3USS
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1BA1
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1BA0
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![BU of 1ba0 by Molmil](/molmil-images/mine/1ba0) | HEAT-SHOCK COGNATE 70KD PROTEIN 44KD ATPASE N-TERMINAL 1NGE 3 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, HEAT-SHOCK COGNATE 70KD PROTEIN, ... | Authors: | Wilbanks, S.M, Mckay, D.B. | Deposit date: | 1998-04-21 | Release date: | 1998-07-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural replacement of active site monovalent cations by the epsilon-amino group of lysine in the ATPase fragment of bovine Hsc70. Biochemistry, 37, 1998
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1HPM
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4OYQ
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![BU of 4oyq by Molmil](/molmil-images/mine/4oyq) | (6-isothiocyanatohexyl)benzene inhibitor complexed with Macrophage Migration Inhibitory Factor | Descriptor: | 6-isothiocyanatohexylbenzene, GLYCEROL, Macrophage migration inhibitory factor, ... | Authors: | Spencer, E.S, Dale, E.J, Gommans, A.L, Vo, C.T, Rutledge, M.T, Nakatani, Y, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A. | Deposit date: | 2014-02-12 | Release date: | 2014-03-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | To be published To be published
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4OSF
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![BU of 4osf by Molmil](/molmil-images/mine/4osf) | 4-(2-isothiocyanatoethyl)phenol inhibitor complexed with Macrophage Migration Inhibitory Factor | Descriptor: | CHLORIDE ION, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ... | Authors: | Spencer, E.S, Dale, E.J, Gommans, A.L, Vo, C.T, Rutledge, M.T, Nakatani, Y, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A. | Deposit date: | 2014-02-12 | Release date: | 2014-03-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor Eur.J.Med.Chem., 93, 2015
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3LS1
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![BU of 3ls1 by Molmil](/molmil-images/mine/3ls1) | Crystal Structure of Cyanobacterial PsbQ from Synechocystis sp. PCC 6803 complexed with Zn2+ | Descriptor: | Sll1638 protein, ZINC ION | Authors: | Jackson, S.A, Fagerlund, R.D, Wilbanks, S.M, Eaton-Rye, J.J. | Deposit date: | 2010-02-12 | Release date: | 2010-03-31 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structure of PsbQ from Synechocystis sp. PCC 6803 at 1.8 A: Implications for Binding and Function in Cyanobacterial Photosystem II Biochemistry, 49, 2010
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3LS0
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4UBH
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![BU of 4ubh by Molmil](/molmil-images/mine/4ubh) | Resting state of rat cysteine dioxygenase Y157F variant | Descriptor: | CHLORIDE ION, Cysteine dioxygenase type 1, FE (II) ION, ... | Authors: | Tchesnokov, E.P, Fellner, M, Jameson, G.N.L, Wilbanks, S.M. | Deposit date: | 2014-08-13 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Crystal structure of cysteine dioxygenase mutant To be published
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4UBG
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![BU of 4ubg by Molmil](/molmil-images/mine/4ubg) | Resting state of rat cysteine dioxygenase C93G variant | Descriptor: | Cysteine dioxygenase type 1, FE (II) ION, SODIUM ION | Authors: | Fellner, M, Tchesnokov, E.P, Jameson, G.N, Wilbanks, S.M. | Deposit date: | 2014-08-13 | Release date: | 2014-11-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Cys-Tyr Cross-Link of Cysteine Dioxygenase Changes the Optimal pH of the Reaction without a Structural Change. Biochemistry, 53, 2014
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4YNI
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4YSF
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4YYO
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![BU of 4yyo by Molmil](/molmil-images/mine/4yyo) | Resting state of rat cysteine dioxygenase C164S variant | Descriptor: | CHLORIDE ION, Cysteine dioxygenase type 1, FE (II) ION | Authors: | Fellner, M, Tchesnokov, E.P, Siakkou, E, Rutledge, M.T, Jameson, G.N.L, Wilbanks, S.M. | Deposit date: | 2015-03-24 | Release date: | 2016-06-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Influence of cysteine 164 on active site structure in rat cysteine dioxygenase. J.Biol.Inorg.Chem., 21, 2016
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9BNQ
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![BU of 9bnq by Molmil](/molmil-images/mine/9bnq) | N-(4-(isothiocyanatomethyl)phenyl)methanesulfonamide complexed with Macrophage Migration Inhibitory Factor | Descriptor: | ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, N-{[4-(methanesulfonamido)phenyl]methyl}methanethioamide, ... | Authors: | Fellner, M, Rutledge, M.T, Putha, L, Kok, L.K, Gamble, A.B, Wilbanks, S.M, Vernall, A.J, Tyndall, J.D.A. | Deposit date: | 2024-05-02 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Covalent isothiocyanate inhibitors of macrophage migration inhibitory factor as potential colorectal cancer treatments. Chemmedchem, 2024
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9BNR
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![BU of 9bnr by Molmil](/molmil-images/mine/9bnr) | 4-(2-isothiocyanatoethyl)benzenesulfonamide complexed with Macrophage Migration Inhibitory Factor | Descriptor: | Macrophage migration inhibitory factor, N-[2-(4-sulfamoylphenyl)ethyl]methanethioamide, SULFATE ION | Authors: | Fellner, M, Rutledge, M.T, Putha, L, Kok, L.K, Gamble, A.B, Wilbanks, S.M, Vernall, A.J, Tyndall, J.D.A. | Deposit date: | 2024-05-02 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Covalent isothiocyanate inhibitors of macrophage migration inhibitory factor as potential colorectal cancer treatments. Chemmedchem, 2024
