8CK6
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![BU of 8ck6 by Molmil](/molmil-images/mine/8ck6) | Crystal structure of maize CKO/CKX8 in complex with urea-derived inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]-4-methoxy-benzamide | Descriptor: | 1,2-ETHANEDIOL, 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-methoxy-benzamide, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Kopecny, D, Briozzo, P, Morera, S. | Deposit date: | 2023-02-14 | Release date: | 2024-02-28 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice. J.Exp.Bot., 2024
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6N8X
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![BU of 6n8x by Molmil](/molmil-images/mine/6n8x) | Hsp90-alpha bound to PU-11-trans | Descriptor: | 9-[(2E)-but-2-en-1-yl]-8-[(3,4,5-trimethoxyphenyl)methyl]-9H-purin-6-amine, Heat shock protein HSP 90-alpha | Authors: | Huck, J.D, Que, N.L.S, Gewirth, D.T. | Deposit date: | 2018-11-30 | Release date: | 2019-07-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.49484479 Å) | Cite: | Structures of Hsp90 alpha and Hsp90 beta bound to a purine-scaffold inhibitor reveal an exploitable residue for drug selectivity. Proteins, 87, 2019
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6UV6
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![BU of 6uv6 by Molmil](/molmil-images/mine/6uv6) | AtmM with bound rebeccamycin analogue | Descriptor: | 12-beta-D-glucopyranosyl-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione, D-glucose O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Alvarado, S.K, Wang, Z, Miller, M.D, Thorson, J.S, Phillips Jr, G.N. | Deposit date: | 2019-11-01 | Release date: | 2020-11-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Structure of AtmM Bound with Glycosylated Indolocarbazole To Be Published
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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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8TEQ
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![BU of 8teq by Molmil](/molmil-images/mine/8teq) | Tropomyosin-receptor kinase fused gene protein (TRK-fused gene protein; TFG) Low Complexity Domain (residues 237-327) G269V mutant, amyloid fiber | Descriptor: | TRK-fused gene protein Low Complexity Domain G269V mutant | Authors: | Rosenberg, G.M, Sawaya, M.R, Boyer, D.R, Ge, P, Abskharon, R, Eisenberg, D.S. | Deposit date: | 2023-07-06 | Release date: | 2023-12-20 | Last modified: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | Fibril structures of TFG protein mutants validate the identification of TFG as a disease-related amyloid protein by the IMPAcT method. Pnas Nexus, 2, 2023
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7SVM
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![BU of 7svm by Molmil](/molmil-images/mine/7svm) | DPP8 IN COMPLEX WITH LIGAND ICeD-2 | Descriptor: | (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 8, trimethylamine oxide | Authors: | Lammens, A, Hollenstein, K, Klein, D.J. | Deposit date: | 2021-11-19 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
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7SVN
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![BU of 7svn by Molmil](/molmil-images/mine/7svn) | DPP9 IN COMPLEX WITH LIGAND ICeD-1 | Descriptor: | (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 9 | Authors: | Lammens, A, Hollenstein, K, Klein, D.J. | Deposit date: | 2021-11-19 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
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6UZV
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![BU of 6uzv by Molmil](/molmil-images/mine/6uzv) | The structure of a red shifted photosystem I complex | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | Authors: | Toporik, H, Williams, D, Chiu, P.L, Mazor, Y. | Deposit date: | 2019-11-15 | Release date: | 2020-09-16 | Last modified: | 2020-11-04 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | The structure of a red-shifted photosystem I reveals a red site in the core antenna. Nat Commun, 11, 2020
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7SVO
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![BU of 7svo by Molmil](/molmil-images/mine/7svo) | DPP8 IN COMPLEX WITH LIGAND ICeD-1 | Descriptor: | (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 8, trimethylamine oxide | Authors: | Lammens, A, Hollenstein, K, Klein, D.J. | Deposit date: | 2021-11-19 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
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6N20
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![BU of 6n20 by Molmil](/molmil-images/mine/6n20) | Structure of L509V CAO1 - growth condition 2 | Descriptor: | CHLORIDE ION, Carotenoid oxygenase, FE (II) ION | Authors: | Khadka, N, Shi, W, Kiser, P.D. | Deposit date: | 2018-11-12 | Release date: | 2019-06-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Evidence for distinct rate-limiting steps in the cleavage of alkenes by carotenoid cleavage dioxygenases. J.Biol.Chem., 294, 2019
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7QDJ
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![BU of 7qdj by Molmil](/molmil-images/mine/7qdj) | Racemic structure of PK-10 and PK-11 | Descriptor: | GLYCEROL, MALONATE ION, PK-10+PK-11, ... | Authors: | Kumar, P, Paterson, N.G, Woolfson, D.N. | Deposit date: | 2021-11-27 | Release date: | 2022-04-27 | Last modified: | 2022-07-27 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | De novo design of discrete, stable 3 10 -helix peptide assemblies. Nature, 607, 2022
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8F65
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![BU of 8f65 by Molmil](/molmil-images/mine/8f65) | |
8CKQ
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![BU of 8ckq by Molmil](/molmil-images/mine/8ckq) | Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (CKO/CKX4) in complex with inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]benzamide | Descriptor: | 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]benzamide, Cytokinin dehydrogenase 4, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Kopecny, D, Briozzo, P, Morera, S. | Deposit date: | 2023-02-16 | Release date: | 2024-02-28 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice. J.Exp.Bot., 2024
