4PC8
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6GFM
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![BU of 6gfm by Molmil](/molmil-images/mine/6gfm) | Crystal structure of the Escherichia coli nucleosidase PpnN (pppGpp-form) | Descriptor: | Pyrimidine/purine nucleotide 5'-monophosphate nucleosidase, guanosine 5'-(tetrahydrogen triphosphate) 3'-(trihydrogen diphosphate) | Authors: | Zhang, Y, Baerentsen, R.L, Gerdes, K, Brodersen, D.E. | Deposit date: | 2018-05-01 | Release date: | 2019-04-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | (p)ppGpp Regulates a Bacterial Nucleosidase by an Allosteric Two-Domain Switch. Mol.Cell, 74, 2019
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6GFL
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4QO6
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4QQ0
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3ZQL
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![BU of 3zql by Molmil](/molmil-images/mine/3zql) | DNA-bound form of TetR-like repressor SimR | Descriptor: | 5'-D(*DTP*TP*CP*GP*TP*AP*CP*GP*CP*CP*GP*TP*AP*DCP *GP*AP*A)-3', 5'-D(*DTP*TP*CP*GP*TP*AP*CP*GP*GP*CP*GP*TP*AP*DCP *GP*AP*A)-3', PUTATIVE REPRESSOR SIMREG2 | Authors: | Le, T.B.K, Schumacher, M.A, Lawson, D.M, Brennan, R.G, Buttner, M.J. | Deposit date: | 2011-06-10 | Release date: | 2011-08-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | The Crystal Structure of the Tetr Family Transcriptional Repressor Simr Bound to DNA and the Role of a Flexible N-Terminal Extension in Minor Groove Binding. Nucleic Acids Res., 39, 2011
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3ZLL
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![BU of 3zll by Molmil](/molmil-images/mine/3zll) | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-azanyl-6-oxidanyl-1-(phenylmethyl)pyrimidine-2,4-dione, CHLORIDE ION, ... | Authors: | Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Sarkar, A, Brenk, R, Westwood, N.J, Gray, D, Naismith, J.H. | Deposit date: | 2013-02-01 | Release date: | 2013-02-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa. ACS Chem. Biol., 8, 2013
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3ZW8
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![BU of 3zw8 by Molmil](/molmil-images/mine/3zw8) | Crystal Structure Of Rat Peroxisomal Multifunctional Enzyme Type 1 (rpMFE1) In Apo Form | Descriptor: | GLYCEROL, PEROXISOMAL BIFUNCTIONAL ENZYME, SULFATE ION | Authors: | Kasaragod, P, Schmitz, W, Hiltunen, J.K, Wierenga, R.K. | Deposit date: | 2011-07-28 | Release date: | 2012-08-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Isomerase and Hydratase Reaction Mechanism of the Crotonase Active Site of the Multifunctional Enzyme (Type-1), as Deduced from Structures of Complexes with 3S-Hydroxy- Acyl-Coa. FEBS J., 280, 2013
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3ZWA
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![BU of 3zwa by Molmil](/molmil-images/mine/3zwa) | CRYSTAL STRUCTURE OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE 1 (RPMFE1) COMPLEXED WITH 3S-HYDROXY-HEXANOYL-COA | Descriptor: | (S)-3-Hydroxyhexanoyl-CoA, GLYCEROL, PEROXISOMAL BIFUNCTIONAL ENZYME, ... | Authors: | Kasaragod, P, Schmitz, W, Hiltunen, J.K, Wierenga, R.K. | Deposit date: | 2011-07-28 | Release date: | 2012-08-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | The Isomerase and Hydratase Reaction Mechanism of the Crotonase Active Site of the Multifunctional Enzyme (Type-1), as Deduced from Structures of Complexes with 3S-Hydroxy- Acyl-Coa. FEBS J., 280, 2013
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3ZBL
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![BU of 3zbl by Molmil](/molmil-images/mine/3zbl) | Crystal structure of SCP2 thiolase from Leishmania mexicana: The C123S mutant. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-KETOACYL-COA THIOLASE-LIKE PROTEIN, CHLORIDE ION, ... | Authors: | Harijan, R.K, Kiema, T.-R, Weiss, M.S, Michels, P.A.M, Wierenga, R.K. | Deposit date: | 2012-11-10 | Release date: | 2013-08-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structures of Scp2-Thiolases of Trypanosomatidae, Human Pathogens Causing Widespread Tropical Diseases: The Importance for Catalysis of the Cysteine of the Unique Hdcf Loop. Biochem.J., 455, 2013
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3ZBK
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![BU of 3zbk by Molmil](/molmil-images/mine/3zbk) | Crystal structure of SCP2 thiolase from Leishmania mexicana: The C123A mutant. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-KETOACYL-COA THIOLASE-LIKE PROTEIN, CHLORIDE ION, ... | Authors: | Harijan, R.K, Kiema, T.-R, Weiss, M.S, Michels, P.A.M, Wierenga, R.K. | Deposit date: | 2012-11-10 | Release date: | 2013-08-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structures of Scp2-Thiolases of Trypanosomatidae, Human Pathogens Causing Widespread Tropical Diseases: The Importance for Catalysis of the Cysteine of the Unique Hdcf Loop. Biochem.J., 455, 2013
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3ZLK