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3NWV
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![BU of 3nwv by Molmil](/molmil-images/mine/3nwv) | Human cytochrome c G41S | Descriptor: | Cytochrome c, HEME C | Authors: | Fagerlund, R.D, Wilbanks, S.M. | Deposit date: | 2010-07-11 | Release date: | 2011-03-09 | Last modified: | 2019-10-02 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Proapoptotic G41S Mutation to Human Cytochrome c Alters the Heme Electronic Structure and Increases the Electron Self-Exchange Rate. J.Am.Chem.Soc., 133, 2011
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4TLF
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![BU of 4tlf by Molmil](/molmil-images/mine/4tlf) | Crystal structure of Thiol dioxygenase from Pseudomonas aeruginosa | Descriptor: | 3-mercaptopropionate dioxygenase, FE (II) ION | Authors: | Fellner, M, Tchesnokov, E.P, Jameson, G.N.L, Wilbanks, S.M. | Deposit date: | 2014-05-29 | Release date: | 2015-06-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.137 Å) | Cite: | The Cysteine Dioxygenase Homologue from Pseudomonas aeruginosa Is a 3-Mercaptopropionate Dioxygenase. J.Biol.Chem., 290, 2015
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6ECJ
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2KMF
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![BU of 2kmf by Molmil](/molmil-images/mine/2kmf) | Solution Structure of Psb27 from cyanobacterial photosystem II | Descriptor: | Photosystem II 11 kDa protein | Authors: | Mabbitt, P.D, Rautureau, G.J.P, Day, C.L, Wilbanks, S.M, Eaton-Rye, J.J, Hinds, M.G. | Deposit date: | 2009-07-28 | Release date: | 2009-09-08 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of Psb27 from cyanobacterial photosystem II Biochemistry, 48, 2009
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4Z82
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![BU of 4z82 by Molmil](/molmil-images/mine/4z82) | Cysteine bound rat cysteine dioxygenase C164S variant at pH 8.1 | Descriptor: | CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION | Authors: | Fellner, M, Tchesnokov, E.P, Siakkou, E, Rutledge, M.T, Kanitz, M, Jameson, G.N.L, Wilbanks, S.M. | Deposit date: | 2015-04-08 | Release date: | 2016-06-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Influence of cysteine 164 on active site structure in rat cysteine dioxygenase. J.Biol.Inorg.Chem., 21, 2016
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4WVZ
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![BU of 4wvz by Molmil](/molmil-images/mine/4wvz) | Crystal structure of artificial crosslinked thiol dioxygenase G95C variant from Pseudomonas aeruginosa | Descriptor: | 3-mercaptopropionate dioxygenase, FE (II) ION | Authors: | Fellner, M, Tchesnokov, E.P, Jameson, G.N.L, Wilbanks, S.M. | Deposit date: | 2014-11-09 | Release date: | 2016-02-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Substrate and pH-Dependent Kinetic Profile of 3-Mercaptopropionate Dioxygenase from Pseudomonas aeruginosa. Biochemistry, 55, 2016
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4F2K
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![BU of 4f2k by Molmil](/molmil-images/mine/4f2k) | Macrophage Migration Inhibitory Factor covalently complexed with phenethylisothiocyanate | Descriptor: | ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, N-(2-phenylethyl)thioformamide, ... | Authors: | Tyndall, J.D.A, Bernhagen, J, Hampton, M.B, Wilbanks, S.M, Rutledge, M.T. | Deposit date: | 2012-05-08 | Release date: | 2012-06-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Macrophage migration inhibitory factor covalently complexed with phenethyl isothiocyanate Acta Crystallogr.,Sect.F, 68, 2012
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1G3I
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![BU of 1g3i by Molmil](/molmil-images/mine/1g3i) | CRYSTAL STRUCTURE OF THE HSLUV PROTEASE-CHAPERONE COMPLEX | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-DEPENDENT HSLU PROTEASE ATP-BINDING SUBUNIT HSLU, ATP-DEPENDENT PROTEASE HSLV | Authors: | Sousa, M.C, Trame, C.B, Tsuruta, H, Wilbanks, S.M, Reddy, V.S, McKay, D.B. | Deposit date: | 2000-10-24 | Release date: | 2000-11-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.41 Å) | Cite: | Crystal and solution structures of an HslUV protease-chaperone complex. Cell(Cambridge,Mass.), 103, 2000
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3WNR
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![BU of 3wnr by Molmil](/molmil-images/mine/3wnr) | Multiple binding modes of benzyl isothiocyanate inhibitor complexed with Macrophage Migration Inhibitory Factor | Descriptor: | CHLORIDE ION, GLYCEROL, Macrophage migration inhibitory factor, ... | Authors: | Spencer, E.S, Dale, E.J, Gommans, A.L, Rutledge, M.T, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A. | Deposit date: | 2013-12-16 | Release date: | 2014-03-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.008 Å) | Cite: | Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor Eur.J.Med.Chem., 93, 2015
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3WNT
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![BU of 3wnt by Molmil](/molmil-images/mine/3wnt) | Multiple binding modes of benzyl isothiocyanate inhibitor complexed with Macrophage Migration Inhibitory Factor | Descriptor: | ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, N-benzylthioformamide, ... | Authors: | Spencer, E.S, Dale, E.J, Gommans, A.L, Rutledge, M.T, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A. | Deposit date: | 2013-12-16 | Release date: | 2014-03-05 | Last modified: | 2015-04-01 | Method: | X-RAY DIFFRACTION (2.074 Å) | Cite: | Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor Eur.J.Med.Chem., 93, 2015
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