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8CKT
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![BU of 8ckt by Molmil](/molmil-images/mine/8ckt) | Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (CKO/CKX4) in complex with inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]-4-(trifluoromethoxy)benzamide | Descriptor: | 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-(trifluoromethyloxy)benzamide, Cytokinin dehydrogenase 4, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Kopecny, D, Briozzo, P, Morera, S. | Deposit date: | 2023-02-16 | Release date: | 2024-02-28 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice. J.Exp.Bot., 2024
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6N3B
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![BU of 6n3b by Molmil](/molmil-images/mine/6n3b) | SegA-asym, conformation of TDP-43 low complexity domain segment A asym | Descriptor: | TAR DNA-binding protein 43 | Authors: | Cao, Q, Boyer, D.R, Sawaya, M.R, Eisenberg, D.S. | Deposit date: | 2018-11-14 | Release date: | 2019-06-26 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM structures of four polymorphic TDP-43 amyloid cores. Nat.Struct.Mol.Biol., 26, 2019
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6N3N
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![BU of 6n3n by Molmil](/molmil-images/mine/6n3n) | Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents | Descriptor: | N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-2,5-dichloro-3-(hydroxymethyl)benzene-1-sulfonamide, eIF-2-alpha kinase GCN2,eIF-2-alpha kinase GCN2 | Authors: | Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R. | Deposit date: | 2018-11-15 | Release date: | 2019-10-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode. Acs Med.Chem.Lett., 10, 2019
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8TOV
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![BU of 8tov by Molmil](/molmil-images/mine/8tov) | 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-(morpholine-4-sulfonyl)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}ethyl]acetamide, Matrix protein p17 | Authors: | Goldstone, D.C, Barnett, M.J, Taka, J.R.H. | Deposit date: | 2023-08-04 | Release date: | 2023-12-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.7 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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8ENW
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![BU of 8enw by Molmil](/molmil-images/mine/8enw) | |
8CLW
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![BU of 8clw by Molmil](/molmil-images/mine/8clw) | Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (CKO/CKX4) in complex with inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]-4-methoxy-benzamide | Descriptor: | 1,2-ETHANEDIOL, 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-methoxy-benzamide, Cytokinin dehydrogenase 4, ... | Authors: | Kopecny, D, Briozzo, P, Morera, S. | Deposit date: | 2023-02-17 | Release date: | 2024-02-28 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice. J.Exp.Bot., 2024
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8CM2
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![BU of 8cm2 by Molmil](/molmil-images/mine/8cm2) | Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (CKO/CKX4) in complex with inhibitor 2-[[3,5-dichloro-2-(2-hydroxyethyl)phenyl]carbamoylamino]-4-(trifluoromethoxy)benzamide | Descriptor: | 2-[[3,5-bis(chloranyl)-2-(2-hydroxyethyl)phenyl]carbamoylamino]-4-(trifluoromethyloxy)benzamide, Cytokinin dehydrogenase 4, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Kopecny, D, Briozzo, P, Morera, S. | Deposit date: | 2023-02-17 | Release date: | 2024-02-28 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice. J.Exp.Bot., 2024
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4WMW
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![BU of 4wmw by Molmil](/molmil-images/mine/4wmw) | The structure of MBP-MCL1 bound to ligand 5 at 1.9A | Descriptor: | 1,2-ETHANEDIOL, 2-hydroxy-5-(methylsulfanyl)benzoic acid, FORMIC ACID, ... | Authors: | Clifton, M.C, Dranow, D.M. | Deposit date: | 2014-10-09 | Release date: | 2015-05-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1. Plos One, 10, 2015
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6YQ1
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![BU of 6yq1 by Molmil](/molmil-images/mine/6yq1) | FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-(3-{[2-(2-oxo-1,2,3,4-tetrahydro-quinolin-6-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-pyridin-2-yl)-methanesulfonamide | Descriptor: | Focal adhesion kinase 1, SODIUM ION, SULFATE ION, ... | Authors: | Musil, D, Heinrich, T, Amaral, M. | Deposit date: | 2020-04-16 | Release date: | 2021-02-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.784 Å) | Cite: | Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2. Cell Chem Biol, 28, 2021
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6MQG
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![BU of 6mqg by Molmil](/molmil-images/mine/6mqg) | |
7QDK
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![BU of 7qdk by Molmil](/molmil-images/mine/7qdk) | A trimeric de novo coiled-coil assembly: CC-TypeN-LaLd | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CC-TypeN-LaLd, GLYCEROL, ... | Authors: | Kumar, P, Paterson, N.G, Woolfson, D.N. | Deposit date: | 2021-11-27 | Release date: | 2022-04-27 | Last modified: | 2022-07-27 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | De novo design of discrete, stable 3 10 -helix peptide assemblies. Nature, 607, 2022
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6YR9
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![BU of 6yr9 by Molmil](/molmil-images/mine/6yr9) | |