1KGI
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![BU of 1kgi by Molmil](/molmil-images/mine/1kgi) | Rat transthyretin (also called prealbumin) complex with 3,3',5,5'-tetraiodothyroacetic acid (t4ac) | Descriptor: | 3,3',5,5'-TETRAIODOTHYROACETIC ACID, TRANSTHYRETIN | Authors: | Wojtczak, A, Neumann, P, Muziol, T, Cody, V, Luft, J.R, Pangborn, W. | Deposit date: | 2001-11-27 | Release date: | 2002-11-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Complex of rat transthyretin with tetraiodothyroacetic acid refined at 2.1 and 1.8 A resolution. Acta Biochim.Pol., 48, 2001
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1ZJG
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![BU of 1zjg by Molmil](/molmil-images/mine/1zjg) | 13mer-co | Descriptor: | 5'-D(*AP*TP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*T)-3', 5'-D(*TP*AP*GP*CP*CP*CP*CP*GP*CP*CP*CP*CP*A)-3', COBALT HEXAMMINE(III), ... | Authors: | Dohm, J.A, Hsu, M.H, Hwu, J.R, Huang, R.C, Moudrianakis, E.N, Lattman, E.E, Gittis, A.G. | Deposit date: | 2005-04-28 | Release date: | 2005-05-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Influence of Ions, Hydration, and the Transcriptional Inhibitor P4N on the Conformations of the Sp1 Binding Site. J.Mol.Biol., 349, 2005
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1YWJ
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![BU of 1ywj by Molmil](/molmil-images/mine/1ywj) | Structure of the FBP11WW1 domain | Descriptor: | Formin-binding protein 3 | Authors: | Pires, J.R, Parthier, C, Aido-Machado, R, Wiedemann, U, Otte, L, Boehm, G, Rudolph, R, Oschkinat, H. | Deposit date: | 2005-02-18 | Release date: | 2005-04-12 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structural basis for APPTPPPLPP peptide recognition by the FBP11WW1 domain. J.Mol.Biol., 348, 2005
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1ZLZ
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![BU of 1zlz by Molmil](/molmil-images/mine/1zlz) | Re-Evaluation of the Low-Temperature Azide in Mn-Dependent Superoxide Dismutase | Descriptor: | AZIDE ION, MANGANESE ION, 1 HYDROXYL COORDINATED, ... | Authors: | Salvador, J.R, Whittaker, M.M, Whittaker, J.W, Jameson, G.B. | Deposit date: | 2005-05-09 | Release date: | 2006-05-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Azide Adduct of the Y174F mutant of Manganese superoxide dismutase from Escherichia coli TO BE PUBLISHED
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1Y7Q
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![BU of 1y7q by Molmil](/molmil-images/mine/1y7q) | Mammalian SCAN domain dimer is a domain-swapped homologue of the HIV capsid C-terminal domain | Descriptor: | Zinc finger protein 174 | Authors: | Ivanov, D, Stone, J.R, Maki, J.L, Collins, T, Wagner, G. | Deposit date: | 2004-12-09 | Release date: | 2005-01-18 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Mammalian SCAN Domain Dimer Is a Domain-Swapped Homolog of the HIV Capsid C-Terminal Domain Mol.Cell, 17, 2005
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1IOV
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![BU of 1iov by Molmil](/molmil-images/mine/1iov) | COMPLEX OF D-ALA:D-ALA LIGASE WITH ADP AND A PHOSPHORYL PHOSPHONATE | Descriptor: | 2-[(1-AMINO-ETHYL)-PHOSPHATE-PHOSPHINOYLOXY]-BUTYRIC ACID, ADENOSINE-5'-DIPHOSPHATE, D-ALA:D-ALA LIGASE, ... | Authors: | Knox, J.R, Moews, P.C, Fan, C. | Deposit date: | 1996-09-20 | Release date: | 1997-02-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | D-alanine:D-alanine ligase: phosphonate and phosphinate intermediates with wild type and the Y216F mutant. Biochemistry, 36, 1997
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1IOW
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![BU of 1iow by Molmil](/molmil-images/mine/1iow) | COMPLEX OF Y216F D-ALA:D-ALA LIGASE WITH ADP AND A PHOSPHORYL PHOSPHINATE | Descriptor: | 1(S)-AMINOETHYL-(2-CARBOXYPROPYL)PHOSPHORYL-PHOSPHINIC ACID, ADENOSINE-5'-DIPHOSPHATE, D-ALA:D-ALA LIGASE, ... | Authors: | Knox, J.R, Moews, P.C, Fan, C. | Deposit date: | 1996-09-20 | Release date: | 1997-02-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | D-alanine:D-alanine ligase: phosphonate and phosphinate intermediates with wild type and the Y216F mutant. Biochemistry, 36, 1997
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1ZC3
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![BU of 1zc3 by Molmil](/molmil-images/mine/1zc3) | Crystal structure of the Ral-binding domain of Exo84 in complex with the active RalA | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Ral-A, ... | Authors: | Jin, R, Junutula, J.R, Matern, H.T, Ervin, K.E, Scheller, R.H, Brunger, A.T. | Deposit date: | 2005-04-10 | Release date: | 2005-06-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Exo84 and Sec5 are competitive regulatory Sec6/8 effectors to the RalA GTPase. Embo J., 24, 2005
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1ZJF
