5FRI
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![BU of 5fri by Molmil](/molmil-images/mine/5fri) | ALK5 in complex witha an N-(4-anilino-2-pyridyl)acetamide inhibitor. | Descriptor: | 1,2-ETHANEDIOL, N-[4-[(6-chloro-[1,3]dioxolo[4,5-b]pyridin-7-yl)amino]-2-pyridyl]cyclopropanecarboxamide, TGF-BETA RECEPTOR TYPE-1 | Authors: | Goldberg, F.W, Daunt, P, Pearson, S.E, Greenwood, R, Debreczeni, J, Grist, M. | Deposit date: | 2015-12-17 | Release date: | 2016-07-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification and optimisation of a series of N-(4-anilino-2-pyridyl)acetamide activin receptor-like kinase 1 (ALK1) inhibitors Med. Chem. Commun., 7, 2016
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6G6Y
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![BU of 6g6y by Molmil](/molmil-images/mine/6g6y) | Eg5-inhibitor complex | Descriptor: | (~{N}~{Z})-~{N}-[(5~{S})-4-ethanoyl-5-methyl-5-phenyl-1,3,4-thiadiazolidin-2-ylidene]ethanamide, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | Authors: | Talapatra, S.K, Kozielski, F, Tham, C.L. | Deposit date: | 2018-04-03 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the Eg5 - K858 complex and implications for structure-based design of thiadiazole-containing inhibitors. Eur J Med Chem, 156, 2018
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6G6Z
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![BU of 6g6z by Molmil](/molmil-images/mine/6g6z) | Eg5-inhibitor complex | Descriptor: | (~{N}~{Z})-~{N}-[(5~{S})-4-ethanoyl-5-methyl-5-phenyl-1,3,4-thiadiazolidin-2-ylidene]ethanamide, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | Authors: | Talapatra, S.K, Kozielski, F, Tham, C.L. | Deposit date: | 2018-04-04 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of the Eg5 - K858 complex and implications for structure-based design of thiadiazole-containing inhibitors. Eur J Med Chem, 156, 2018
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3SX0
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![BU of 3sx0 by Molmil](/molmil-images/mine/3sx0) | Crystal structure of Dot1l in complex with a brominated SAH analog | Descriptor: | (2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name), Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | Authors: | Yu, W, Tempel, W, Smil, D, Schapira, M, Li, Y, Vedadi, M, Nguyen, K.T, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2011-07-14 | Release date: | 2011-07-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Bromo-deaza-SAH: a potent and selective DOT1L inhibitor. Bioorg. Med. Chem., 21, 2013
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7RJ5
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![BU of 7rj5 by Molmil](/molmil-images/mine/7rj5) | The structure of BAM in complex with EspP at 7 Angstrom resolution | Descriptor: | Maltodextrin-binding protein,Autotransporter outer membrane beta-barrel domain-containing protein chimera, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ... | Authors: | Wu, R.R, Noinaj, N. | Deposit date: | 2021-07-20 | Release date: | 2021-12-22 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM. Nat Commun, 12, 2021
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5QII
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![BU of 5qii by Molmil](/molmil-images/mine/5qii) | CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-(3-(1-(4-CHLOROPHENYL)CYCLOPROPYL) -[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-8-YL)PROPAN-2-OL | Descriptor: | 2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Sheriff, S. | Deposit date: | 2018-07-03 | Release date: | 2018-12-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Discovery of Clinical Candidate BMS-823778 as an Inhibitor of Human 11 beta-Hydroxysteroid Dehydrogenase Type 1 (11 beta-HSD-1). ACS Med Chem Lett, 9, 2018
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6G78
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![BU of 6g78 by Molmil](/molmil-images/mine/6g78) | RSK4 N-terminal Kinase Domain S232E in complex with AMP-PNP | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-6 | Authors: | Prischi, F, Ali, M.M. | Deposit date: | 2018-04-04 | Release date: | 2019-04-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Repurposed floxacins targeting RSK4 prevent chemoresistance and metastasis in lung and bladder cancer. Sci Transl Med, 13, 2021
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6G77
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![BU of 6g77 by Molmil](/molmil-images/mine/6g77) | RSK4 N-terminal Kinase Domain in complex with AMP-PNP | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-6, ZINC ION | Authors: | Prischi, F, Ali, M.M. | Deposit date: | 2018-04-04 | Release date: | 2019-04-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.499 Å) | Cite: | Repurposed floxacins targeting RSK4 prevent chemoresistance and metastasis in lung and bladder cancer. Sci Transl Med, 13, 2021
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6G76
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![BU of 6g76 by Molmil](/molmil-images/mine/6g76) | |
