5F1X
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![BU of 5f1x by Molmil](/molmil-images/mine/5f1x) | Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with ATP | Descriptor: | 78 kDa glucose-regulated protein, ADENOSINE-5'-TRIPHOSPHATE | Authors: | Hughes, S.J, Antoshchenko, T, Song, J.H, Pizarro, J, Park, H.W. | Deposit date: | 2015-11-30 | Release date: | 2016-06-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs. Plos One, 11, 2016
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5EY4
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![BU of 5ey4 by Molmil](/molmil-images/mine/5ey4) | Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with 2'-deoxy-ATP | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 78 kDa glucose-regulated protein | Authors: | Hughes, S.J, Antoshchenko, T, Song, J.H, Pizarro, J, Park, H.W. | Deposit date: | 2015-11-24 | Release date: | 2016-06-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs. Plos One, 11, 2016
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5F0X
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![BU of 5f0x by Molmil](/molmil-images/mine/5f0x) | Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with 2'-deoxy-ADP and inorganic phosphate | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, 78 kDa glucose-regulated protein, ... | Authors: | Hughes, S.J, Antoshchenko, T, Song, J.H, Pizarro, J, Park, H.W. | Deposit date: | 2015-11-28 | Release date: | 2016-06-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs. Plos One, 11, 2016
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5EX5
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![BU of 5ex5 by Molmil](/molmil-images/mine/5ex5) | Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with 7-deaza-ADP and inorganic phosphate | Descriptor: | 7-deazaadenosine-5'-diphosphate, 78 kDa glucose-regulated protein, MAGNESIUM ION, ... | Authors: | Hughes, S.J, Antoshchenko, T, Song, J.H, Pizarro, J, Park, H.W. | Deposit date: | 2015-11-23 | Release date: | 2016-06-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs. Plos One, 11, 2016
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6XQW
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![BU of 6xqw by Molmil](/molmil-images/mine/6xqw) | Crystal Structure of MaliM03 Fab in complex with Pfmsp1-19 | Descriptor: | MaliM03 Fab Heavy Chain, MaliM03 Fab Light Chain, Pfmsp1-19 | Authors: | Singh, S, Pancera, M. | Deposit date: | 2020-07-10 | Release date: | 2021-03-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.991 Å) | Cite: | Multimeric antibodies from antigen-specific human IgM+ memory B cells restrict Plasmodium parasites. J.Exp.Med., 218, 2021
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6WN2
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![BU of 6wn2 by Molmil](/molmil-images/mine/6wn2) | |
3B64
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![BU of 3b64 by Molmil](/molmil-images/mine/3b64) | |
4YVV
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![BU of 4yvv by Molmil](/molmil-images/mine/4yvv) | Crystal structure of AKR1C3 complexed with glibenclamide | Descriptor: | 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zhao, Y, Zheng, X, Zhang, H, Hu, X. | Deposit date: | 2015-03-20 | Release date: | 2015-11-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis Chem.Biol.Interact., 240, 2015
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5V83
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![BU of 5v83 by Molmil](/molmil-images/mine/5v83) | Structure of DCN1 bound to NAcM-HIT | Descriptor: | Lysozyme,DCN1-like protein 1 chimera, N-(1-benzylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]urea | Authors: | Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T. | Deposit date: | 2017-03-21 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Blocking an N-terminal acetylation-dependent protein interaction inhibits an E3 ligase. Nat. Chem. Biol., 13, 2017
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5VZ3
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![BU of 5vz3 by Molmil](/molmil-images/mine/5vz3) | |
4YVP
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![BU of 4yvp by Molmil](/molmil-images/mine/4yvp) | Crystal Structure of AKR1C1 complexed with glibenclamide | Descriptor: | 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zhao, Y, Zheng, X, Zhang, H, Hu, X. | Deposit date: | 2015-03-20 | Release date: | 2015-11-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis Chem.Biol.Interact., 240, 2015
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3CER
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![BU of 3cer by Molmil](/molmil-images/mine/3cer) | Crystal structure of the exopolyphosphatase-like protein Q8G5J2. Northeast Structural Genomics Consortium target BlR13 | Descriptor: | Possible exopolyphosphatase-like protein, SULFATE ION | Authors: | Kuzin, A.P, Su, M, Chen, Y, Neely, H, Seetharaman, J, Shastry, R, Fang, Y, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-02-29 | Release date: | 2008-04-01 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the exopolyphosphatase-like protein Q8G5J2. Northeast Structural Genomics Consortium target BlR13. To be Published
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6ULU
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![BU of 6ulu by Molmil](/molmil-images/mine/6ulu) | D104A/S128A S. typhimurium siroheme synthase | Descriptor: | CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, Siroheme synthase | Authors: | Pennington, J.M, Stroupe, M.E. | Deposit date: | 2019-10-08 | Release date: | 2020-03-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site. Nat Commun, 11, 2020
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8D1W
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![BU of 8d1w by Molmil](/molmil-images/mine/8d1w) | Crystal structure of Plasmodium falciparum GRP78 in complex with (2R,3R,4S,5R)-2-(6-amino-8-((2-chlorobenzyl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol | Descriptor: | 8-{[(2-chlorophenyl)methyl]amino}adenosine, Chaperone DnaK, SULFATE ION | Authors: | Mrozek, A, Chen, Y, Antoshchenko, T, Park, H.W, Smil, D, Zepeda, C.A.V. | Deposit date: | 2022-05-27 | Release date: | 2023-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Targeting Plasmodium falciparum GRP78: nucleoside analogues as agents against the malaria chaperone Frontiers in Molecular Bioscience, 2022
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8GVJ