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![BU of 3zlk by Molmil](/molmil-images/mine/3zlk) | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | Descriptor: | CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, N-(6-AMINO-1-BENZYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)BENZENESULFONAMIDE | Authors: | Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Sarkar, A, Brenk, R, Westwood, N.J, Gray, D, Naismith, J.H. | Deposit date: | 2013-02-01 | Release date: | 2013-02-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.952 Å) | Cite: | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa. ACS Chem. Biol., 8, 2013
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3ZWB
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![BU of 3zwb by Molmil](/molmil-images/mine/3zwb) | CRYSTAL STRUCTURE OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE 1 (RPMFE1) COMPLEXED WITH 2TRANS-HEXENOYL-COA | Descriptor: | (2E)-Hexenoyl-CoA, GLYCEROL, PEROXISOMAL BIFUNCTIONAL ENZYME, ... | Authors: | Kasaragod, P, Schmitz, W, Hiltunen, J.K, Wierenga, R.K. | Deposit date: | 2011-07-28 | Release date: | 2012-08-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The Isomerase and Hydratase Reaction Mechanism of the Crotonase Active Site of the Multifunctional Enzyme (Type-1), as Deduced from Structures of Complexes with 3S-Hydroxy- Acyl-Coa. FEBS J., 280, 2013
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3ZWC
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![BU of 3zwc by Molmil](/molmil-images/mine/3zwc) | CRYSTAL STRUCTURE OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE 1 (RPMFE1) COMPLEXED WITH 3S-HYDROXY-DECANOYL-COA | Descriptor: | (S)-3-HYDROXYDECANOYL-COA, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Kasaragod, P, Schmitz, W, Hiltunen, J.K, Wierenga, R.K. | Deposit date: | 2011-07-28 | Release date: | 2012-08-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Isomerase and Hydratase Reaction Mechanism of the Crotonase Active Site of the Multifunctional Enzyme (Type-1), as Deduced from Structures of Complexes with 3S-Hydroxy- Acyl-Coa. FEBS J., 280, 2013
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3ZW9
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![BU of 3zw9 by Molmil](/molmil-images/mine/3zw9) | CRYSTAL STRUCTURE OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE 1 (RPMFE1) COMPLEXED WITH (2S,3S)-3-HYDROXY-2-METHYLBUTANOYL-COA | Descriptor: | (2S,3S)-3-HYDROXY-2-METHYLBUTANOYL-COA, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PEROXISOMAL BIFUNCTIONAL ENZYME, ... | Authors: | Kasaragod, P, Schmitz, W, Hiltunen, J.K, Wierenga, R.K. | Deposit date: | 2011-07-28 | Release date: | 2012-08-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The Isomerase and Hydratase Reaction Mechanism of the Crotonase Active Site of the Multifunctional Enzyme (Type-1), as Deduced from Structures of Complexes with 3S-Hydroxy- Acyl-Coa. FEBS J., 280, 2013
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3ZBN
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![BU of 3zbn by Molmil](/molmil-images/mine/3zbn) | Crystal structure of SCP2 thiolase from Leishmania mexicana. Complex of the C123A mutant with Coenzyme A. | Descriptor: | 3-KETOACYL-COA THIOLASE-LIKE PROTEIN, COENZYME A | Authors: | Harijan, R.K, Kiema, T.-R, Weiss, M.S, Michels, P.A.M, Wierenga, R.K. | Deposit date: | 2012-11-11 | Release date: | 2013-08-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal Structures of Scp2-Thiolases of Trypanosomatidae, Human Pathogens Causing Widespread Tropical Diseases: The Importance for Catalysis of the Cysteine of the Unique Hdcf Loop. Biochem.J., 455, 2013
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3ZBG
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![BU of 3zbg by Molmil](/molmil-images/mine/3zbg) | Crystal structure of wild-type SCP2 thiolase from Leishmania mexicana at 1.85 A | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-KETOACYL-COA THIOLASE-LIKE PROTEIN, DIMETHYL SULFOXIDE | Authors: | Harijan, R.K, Kiema, T.-R, Weiss, M.S, Michels, P.A.M, Wierenga, R.K. | Deposit date: | 2012-11-09 | Release date: | 2013-08-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structures of Scp2-Thiolases of Trypanosomatidae, Human Pathogens Causing Widespread Tropical Diseases: The Importance for Catalysis of the Cysteine of the Unique Hdcf Loop. Biochem.J., 455, 2013
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4A33
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![BU of 4a33 by Molmil](/molmil-images/mine/4a33) | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A PYRAZOLE SULPHONAMIDE LIGAND | Descriptor: | 2,6-DICHLORO-4-(6-PIPERAZIN-1-YLPYRIDIN-3-YL)-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | Authors: | Robinson, D.A, Brand, S, Cleghorn, L.A.T, McElroy, S.P, Smith, V.C, Hallyburton, I, Harrison, J.R, Norcross, N.R, Norval, S, Spinks, D, Stojanovski, L, Torrie, L.S, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Read, K.D, Wyatt, P.G, Gilbert, I.H. | Deposit date: | 2011-09-29 | Release date: | 2011-12-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors. J. Med. Chem., 55, 2012