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![BU of 1zjf by Molmil](/molmil-images/mine/1zjf) | 12mer-spd-P4N | Descriptor: | 5'-D(*AP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*T)-3', 5'-D(*TP*AP*GP*CP*CP*CP*CP*GP*CP*CP*CP*C)-3' | Authors: | Dohm, J.A, Hsu, M.H, Hwu, J.R, Huang, R.C, Moudrianakis, E.N, Lattman, E.E, Gittis, A.G. | Deposit date: | 2005-04-28 | Release date: | 2005-05-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Influence of Ions, Hydration, and the Transcriptional Inhibitor P4N on the Conformations of the Sp1 Binding Site. J.Mol.Biol., 349, 2005
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1KLK
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![BU of 1klk by Molmil](/molmil-images/mine/1klk) | CRYSTAL STRUCTURE OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE TERNARY COMPLEX WITH PT653 AND NADPH | Descriptor: | Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE | Authors: | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Rosowsky, A, Queener, S.F. | Deposit date: | 2001-12-12 | Release date: | 2002-12-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-based enzyme inhibitor design: modeling studies and crystal structure analysis of Pneumocystis carinii dihydrofolate reductase ternary complex with PT653 and NADPH. Acta Crystallogr.,Sect.D, 58, 2002
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6OA9
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![BU of 6oa9 by Molmil](/molmil-images/mine/6oa9) | Cdc48-Npl4 complex processing poly-ubiquitinated substrate in the presence of ATP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 48, ... | Authors: | Twomey, E.C, Ji, Z, Wales, T.E, Bodnar, N.O, Engen, J.R, Rapoport, T.A. | Deposit date: | 2019-03-15 | Release date: | 2019-07-03 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Substrate processing by the Cdc48 ATPase complex is initiated by ubiquitin unfolding. Science, 365, 2019
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6OAA
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![BU of 6oaa by Molmil](/molmil-images/mine/6oaa) | Cdc48-Npl4 complex processing poly-ubiquitinated substrate in the presence of ADP-BeFx, state 1 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Cell division control protein 48, ... | Authors: | Twomey, E.C, Ji, Z, Wales, T.E, Bodnar, N.O, Engen, J.R, Rapoport, T.A. | Deposit date: | 2019-03-15 | Release date: | 2019-07-03 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Substrate processing by the Cdc48 ATPase complex is initiated by ubiquitin unfolding. Science, 365, 2019
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2Y6P
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![BU of 2y6p by Molmil](/molmil-images/mine/2y6p) | Evidence for a Two-Metal-Ion-Mechanism in the Kdo- Cytidylyltransferase KdsB | Descriptor: | 3-DEOXY-MANNO-OCTULOSONATE CYTIDYLYLTRANSFERASE, BETA-MERCAPTOETHANOL, CYTIDINE-5'-TRIPHOSPHATE, ... | Authors: | Schmidt, H, Mesters, J.R, Mamat, U, Hilgenfeld, R. | Deposit date: | 2011-01-25 | Release date: | 2011-08-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Evidence for a Two-Metal-Ion Mechanism in the Cytidyltransferase Kdsb, an Enzyme Involved in Lipopolysaccharide Biosynthesis. Plos One, 6, 2011
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6OK8
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![BU of 6ok8 by Molmil](/molmil-images/mine/6ok8) | Crystal structure of Staphylococcal nuclease variant Delta+PHS K127L at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Jeliazkov, J.R, Robinson, A.C, Berger, J.M, Garcia-Moreno E, B, Gray, J.G. | Deposit date: | 2019-04-12 | Release date: | 2019-05-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Toward the computational design of protein crystals with improved resolution. Acta Crystallogr D Struct Biol, 75, 2019
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2Y7X
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![BU of 2y7x by Molmil](/molmil-images/mine/2y7x) | The discovery of potent and long-acting oral factor Xa inhibitors with tetrahydroisoquinoline and benzazepine P4 motifs | Descriptor: | 6-CHLORO-N-[(3S)-1-(5-FLUORO-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL)-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Watson, N.S, Adams, C, Belton, D, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Harling, J.D, Irving, W.R, Irvine, S, Kleanthous, S, McLay, I.M, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Young, R.J. | Deposit date: | 2011-02-02 | Release date: | 2011-03-16 | Last modified: | 2017-06-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Discovery of Potent and Long-Acting Oral Factor Xa Inhibitors with Tetrahydroisoquinoline and Benzazepine P4 Motifs. Bioorg.Med.Chem.Lett., 21, 2011
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6OHJ