6GJ4
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![BU of 6gj4 by Molmil](/molmil-images/mine/6gj4) | Tubulin-6j complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(quinolin-5-yl)naphtho[2,3-b]pyrrolo[1,2-d][1,4]oxazepin-4-yl acetate, CALCIUM ION, ... | Authors: | Brindisi, M, Ulivieri, C, Alfano, G, Gemma, S, Balaguer, F.d.A, Khan, T, Grillo, A, Chemi, G, Menchon, G, Prota, A.E, Olieric, N, Agell, D.L, Barasoain, I, Diaz, J.F, Nebbioso, A, Conte, M.R, Lopresti, L, Magnano, S, Amet, R, Kinsella, P, Zisterer, D.M, Ibrahim, O, O'Sullivan, J, Morbidelli, L, Spaccapelo, R, Baldari, C, Butini, S, Novellino, E, Campiani, G, Altucci, L, Steinmetz, M.O, Brogi, S. | Deposit date: | 2018-05-16 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-activity relationships, biological evaluation and structural studies of novel pyrrolonaphthoxazepines as antitumor agents. Eur J Med Chem, 162, 2018
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5ZXI
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![BU of 5zxi by Molmil](/molmil-images/mine/5zxi) | Co-crystal structure of an Inhibitor in complex with human PPARdelta LBD | Descriptor: | 6-[2-({2-[4-(furan-2-yl)phenyl]-5-methyl-1H-imidazol-1-yl}methyl)phenoxy]hexanoic acid, Peroxisome proliferator-activated receptor delta | Authors: | Rani, S.T, Laxminarasimhan, A, Senaiar, R.S, Krishnamurthy, N. | Deposit date: | 2018-05-21 | Release date: | 2019-04-03 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Selective PPAR delta Modulators Improve Mitochondrial Function: Potential Treatment for Duchenne Muscular Dystrophy (DMD). ACS Med Chem Lett, 9, 2018
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6A2N
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![BU of 6a2n by Molmil](/molmil-images/mine/6a2n) | Crystal structure of quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum DHFR-TS complexed with BT2, NADPH, and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Chitnumsub, P, Jaruwat, A, Tarnchampoo, B, Yuthavong, Y. | Deposit date: | 2018-06-12 | Release date: | 2019-04-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Hybrid Inhibitors of Malarial Dihydrofolate Reductase with Dual Binding Modes That Can Forestall Resistance. ACS Med Chem Lett, 9, 2018
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6A2L
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![BU of 6a2l by Molmil](/molmil-images/mine/6a2l) | Crystal structure of quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum DHFR-TS complexed with BT1, NADPH, and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Chitnumsub, P, Jaruwat, A, Tarnchampoo, B, Yuthavong, Y. | Deposit date: | 2018-06-12 | Release date: | 2019-04-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Hybrid Inhibitors of Malarial Dihydrofolate Reductase with Dual Binding Modes That Can Forestall Resistance. ACS Med Chem Lett, 9, 2018
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6A2P
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![BU of 6a2p by Molmil](/molmil-images/mine/6a2p) | Crystal structure of quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum DHFR-TS complexed with BT3, NADPH, and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5,5'-[propane-1,3-diylbis(oxy-4,1-phenylene)]bis(6-ethylpyrimidine-2,4-diamine), Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Chitnumsub, P, Jaruwat, A, Tarnchampoo, B, Yuthavong, Y. | Deposit date: | 2018-06-12 | Release date: | 2019-04-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Hybrid Inhibitors of Malarial Dihydrofolate Reductase with Dual Binding Modes That Can Forestall Resistance. ACS Med Chem Lett, 9, 2018
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8SHE
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![BU of 8she by Molmil](/molmil-images/mine/8she) | CCT-G beta 5 complex closed state 8 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Guanine nucleotide-binding protein subunit beta-5, ... | Authors: | Wang, S, Sass, M, Willardson, B.M, Shen, P.S. | Deposit date: | 2023-04-13 | Release date: | 2023-10-25 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Visualizing the chaperone-mediated folding trajectory of the G protein beta 5 beta-propeller. Mol.Cell, 83, 2023
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8SHD
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![BU of 8shd by Molmil](/molmil-images/mine/8shd) | CCT G beta 5 complex closed state 10 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Guanine nucleotide-binding protein subunit beta-5, ... | Authors: | Wang, S, Sass, M, Willardson, B.M, Shen, P.S. | Deposit date: | 2023-04-13 | Release date: | 2023-10-25 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Visualizing the chaperone-mediated folding trajectory of the G protein beta 5 beta-propeller. Mol.Cell, 83, 2023
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8SHP
