7ETT
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![BU of 7ett by Molmil](/molmil-images/mine/7ett) | The FK1 domain of FKBP51 in complex with peptide-inhibitor hit QFPFV | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, peptide-inhibitor hit | Authors: | Han, J.T, Zhu, Y.C, Pan, D.B, Xue, H.X, Wang, S, Liu, H.X, He, Y.X, Yao, X.J. | Deposit date: | 2021-05-14 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of pentapeptide-inhibitor hits targeting FKBP51 by combining computational modeling and X-ray crystallography. Comput Struct Biotechnol J, 19, 2021
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7ETV
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![BU of 7etv by Molmil](/molmil-images/mine/7etv) | The FK1 domain of FKBP51 in complex with peptide-inhibitor hit DFPFV | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, peptide-inhibitor hit | Authors: | Han, J.T, Zhu, Y.C, Pan, D.B, Xue, H.X, Wang, S, Liu, H.X, He, Y.X, Yao, X.J. | Deposit date: | 2021-05-14 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Discovery of pentapeptide-inhibitor hits targeting FKBP51 by combining computational modeling and X-ray crystallography. Comput Struct Biotechnol J, 19, 2021
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6KSY
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![BU of 6ksy by Molmil](/molmil-images/mine/6ksy) | |
4R5V
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![BU of 4r5v by Molmil](/molmil-images/mine/4r5v) | |
1FLJ
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![BU of 1flj by Molmil](/molmil-images/mine/1flj) | CRYSTAL STRUCTURE OF S-GLUTATHIOLATED CARBONIC ANHYDRASE III | Descriptor: | CARBONIC ANHYDRASE III, GLUTATHIONE, ZINC ION | Authors: | Mallis, R.J, Poland, B.W, Chatterjee, T.K, Fisher, R.A, Darmawan, S, Honzatko, R.B, Thomas, J.A. | Deposit date: | 2000-08-14 | Release date: | 2000-09-04 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of S-glutathiolated carbonic anhydrase III. FEBS Lett., 482, 2000
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3T9H
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![BU of 3t9h by Molmil](/molmil-images/mine/3t9h) | Kainate bound to a double cysteine mutant (A452C/S652C) of the ligand binding domain of GluA2 | Descriptor: | 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Glutamate receptor 2, ZINC ION | Authors: | Ahmed, A.H, Wang, S, Chuang, H.H, Oswald, R.E. | Deposit date: | 2011-08-02 | Release date: | 2011-08-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.015 Å) | Cite: | Mechanism of AMPA Receptor Activation by Partial Agonists: DISULFIDE TRAPPING OF CLOSED LOBE CONFORMATIONS. J.Biol.Chem., 286, 2011
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7DTL
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![BU of 7dtl by Molmil](/molmil-images/mine/7dtl) | Crystal structure of PSK, an antimicrobial peptide from Chrysomya megacephala | Descriptor: | PSK | Authors: | Xiao, C, Xiao, Z, Wang, S, Liu, W. | Deposit date: | 2021-01-05 | Release date: | 2021-07-14 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal and solution structures of a novel antimicrobial peptide from Chrysomya megacephala. Acta Crystallogr D Struct Biol, 77, 2021
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6J6V
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4GM9
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![BU of 4gm9 by Molmil](/molmil-images/mine/4gm9) | Crystal structure of human WD repeat domain 5 with compound MM-401 | Descriptor: | MM-401, WD repeat-containing protein 5 | Authors: | Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Liu, L, Dou, Y, Lei, M, Wang, S. | Deposit date: | 2012-08-15 | Release date: | 2014-02-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of human WD repeat domain 5 with compound MM-401 To be Published
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7ETS
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![BU of 7ets by Molmil](/molmil-images/mine/7ets) | Crystal structure of crp protein from Gardnerella Vaginalis | Descriptor: | Crp/Fnr family transcriptional regulator, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Dong, H.J, Wang, S, Zhang, J.M, Gu, L. | Deposit date: | 2021-05-13 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Crystal structure of crp protein from Gardnerella Vaginalis To Be Published
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6JNF