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![BU of 6ohj by Molmil](/molmil-images/mine/6ohj) | Crystal Structure of the Debrominase Bmp8 C82A in Complex with 2,3,4-tribromopyrrole | Descriptor: | 2,3,4-tribromo-1H-pyrrole, Debrominase Bmp8, SULFATE ION | Authors: | Chekan, J.R, Moore, B.S. | Deposit date: | 2019-04-05 | Release date: | 2019-05-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Bacterial Tetrabromopyrrole Debrominase Shares a Reductive Dehalogenation Strategy with Human Thyroid Deiodinase. Biochemistry, 58, 2019
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6OD5
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![BU of 6od5 by Molmil](/molmil-images/mine/6od5) | Human TCF4 C-terminal bHLH domain in Complex with 12-bp Oligonucleotide Containing E-box Sequence with 5-carboxylcytosines | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*AP*(1CC)P*GP*CP*AP*CP*GP*TP*GP*(1CC)P*G)-3'), ... | Authors: | Horton, J.R, Cheng, X, Yang, J. | Deposit date: | 2019-03-25 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural basis for preferential binding of human TCF4 to DNA containing 5-carboxylcytosine. Nucleic Acids Res., 47, 2019
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2YZ4
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![BU of 2yz4 by Molmil](/molmil-images/mine/2yz4) | The neutron structure of concanavalin A at 2.2 Angstroms | Descriptor: | CALCIUM ION, Concanavalin A, MANGANESE (II) ION | Authors: | Ahmed, H.U, Blakeley, M.P, Cianci, M, Hubbard, J.A, Helliwell, J.R. | Deposit date: | 2007-05-02 | Release date: | 2008-02-05 | Last modified: | 2023-10-25 | Method: | NEUTRON DIFFRACTION (2.2 Å) | Cite: | The determination of protonation states in proteins. Acta Crystallogr.,Sect.D, 63, 2007
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6O5K
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![BU of 6o5k by Molmil](/molmil-images/mine/6o5k) | Murine TRIM28 Bbox1 domain | Descriptor: | Transcription intermediary factor 1-beta, ZINC ION | Authors: | Sun, Y, Keown, J.R, Goldstone, D.C. | Deposit date: | 2019-03-03 | Release date: | 2019-06-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Dissection of Oligomerization by the TRIM28 Tripartite Motif and the Interaction with Members of the Krab-ZFP Family. J.Mol.Biol., 431, 2019
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2YPN
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![BU of 2ypn by Molmil](/molmil-images/mine/2ypn) | Hydroxymethylbilane synthase | Descriptor: | 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid, PROTEIN (HYDROXYMETHYLBILANE SYNTHASE) | Authors: | Nieh, Y.P, Raftery, J, Weisgerber, S, Habash, J, Schotte, F, Ursby, T, Wulff, M, Haedener, A, Campbell, J.W, Hao, Q, Helliwell, J.R. | Deposit date: | 1999-01-11 | Release date: | 1999-02-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Accurate and highly complete synchrotron protein crystal Laue diffraction data using the ESRF CCD and the Daresbury Laue software J.Synchrotron Radiat., 6, 1999
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6OD3
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![BU of 6od3 by Molmil](/molmil-images/mine/6od3) | Human TCF4 C-terminal bHLH domain in Complex with 13-bp Oligonucleotide Containing E-box Sequence | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*AP*TP*AP*CP*AP*CP*GP*TP*GP*TP*AP*T)-3'), ... | Authors: | Horton, J.R, Cheng, X, Yang, J. | Deposit date: | 2019-03-25 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.494 Å) | Cite: | Structural basis for preferential binding of human TCF4 to DNA containing 5-carboxylcytosine. Nucleic Acids Res., 47, 2019
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4C3V
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![BU of 4c3v by Molmil](/molmil-images/mine/4c3v) | Extensive counter-ion interactions with subtilisin in aqueous medium, no Cs soak | Descriptor: | CALCIUM ION, SODIUM ION, SUBTILISIN CARLSBERG, ... | Authors: | Cianci, M, Negroni, J, Helliwell, J.R, Halling, P.J. | Deposit date: | 2013-08-27 | Release date: | 2014-08-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Extensive Counter-Ion Interactions Seen at the Surface of Subtilisin in an Aqueous Medium Rsc Adv, 2014
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6OD4
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![BU of 6od4 by Molmil](/molmil-images/mine/6od4) | Human TCF4 C-terminal bHLH domain in Complex with 11-bp Oligonucleotide Containing E-box Sequence | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*TP*AP*CP*AP*CP*GP*TP*GP*TP*A)-3'), Transcription factor 4 | Authors: | Horton, J.R, Cheng, X, Yang, J. | Deposit date: | 2019-03-25 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | Structural basis for preferential binding of human TCF4 to DNA containing 5-carboxylcytosine. Nucleic Acids Res., 47, 2019
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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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