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![BU of 8shp by Molmil](/molmil-images/mine/8shp) | CCT G beta 5 complex closed state 13 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Guanine nucleotide-binding protein subunit beta-5, ... | Authors: | Wang, S, Sass, M, Willardson, B.M, Shen, P.S. | Deposit date: | 2023-04-14 | Release date: | 2023-10-25 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Visualizing the chaperone-mediated folding trajectory of the G protein beta 5 beta-propeller. Mol.Cell, 83, 2023
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8SGL
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![BU of 8sgl by Molmil](/molmil-images/mine/8sgl) | CCT G beta 5 complex closed state 15 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Guanine nucleotide-binding protein subunit beta-5, ... | Authors: | Wang, S, Sass, M, Willardson, B.M, Shen, P.S. | Deposit date: | 2023-04-12 | Release date: | 2023-10-25 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Visualizing the chaperone-mediated folding trajectory of the G protein beta 5 beta-propeller. Mol.Cell, 83, 2023
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8SHA
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![BU of 8sha by Molmil](/molmil-images/mine/8sha) | CCT-G beta 5 complex closed state 4 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Guanine nucleotide-binding protein subunit beta-5, ... | Authors: | Wang, S, Sass, M, Willardson, B.M, Shen, P.S. | Deposit date: | 2023-04-13 | Release date: | 2023-10-25 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Visualizing the chaperone-mediated folding trajectory of the G protein beta 5 beta-propeller. Mol.Cell, 83, 2023
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8SHO
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![BU of 8sho by Molmil](/molmil-images/mine/8sho) | CCT G beta 5 complex close state 11 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Guanine nucleotide-binding protein subunit beta-5, ... | Authors: | Wang, S, Sass, M, Willardson, B.M, Shen, P.S. | Deposit date: | 2023-04-14 | Release date: | 2023-10-25 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Visualizing the chaperone-mediated folding trajectory of the G protein beta 5 beta-propeller. Mol.Cell, 83, 2023
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8SHT
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![BU of 8sht by Molmil](/molmil-images/mine/8sht) | CCT G beta 5 complex closed state 14 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Guanine nucleotide-binding protein subunit beta-5, ... | Authors: | Wang, S, Sass, M, Willardson, B.M, Shen, P.S. | Deposit date: | 2023-04-14 | Release date: | 2023-10-25 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Visualizing the chaperone-mediated folding trajectory of the G protein beta 5 beta-propeller. Mol.Cell, 83, 2023
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8SHL
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![BU of 8shl by Molmil](/molmil-images/mine/8shl) | CCT G beta 5 complex closed state 5 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Guanine nucleotide-binding protein subunit beta-5, ... | Authors: | Wang, S, Sass, M, Willardson, B.M, Shen, P.S. | Deposit date: | 2023-04-14 | Release date: | 2023-10-25 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Visualizing the chaperone-mediated folding trajectory of the G protein beta 5 beta-propeller. Mol.Cell, 83, 2023
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8SH9
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![BU of 8sh9 by Molmil](/molmil-images/mine/8sh9) | CCT G beta 5 complex best PhLP1 class | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Guanine nucleotide-binding protein subunit beta-5, ... | Authors: | Wang, S, Sass, M, Willardson, B.M, Shen, P.S. | Deposit date: | 2023-04-13 | Release date: | 2023-10-25 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Visualizing the chaperone-mediated folding trajectory of the G protein beta 5 beta-propeller. Mol.Cell, 83, 2023
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8SFF
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![BU of 8sff by Molmil](/molmil-images/mine/8sff) | CCT G beta 5 complex closed state 0 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ... | Authors: | Wang, S, Sass, M, Willardson, B.M, Shen, P.S. | Deposit date: | 2023-04-11 | Release date: | 2023-10-25 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Visualizing the chaperone-mediated folding trajectory of the G protein beta 5 beta-propeller. Mol.Cell, 83, 2023
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8SG9
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![BU of 8sg9 by Molmil](/molmil-images/mine/8sg9) | CCT G beta 5 complex closed state 3 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Guanine nucleotide-binding protein subunit beta-5, ... | Authors: | Wang, S, Sass, M, Willardson, B.M, Shen, P.S. | Deposit date: | 2023-04-12 | Release date: | 2023-10-25 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Visualizing the chaperone-mediated folding trajectory of the G protein beta 5 beta-propeller. Mol.Cell, 83, 2023
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