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![BU of 6jnf by Molmil](/molmil-images/mine/6jnf) | Cryo-EM structure of the translocator of the outer mitochondrial membrane | Descriptor: | (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate, Mitochondrial import receptor subunit TOM22, Mitochondrial import receptor subunit TOM40, ... | Authors: | Araiso, Y, Tsutsumi, A, Suzuki, J, Yunoki, K, Kawano, S, Kikkawa, M, Endo, T. | Deposit date: | 2019-03-14 | Release date: | 2019-10-16 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.81 Å) | Cite: | Structure of the mitochondrial import gate reveals distinct preprotein paths. Nature, 575, 2019
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3T96
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![BU of 3t96 by Molmil](/molmil-images/mine/3t96) | Iodowillardiine bound to a double cysteine mutant (A452C/S652C) of the ligand binding domain of GluA2 | Descriptor: | 2-AMINO-3-(5-IODO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, Glutamate receptor 2, ZINC ION | Authors: | Ahmed, A.H, Wang, S, Chuang, H.H, Oswald, R.E. | Deposit date: | 2011-08-02 | Release date: | 2011-08-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.872 Å) | Cite: | Mechanism of AMPA Receptor Activation by Partial Agonists: DISULFIDE TRAPPING OF CLOSED LOBE CONFORMATIONS. J.Biol.Chem., 286, 2011
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4GM3
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![BU of 4gm3 by Molmil](/molmil-images/mine/4gm3) | Crystal structure of human WD repeat domain 5 with compound MM-101 | Descriptor: | MM-101, WD repeat-containing protein 5 | Authors: | Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S. | Deposit date: | 2012-08-15 | Release date: | 2013-07-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.393 Å) | Cite: | High-affinity, small-molecule peptidomimetic inhibitors of MLL1/WDR5 protein-protein interaction. J.Am.Chem.Soc., 135, 2013
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4WVM
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![BU of 4wvm by Molmil](/molmil-images/mine/4wvm) | Stonustoxin structure | Descriptor: | Stonustoxin subunit alpha, Stonustoxin subunit beta | Authors: | Ellisdon, A.M, Panjikar, S, Whisstock, J.C, McGowan, S. | Deposit date: | 2014-11-06 | Release date: | 2015-12-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Stonefish toxin defines an ancient branch of the perforin-like superfamily. Proc.Natl.Acad.Sci.USA, 112, 2015
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2X76
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![BU of 2x76 by Molmil](/molmil-images/mine/2x76) | The crystal structure of PhaZ7 at atomic (1.2 Angstrom) resolution reveals details of the active site and suggests a substrate binding mode | Descriptor: | CHLORIDE ION, GLYCEROL, IODIDE ION, ... | Authors: | Wakadkar, S, Hermawan, S, Jendrossek, D, Papageorgiou, A.C. | Deposit date: | 2010-02-24 | Release date: | 2010-06-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The structure of PhaZ7 at atomic (1.2 A) resolution reveals details of the active site and suggests a substrate-binding mode. Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 66, 2010
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1JC9
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![BU of 1jc9 by Molmil](/molmil-images/mine/1jc9) | TACHYLECTIN 5A FROM TACHYPLEUS TRIDENTATUS (JAPANESE HORSESHOE CRAB) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, techylectin-5A | Authors: | Kairies, N, Beisel, H.-G, Fuentes-Prior, P, Tsuda, R, Muta, T, Iwanaga, S, Bode, W, Huber, R, Kawabata, S. | Deposit date: | 2001-06-08 | Release date: | 2001-11-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | The 2.0-A crystal structure of tachylectin 5A provides evidence for the common origin of the innate immunity and the blood coagulation systems. Proc.Natl.Acad.Sci.USA, 98, 2001
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2L4D
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![BU of 2l4d by Molmil](/molmil-images/mine/2l4d) | cytochrome c domain of pp3183 protein from Pseudomonas putida | Descriptor: | HEME C, SCO1/SenC family protein/cytochrome c | Authors: | Banci, L, Bertini, I, Ciofi-Baffoni, S, Kozyreva, T, Mori, M, Wang, S. | Deposit date: | 2010-10-04 | Release date: | 2011-01-26 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | Sco proteins are involved in electron transfer processes J.Biol.Inorg.Chem., 16, 2011
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4ZQT
