5ZG1
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![BU of 5zg1 by Molmil](/molmil-images/mine/5zg1) | Crystal structure of the GluA2o LBD in complex with glutamate and Compound-2 | Descriptor: | 9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide, GLUTAMIC ACID, GLYCEROL, ... | Authors: | Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G. | Deposit date: | 2018-03-07 | Release date: | 2019-01-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window. Neuropsychopharmacology, 44, 2019
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5ZG2
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![BU of 5zg2 by Molmil](/molmil-images/mine/5zg2) | Crystal structure of the GluA2o LBD in complex with ZK200775 and Compound-2 | Descriptor: | 9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide, ACETATE ION, GLYCEROL, ... | Authors: | Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G. | Deposit date: | 2018-03-07 | Release date: | 2019-01-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window. Neuropsychopharmacology, 44, 2019
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5ZG0
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![BU of 5zg0 by Molmil](/molmil-images/mine/5zg0) | Crystal structure of the GluA2o LBD in complex with glutamate and Compound-1 | Descriptor: | 9-{4-[(propan-2-yl)oxy]phenyl}-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione, ACETATE ION, GLUTAMIC ACID, ... | Authors: | Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G. | Deposit date: | 2018-03-07 | Release date: | 2019-01-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window. Neuropsychopharmacology, 44, 2019
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8I21
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![BU of 8i21 by Molmil](/molmil-images/mine/8i21) | Cryo-EM structure of 6-subunit Smc5/6 arm region | Descriptor: | E3 SUMO-protein ligase MMS21, Structural maintenance of chromosomes protein 5, Structural maintenance of chromosomes protein 6 | Authors: | Jun, Z, Qian, L, Xiang, Z, Tong, C, Zhaoning, W, Duo, J, Zhenguo, C, Lanfeng, W. | Deposit date: | 2023-01-13 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (6.02 Å) | Cite: | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms. Nat.Struct.Mol.Biol., 2024
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8VSG
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![BU of 8vsg by Molmil](/molmil-images/mine/8vsg) | SARS-CoV-2 main protease with covalent inhibitor | Descriptor: | (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-(1-phenylcyclopropane-1-carbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Bell, J.A, Bandera, A.M. | Deposit date: | 2024-01-24 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.071 Å) | Cite: | Exploiting high-energy hydration sites for the discovery of potent peptide aldehyde inhibitors of the SARS-CoV-2 main protease with cellular antiviral activity. Bioorg.Med.Chem., 103, 2024
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1BT7
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![BU of 1bt7 by Molmil](/molmil-images/mine/1bt7) | THE SOLUTION NMR STRUCTURE OF THE N-TERMINAL PROTEASE DOMAIN OF THE HEPATITIS C VIRUS (HCV) NS3-PROTEIN, FROM BK STRAIN, 20 STRUCTURES | Descriptor: | NS3 SERINE PROTEASE, ZINC ION | Authors: | Barbato, G, Cicero, D.O, Nardi, M.C, Steinkuhler, C, Cortese, R, De Francesco, R, Bazzo, R. | Deposit date: | 1998-09-01 | Release date: | 1999-06-22 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The solution structure of the N-terminal proteinase domain of the hepatitis C virus (HCV) NS3 protein provides new insights into its activation and catalytic mechanism. J.Mol.Biol., 289, 1999
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5ZUN
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![BU of 5zun by Molmil](/molmil-images/mine/5zun) | Crystal structure of human monoacylglycerol lipase in complex with compound 3l | Descriptor: | (4R)-1-(2'-chloro[1,1'-biphenyl]-3-yl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Sogabe, S, Zama, Y, Lane, W, Snell, G. | Deposit date: | 2018-05-08 | Release date: | 2018-10-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Design, Synthesis, and Evaluation of Piperazinyl Pyrrolidin-2-ones as a Novel Series of Reversible Monoacylglycerol Lipase Inhibitors J. Med. Chem., 61, 2018
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1O7I
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![BU of 1o7i by Molmil](/molmil-images/mine/1o7i) | |
1U6Q
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![BU of 1u6q by Molmil](/molmil-images/mine/1u6q) | Substituted 2-Naphthamadine inhibitors of Urokinase | Descriptor: | TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-2-CARBOXAMIDINE, Urokinase-type plasminogen activator | Authors: | Bruncko, M, McClellan, W, Wendt, M.D, Sauer, D.R, Geyer, A, Dalton, C.R, Kaminski, M.K, Nienaber, V.L, Rockway, T.R, Giranda, V.L. | Deposit date: | 2004-07-30 | Release date: | 2004-10-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Naphthamidine urokinase plasminogen activator inhibitors with improved pharmacokinetic properties. Bioorg.Med.Chem.Lett., 15, 2005