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![BU of 8gvj by Molmil](/molmil-images/mine/8gvj) | Crystal structure of cMET kinase domain bound by D6808 | Descriptor: | (1^4Z,5^2E)-6^3-(trifluoromethyl)-5^1,5^6-dihydro-1^1H-8-aza-2(3,6)-quinolina-5(1,3)-pyridazina-1(4,1)-pyrazola-6(1,4)-benzenacyclododecaphane-5^6,7-dione, Hepatocyte growth factor receptor | Authors: | Chen, Y.H, Qu, L.Z. | Deposit date: | 2022-09-15 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment. J.Med.Chem., 65, 2022
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5V88
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![BU of 5v88 by Molmil](/molmil-images/mine/5v88) | Structure of DCN1 bound to NAcM-COV | Descriptor: | Lysozyme,DCN1-like protein 1, N-{2-[({1-[(2R)-pentan-2-yl]piperidin-4-yl}{[3-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]phenyl}propanamide | Authors: | Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T. | Deposit date: | 2017-03-21 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Blocking an N-terminal acetylation-dependent protein interaction inhibits an E3 ligase. Nat. Chem. Biol., 13, 2017
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5V89
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![BU of 5v89 by Molmil](/molmil-images/mine/5v89) | Structure of DCN4 PONY domain bound to CUL1 WHB | Descriptor: | Cullin-1, DCN1-like protein 4 | Authors: | Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T. | Deposit date: | 2017-03-21 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Blocking an N-terminal acetylation-dependent protein interaction inhibits an E3 ligase. Nat. Chem. Biol., 13, 2017
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4N6E
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![BU of 4n6e by Molmil](/molmil-images/mine/4n6e) | Crystal structure of Amycolatopsis orientalis BexX/CysO complex | Descriptor: | Putative thiosugar synthase, SULFATE ION, ThiS/MoaD family protein | Authors: | Zhang, X, Zhang, Y, Kinsland, C, Sasaki, E, Sun, H.G, Lu, M.J, Liu, T, Ou, A, Li, J, Chen, Y, Liu, H, Ealick, S.E. | Deposit date: | 2013-10-11 | Release date: | 2014-05-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Co-opting sulphur-carrier proteins from primary metabolic pathways for 2-thiosugar biosynthesis. Nature, 509, 2014
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5VZ4
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![BU of 5vz4 by Molmil](/molmil-images/mine/5vz4) | Receptor-growth factor crystal structure at 2.20 Angstrom resolution | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, GDNF family receptor alpha-like, ... | Authors: | Lakshminarasimhan, D, White, A, Suto, R.K. | Deposit date: | 2017-05-26 | Release date: | 2017-09-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Non-homeostatic body weight regulation through a brainstem-restricted receptor for GDF15. Nature, 550, 2017
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4ZFC
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![BU of 4zfc by Molmil](/molmil-images/mine/4zfc) | Crystal structure of AKR1C3 complexed with glicazide | Descriptor: | Aldo-keto reductase family 1 member C3, N-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl]-4-methylbenzenesulfonamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zhao, Y, Zhrng, X, Hu, X. | Deposit date: | 2015-04-21 | Release date: | 2015-11-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis Chem.Biol.Interact., 240, 2015
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5I3X
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![BU of 5i3x by Molmil](/molmil-images/mine/5i3x) | Crystal structure of BACE1 in complex with aminoquinoline inhibitor 6 | Descriptor: | Beta-secretase 1, GLYCEROL, N-(1-{3-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]prop-2-yn-1-yl}cyclopropyl)-4-fluorobenzamide | Authors: | Whittington, D.A, Long, A.M. | Deposit date: | 2016-02-11 | Release date: | 2016-03-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase. J.Med.Chem., 59, 2016
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5V86
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![BU of 5v86 by Molmil](/molmil-images/mine/5v86) | Structure of DCN1 bound to NAcM-OPT | Descriptor: | Lysozyme,DCN1-like protein 1, N-benzyl-N-(1-butylpiperidin-4-yl)-N'-(3,4-dichlorophenyl)urea | Authors: | Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T. | Deposit date: | 2017-03-21 | Release date: | 2017-05-24 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.374 Å) | Cite: | Blocking an N-terminal acetylation-dependent protein interaction inhibits an E3 ligase. Nat. Chem. Biol., 13, 2017
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7VNQ
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![BU of 7vnq by Molmil](/molmil-images/mine/7vnq) | Structure of human KCNQ4-ML213 complex in nanodisc | Descriptor: | (1S,2S,4R)-N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamid, Calmodulin-3, POTASSIUM ION, ... | Authors: | Xu, F, Zheng, Y. | Deposit date: | 2021-10-11 | Release date: | 2021-12-01 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.96 Å) | Cite: | Structural insights into the lipid and ligand regulation of a human neuronal KCNQ channel. Neuron, 110, 2022
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7VNR
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![BU of 7vnr by Molmil](/molmil-images/mine/7vnr) | Structure of human KCNQ4-ML213 complex in digitonin | Descriptor: | (1S,2S,4R)-N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamid, Calmodulin-3, POTASSIUM ION, ... | Authors: | Xu, F, Zheng, Y. | Deposit date: | 2021-10-11 | Release date: | 2021-12-01 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural insights into the lipid and ligand regulation of a human neuronal KCNQ channel. Neuron, 110, 2022
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6VG0
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![BU of 6vg0 by Molmil](/molmil-images/mine/6vg0) | CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC ISOCITRATE DEHYDROGENASE (IDH1) R132H MUTANT IN COMPLEX WITH NADPH and AGI-15056 | Descriptor: | Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, N~2~,N~4~-bis[(1R)-1-cyclopropylethyl]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine | Authors: | Padyana, A, Jin, L. | Deposit date: | 2020-01-07 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma. Acs Med.Chem.Lett., 11, 2020
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