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4A31
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![BU of 4a31 by Molmil](/molmil-images/mine/4a31) | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A PYRAZOLE SULPHONAMIDE LIGAND | Descriptor: | 6-{[2-(4-METHYLPIPERAZIN-1-YL)ETHYL]AMINO}-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)PYRIDINE-3-SULFONAMIDE, GLYCEROL, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ... | Authors: | Robinson, D.A, Brand, S, Cleghorn, L.A.T, McElroy, S.P, Smith, V.C, Hallyburton, I, Harrison, J.R, Norcross, N.R, Norval, S, Spinks, D, Stojanovski, L, Torrie, L.S, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Read, K.D, Wyatt, P.G, Gilbert, I.H. | Deposit date: | 2011-09-29 | Release date: | 2011-12-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors. J. Med. Chem., 55, 2012
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4A32
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![BU of 4a32 by Molmil](/molmil-images/mine/4a32) | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A PYRAZOLE SULPHONAMIDE LIGAND | Descriptor: | 3,5-DICHLORO-3'-[(DIETHYLAMINO)METHYL]-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BIPHENYL-4-SULFONAMIDE, GLYCEROL, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ... | Authors: | Robinson, D.A, Brand, S, Cleghorn, L.A.T, McElroy, S.P, Smith, V.C, Hallyburton, I, Harrison, J.R, Norcross, N.R, Norval, S, Spinks, D, Stojanovski, L, Torrie, L.S, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Read, K.D, Wyatt, P.G, Gilbert, I.H. | Deposit date: | 2011-09-29 | Release date: | 2011-12-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors. J. Med. Chem., 55, 2012
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4JPF
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![BU of 4jpf by Molmil](/molmil-images/mine/4jpf) | Structure of wild type Pseudomonas aeruginosa FabF (KASII) in Complex with ligand | Descriptor: | 3-(benzoylamino)-2-hydroxybenzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, MAGNESIUM ION, ... | Authors: | Baum, B, Brenk, R, Jaenicke, E. | Deposit date: | 2013-03-19 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structures of Pseudomonas aeruginosa beta-ketoacyl-(acyl-carrier-protein) synthase II (FabF) and a C164Q mutant provide templates for antibacterial drug discovery and identify a buried potassium ion and a ligand-binding site that is an artefact of the crystal form. Acta Crystallogr F Struct Biol Commun, 71, 2015
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3ZDW
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![BU of 3zdw by Molmil](/molmil-images/mine/3zdw) | Substrate and dioxygen binding to the endospore coat laccase CotA from Bacillus subtilis | Descriptor: | 3-ETHYL-2-[(2Z)-2-(3-ETHYL-6-SULFO-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)HYDRAZINO]-6-SULFO-3H-1,3-BENZOTHIAZOL-1-IUM, COPPER (I) ION, COTA LACCASE, ... | Authors: | Enguita, F.J, Marcal, D, Grenha, R, Lindley, P.F, Carrondo, M.A. | Deposit date: | 2012-12-01 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Substrate and Dioxygen Binding to the Endospore Coat Laccase from Bacillus Subtilis. J.Biol.Chem., 279, 2004
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4C2K
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![BU of 4c2k by Molmil](/molmil-images/mine/4c2k) | Crystal structure of human mitochondrial 3-ketoacyl-CoA thiolase | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Kiema, T.-R, Harijan, R.K, Wierenga, R.K. | Deposit date: | 2013-08-19 | Release date: | 2014-09-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Crystal Structure of Human Mitochondrial 3-Ketoacyl-Coa Thiolase (T1): Insight Into the Reaction Mechanism of its Thiolase and Thioesterase Activities Acta Crystallogr.,Sect.D, 70, 2014
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4ZDB
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![BU of 4zdb by Molmil](/molmil-images/mine/4zdb) | Yeast enoyl-CoA isomerase (ScECI2) complexed with acetoacetyl-CoA | Descriptor: | 3,2-trans-enoyl-CoA isomerase, ACETOACETYL-COENZYME A, GLYCEROL, ... | Authors: | Onwukwe, G.U, Koski, M.K, Wierenga, R.K. | Deposit date: | 2015-04-17 | Release date: | 2015-11-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structures of yeast peroxisomal Delta (3), Delta (2)-enoyl-CoA isomerase complexed with acyl-CoA substrate analogues: the importance of hydrogen-bond networks for the reactivity of the catalytic base and the oxyanion hole. Acta Crystallogr.,Sect.D, 71, 2015
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4DDA
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![BU of 4dda by Molmil](/molmil-images/mine/4dda) | EVAL processed HEWL, NAG | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Lysozyme C | Authors: | Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R. | Deposit date: | 2012-01-18 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein. Acta Crystallogr.,Sect.D, 68, 2012
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