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6ETF
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![BU of 6etf by Molmil](/molmil-images/mine/6etf) | |
5IXC
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![BU of 5ixc by Molmil](/molmil-images/mine/5ixc) | Human GIVD cytosolic phospholipase A2 in complex with Methyl gamma-Linolenyl Fluorophosphonate | Descriptor: | BARIUM ION, Cytosolic phospholipase A2 delta, methyl (R)-(6Z,9Z,12Z)-octadeca-6,9,12-trien-1-ylphosphonofluoridate | Authors: | Wang, H, Klein, M.G. | Deposit date: | 2016-03-23 | Release date: | 2016-06-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure of Human GIVD Cytosolic Phospholipase A2 Reveals Insights into Substrate Recognition. J.Mol.Biol., 428, 2016
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6ETH
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![BU of 6eth by Molmil](/molmil-images/mine/6eth) | |
6ETD
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![BU of 6etd by Molmil](/molmil-images/mine/6etd) | |
6ETO
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![BU of 6eto by Molmil](/molmil-images/mine/6eto) | Atomic resolution structure of RNase A (data collection 5) | Descriptor: | ISOPROPYL ALCOHOL, Ribonuclease pancreatic | Authors: | Caterino, M, Vergara, A, Merlino, A. | Deposit date: | 2017-10-27 | Release date: | 2018-02-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | The Alkylquinolone Repertoire of Pseudomonas aeruginosa is Linked to Structural Flexibility of the FabH-like 2-Heptyl-3-hydroxy-4(1H)-quinolone (PQS) Biosynthesis Enzyme PqsBC. Chembiochem, 2018
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5IZ5
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![BU of 5iz5 by Molmil](/molmil-images/mine/5iz5) | Human GIVD cytosolic phospholipase A2 | Descriptor: | Cytosolic phospholipase A2 delta, SULFATE ION | Authors: | Wang, H, Klein, M.G. | Deposit date: | 2016-03-24 | Release date: | 2016-06-08 | Last modified: | 2016-06-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of Human GIVD Cytosolic Phospholipase A2 Reveals Insights into Substrate Recognition. J.Mol.Biol., 428, 2016
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5IZR
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![BU of 5izr by Molmil](/molmil-images/mine/5izr) | Human GIVD cytosolic phospholipase A2 in complex with Methyl gamma-Linolenyl Fluorophosphonate inhibitor and Terbium Chloride | Descriptor: | Cytosolic phospholipase A2 delta, TERBIUM(III) ION, methyl (R)-(6Z,9Z,12Z)-octadeca-6,9,12-trien-1-ylphosphonofluoridate | Authors: | Wang, H, Klein, M.G. | Deposit date: | 2016-03-25 | Release date: | 2016-06-08 | Last modified: | 2016-06-22 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Structure of Human GIVD Cytosolic Phospholipase A2 Reveals Insights into Substrate Recognition. J.Mol.Biol., 428, 2016
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6GB0
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![BU of 6gb0 by Molmil](/molmil-images/mine/6gb0) | |
6GBC
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![BU of 6gbc by Molmil](/molmil-images/mine/6gbc) | |
6GAX
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![BU of 6gax by Molmil](/molmil-images/mine/6gax) | |
6GBF
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![BU of 6gbf by Molmil](/molmil-images/mine/6gbf) | |
6GB4
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![BU of 6gb4 by Molmil](/molmil-images/mine/6gb4) | |
6GB9
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![BU of 6gb9 by Molmil](/molmil-images/mine/6gb9) | |
8GMN
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![BU of 8gmn by Molmil](/molmil-images/mine/8gmn) | Crystal structure of human C1s in complex with inhibitor | Descriptor: | Complement C1s subcomponent, SULFATE ION, [4-(1-aminophthalazin-6-yl)piperazin-1-yl](2-methylphenyl)methanone | Authors: | Dougan, D.R, Lane, W. | Deposit date: | 2023-03-26 | Release date: | 2023-05-17 | Last modified: | 2023-05-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of a Novel Series of Potent, Selective, Orally Available, and Brain-Penetrable C1s Inhibitors for Modulation of the Complement Pathway. J.Med.Chem., 66, 2023
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5G3S
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![BU of 5g3s by Molmil](/molmil-images/mine/5g3s) | The structure of the L-tryptophan oxidase VioA from Chromobacterium violaceum - Samarium derivative | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ... | Authors: | Krausze, J, Rabe, J, Moser, J. | Deposit date: | 2016-05-01 | Release date: | 2016-08-03 | Last modified: | 2019-03-06 | Method: | X-RAY DIFFRACTION (2.076 Å) | Cite: | Biosynthesis of Violacein: Structure and Function of L-Tryptophan Oxidase Vioa Chromobacterium Violaceum J.Biol.Chem., 291, 2016
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3BAT
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![BU of 3bat by Molmil](/molmil-images/mine/3bat) | |