,6-Dimorpholino-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine (PQR309), a Potent, Brain-Penetrant, Orally Bioavailable, Pan-Class I PI3K/mTOR Inhibitor as Clinical Candidate in Oncology. J. Med. Chem., 60, 2017
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5OT0
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![BU of 5ot0 by Molmil](/molmil-images/mine/5ot0) | The thermostable L-asparaginase from Thermococcus kodakarensis | Descriptor: | 1,2-ETHANEDIOL, L-asparaginase, PHOSPHATE ION, ... | Authors: | Guo, J, Coker, A.R, Wood, S.P, Cooper, J.B, Rashid, N, Chohan, S.M, Akhtar, M. | Deposit date: | 2017-08-18 | Release date: | 2017-11-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structure and function of the thermostable L-asparaginase from Thermococcus kodakarensis. Acta Crystallogr D Struct Biol, 73, 2017
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5OV9
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![BU of 5ov9 by Molmil](/molmil-images/mine/5ov9) | Crystal structure of Acetylcholinesterase in complex with Crystal Violet | Descriptor: | 1,2-ETHANEDIOL, 2-(2-ETHOXYETHOXY)ETHANOL, 2-(2-METHOXYETHOXY)ETHANOL, ... | Authors: | Allgardsson, A, Andersson, C.D, Akfur, C, Worek, F, Linusson, A, Ekstrom, F. | Deposit date: | 2017-08-28 | Release date: | 2017-09-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | An Unusual Dimeric Inhibitor of Acetylcholinesterase: Cooperative Binding of Crystal Violet. Molecules, 22, 2017
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5OY0
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![BU of 5oy0 by Molmil](/molmil-images/mine/5oy0) | Structure of synechocystis photosystem I trimer at 2.5A resolution | Descriptor: | (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (3'R)-3'-hydroxy-beta,beta-caroten-4-one, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | Authors: | Nelson, N, Malavath, T, Caspy, I. | Deposit date: | 2017-09-07 | Release date: | 2018-02-21 | Last modified: | 2019-11-20 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Structure and function of wild-type and subunit-depleted photosystem I in Synechocystis. Biochim. Biophys. Acta, 1859, 2018
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5OQS
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![BU of 5oqs by Molmil](/molmil-images/mine/5oqs) | Solution structure of antifungal protein NFAP | Descriptor: | NFAP | Authors: | Hajdu, D, Czajlik, A, Marx, F, Galgoczy, L, Batta, G. | Deposit date: | 2017-08-14 | Release date: | 2018-07-25 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Solution structure and novel insights into phylogeny and mode of action of the Neosartorya (Aspergillus) fischeri antifungal protein (NFAP). Int.J.Biol.Macromol., 129, 2019
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5PGU
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![BU of 5pgu by Molmil](/molmil-images/mine/5pgu) | |
5PZM
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![BU of 5pzm by Molmil](/molmil-images/mine/5pzm) | |
5PZO
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![BU of 5pzo by Molmil](/molmil-images/mine/5pzo) | CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE C316N IN COMPLEX WITH 2-(4-FLUOROPHENYL)-N-METHYL-5-[3-({2-METHYL-1-OXO-1-[(1,3,4-THIADIAZOL-2-YL)AMINO]PROPAN-2-YL}CARBAMOYL)PHENYL]-1-BENZOFURAN-3-CARBOXAMIDE | Descriptor: | (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, 2-(4-fluorophenyl)-N-methyl-5-[3-({2-methyl-1-oxo-1-[(1,3,4-thiadiazol-2-yl)amino]propan-2-yl}carbamoyl)phenyl]-1-benzofuran-3-carboxamide, GLYCEROL, ... | Authors: | Sheriff, S. | Deposit date: | 2017-02-27 | Release date: | 2017-05-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies. J. Med. Chem., 60, 2017
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5PZN
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![BU of 5pzn by Molmil](/molmil-images/mine/5pzn) | |