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![BU of 4zqt by Molmil](/molmil-images/mine/4zqt) | Crystal structure of PfA-M1 with virtual ligand inhibitor | Descriptor: | (2R)-2-{[(R)-[(R)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid, GLYCEROL, M1 family aminopeptidase, ... | Authors: | Ruggeri, C, Drinkwater, N, McGowan, S. | Deposit date: | 2015-05-11 | Release date: | 2015-10-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.981 Å) | Cite: | Identification and Validation of a Potent Dual Inhibitor of the P. falciparum M1 and M17 Aminopeptidases Using Virtual Screening. Plos One, 10, 2015
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6J6W
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![BU of 6j6w by Molmil](/molmil-images/mine/6j6w) | Mutant K23N of heat shock factor 4-DBD | Descriptor: | Heat shock factor protein 4, NITRATE ION, SODIUM ION | Authors: | Xiao, Z.Y, Cui, L.W, Wang, S, Liu, W. | Deposit date: | 2019-01-16 | Release date: | 2020-01-22 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.693 Å) | Cite: | Structure of the mutant K23N of heat shock factor 4-DBD at 1.69 Angstroms resolution. To Be Published
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4GM8
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![BU of 4gm8 by Molmil](/molmil-images/mine/4gm8) | Crystal structure of human WD repeat domain 5 with compound MM-102 | Descriptor: | MM-102, WD repeat-containing protein 5 | Authors: | Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S. | Deposit date: | 2012-08-15 | Release date: | 2013-07-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | High-affinity, small-molecule peptidomimetic inhibitors of MLL1/WDR5 protein-protein interaction. J.Am.Chem.Soc., 135, 2013
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4YTV
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![BU of 4ytv by Molmil](/molmil-images/mine/4ytv) | Crystal structure of Mdm35 | Descriptor: | COBALT (II) ION, GLYCEROL, Mitochondrial distribution and morphology protein 35 | Authors: | Watanabe, Y, Tamura, Y, Kawano, S, Endo, T. | Deposit date: | 2015-03-18 | Release date: | 2015-08-12 | Last modified: | 2020-02-05 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural and mechanistic insights into phospholipid transfer by Ups1-Mdm35 in mitochondria. Nat Commun, 6, 2015
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4YTW
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![BU of 4ytw by Molmil](/molmil-images/mine/4ytw) | Crystal structure of Ups1-Mdm35 complex | Descriptor: | Mitochondrial distribution and morphology protein 35, Protein UPS1, mitochondrial | Authors: | Watanabe, Y, Tamura, Y, Kawano, S, Endo, T. | Deposit date: | 2015-03-18 | Release date: | 2015-08-12 | Last modified: | 2020-02-05 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural and mechanistic insights into phospholipid transfer by Ups1-Mdm35 in mitochondria. Nat Commun, 6, 2015
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4YTX
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![BU of 4ytx by Molmil](/molmil-images/mine/4ytx) | Crystal structure of Ups1-Mdm35 complex with PA | Descriptor: | 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, Mitochondrial distribution and morphology protein 35, Protein UPS1, ... | Authors: | Watanabe, Y, Tamura, Y, Kawano, S, Endo, T. | Deposit date: | 2015-03-18 | Release date: | 2015-08-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural and mechanistic insights into phospholipid transfer by Ups1-Mdm35 in mitochondria. Nat Commun, 6, 2015
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2JMN
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![BU of 2jmn by Molmil](/molmil-images/mine/2jmn) | NMR structure of human insulin mutant His-B10-Asp, Pro-B28-Lys, Lys-B29-Pro, 20 structures | Descriptor: | Insulin A chain, Insulin B chain | Authors: | Hua, Q.X, Hu, S.Q, Frank, B.H, Jia, W.H, Chu, Y.C, Wang, S.H, Burke, G.T, Katsoyannis, P.G, Weiss, M.A. | Deposit date: | 2006-11-21 | Release date: | 2006-12-05 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | Mapping the functional surface of insulin by design: structure and function of a novel A-chain analogue. J.Mol.Biol., 264, 1996
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2VIN
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![BU of 2vin by Molmil](/molmil-images/mine/2vin) | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator | Descriptor: | (2R)-1-(2,6-dimethylphenoxy)propan-2-amine, ACETATE ION, SULFATE ION, ... | Authors: | Frederickson, M, Callaghan, O, Chessari, G, Congreve, M, Cowan, S.R, Matthews, J.E, McMenamin, R, Smith, D, Vinkovic, M, Wallis, N.G. | Deposit date: | 2007-12-05 | Release date: | 2008-01-22 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator J.Med.Chem., 51, 2008
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