3UT2
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![BU of 3ut2 by Molmil](/molmil-images/mine/3ut2) | Crystal Structure of Fungal MagKatG2 | Descriptor: | Catalase-peroxidase 2, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Zamocky, M, Garcia-Fernandez, M.Q, Gasselhuber, B, Jakopitsch, C, Furtmuller, P.G, Loewen, P.C, Fita, I, Obinger, C, Carpena, X. | Deposit date: | 2011-11-24 | Release date: | 2012-07-25 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.549 Å) | Cite: | High Conformational Stability of Secreted Eukaryotic Catalase-peroxidases: ANSWERS FROM FIRST CRYSTAL STRUCTURE AND UNFOLDING STUDIES. J.Biol.Chem., 287, 2012
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7YIC
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![BU of 7yic by Molmil](/molmil-images/mine/7yic) | |
3R91
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![BU of 3r91 by Molmil](/molmil-images/mine/3r91) | Macrocyclic lactams as potent Hsp90 inhibitors with excellent tumor exposure and extended biomarker activity. | Descriptor: | (6S)-4,6,15,15,18-pentamethyl-5,17-dioxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-12,8-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide, Heat shock protein HSP 90-alpha | Authors: | Zapf, C.W, Bloom, J.D, McBean, J.L, Dushin, R.G, Nittoli, T, Otteng, M, Ingalls, C, Golas, J.M, Liu, H, Lucas, J, Boschelli, F, Vogan, E, Hu, Y, Levin, J.I. | Deposit date: | 2011-03-24 | Release date: | 2011-05-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.579 Å) | Cite: | Macrocyclic lactams as potent Hsp90 inhibitors with excellent tumor exposure and extended biomarker activity. Bioorg.Med.Chem.Lett., 21, 2011
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3RIQ
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![BU of 3riq by Molmil](/molmil-images/mine/3riq) | Siphovirus 9NA tailspike receptor binding domain | Descriptor: | GLYCEROL, Tailspike protein | Authors: | Andres, D, Roske, Y, Doering, C, Heinemann, U, Seckler, R, Barbirz, S. | Deposit date: | 2011-04-14 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Tail morphology controls DNA release in two Salmonella phages with one lipopolysaccharide receptor recognition system. Mol.Microbiol., 83, 2012
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1A5D
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![BU of 1a5d by Molmil](/molmil-images/mine/1a5d) | GAMMAE CRYSTALLIN FROM RAT LENS | Descriptor: | GAMMAE CRYSTALLIN | Authors: | Norledge, B.V, Hay, R, Bateman, O.A, Slingsby, C, Driessen, H.P.C. | Deposit date: | 1998-02-12 | Release date: | 1998-05-27 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Towards a molecular understanding of phase separation in the lens: a comparison of the X-ray structures of two high Tc gamma-crystallins, gammaE and gammaF, with two low Tc gamma-crystallins, gammaB and gammaD. Exp.Eye Res., 65, 1997
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2BQZ
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![BU of 2bqz by Molmil](/molmil-images/mine/2bqz) | Crystal structure of a ternary complex of the human histone methyltransferase Pr-SET7 (also known as SET8) | Descriptor: | HISTONE H4, S-ADENOSYL-L-HOMOCYSTEINE, SET8 PROTEIN | Authors: | Xiao, B, Jing, C, Kelly, G, Walker, P.A, Muskett, F.W, Frenkiel, T.A, Martin, S.R, Sarma, K, Reinberg, D, Gamblin, S.J, Wilson, J.R. | Deposit date: | 2005-04-28 | Release date: | 2005-06-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Specificity and Mechanism of the Histone Methyltransferase Pr-Set7 Genes Dev., 19, 2005
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2VIE
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![BU of 2vie by Molmil](/molmil-images/mine/2vie) | Human BACE-1 in complex with N-((1S,2R)-1-benzyl-2-hydroxy-3-((1,1,5- trimethylhexyl)amino)propyl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl) benzamide | Descriptor: | BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1,1,5-trimethylhexyl)amino]propyl}-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide | Authors: | Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G. | Deposit date: | 2007-11-30 | Release date: | 2008-01-29 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character. Bioorg.Med.Chem.Lett., 18, 2008
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2BV2
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![BU of 2bv2 by Molmil](/molmil-images/mine/2bv2) | beta gamma crystallin from Ciona Intestinalis | Descriptor: | ACETATE ION, CALCIUM ION, CIONA BETAGAMMA-CRYSTALLIN, ... | Authors: | Shimeld, S.M, Purkiss, A.G, Dirks, R.P.H, Bateman, O.A, Slingsby, C, Lubsen, N.H. | Deposit date: | 2005-06-21 | Release date: | 2005-09-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Urochordate Betagamma-Crystallin and the Evolutionary Origin of the Vertebrate Eye Lens. Curr.Biol., 15, 2005
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1O9C
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![BU of 1o9c by Molmil](/molmil-images/mine/1o9c) | Structural view of a fungal toxin acting on a 14-3-3 regulatory complex | Descriptor: | 14-3-3-LIKE PROTEIN C, CHLORIDE ION, CITRATE ANION | Authors: | Wurtele, M, Jelich-Ottmann, C, Wittinghofer, A, Oecking, C. | Deposit date: | 2002-12-12 | Release date: | 2003-03-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural View of a Fungal Toxin Acting on a 14-3-3 Regulatory Complex Embo J., 22, 2003
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1O9F
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![BU of 1o9f by Molmil](/molmil-images/mine/1o9f) | Structural view of a fungal toxin acting on a 14-3-3 regulatory complex | Descriptor: | 14-3-3-LIKE PROTEIN C, FUSICOCCIN, PLASMA MEMBRANE H+ ATPASE | Authors: | Wurtele, M, Jelich-Ottmann, C, Wittinghofer, A, Oecking, C. | Deposit date: | 2002-12-12 | Release date: | 2003-03-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural View of a Fungal Toxin Acting on a 14-3-3 Regulatory Complex Embo J., 22, 2003
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1O9E
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![BU of 1o9e by Molmil](/molmil-images/mine/1o9e) | Structural view of a fungal toxin acting on a 14-3-3 regulatory complex | Descriptor: | 14-3-3-LIKE PROTEIN C, CITRATE ANION, FUSICOCCIN | Authors: | Wurtele, M, Jelich-Ottmann, C, Wittinghofer, A, Oecking, C. | Deposit date: | 2002-12-12 | Release date: | 2003-03-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural View of a Fungal Toxin Acting on a 14-3-3 Regulatory Complex Embo J., 22, 2003
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2VJ7
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![BU of 2vj7 by Molmil](/molmil-images/mine/2vj7) | Human BACE-1 in complex with 3-(ethylamino)-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)propyl)-5-(2-oxo-1-pyrrolidinyl)benzamide | Descriptor: | BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide | Authors: | Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G. | Deposit date: | 2007-12-06 | Release date: | 2008-01-29 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character. Bioorg.Med.Chem.Lett., 18, 2008
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3F9P
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![BU of 3f9p by Molmil](/molmil-images/mine/3f9p) | Crystal structure of myeloperoxidase from human leukocytes | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | Authors: | Carpena, X, Fita, I, Obinger, C. | Deposit date: | 2008-11-14 | Release date: | 2009-07-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Essential role of proximal histidine-asparagine interaction in Mammalian peroxidases. J.Biol.Chem., 284, 2009
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2VIX
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![BU of 2vix by Molmil](/molmil-images/mine/2vix) | Methylated Shigella flexneri MxiC | Descriptor: | ACETATE ION, GLYCEROL, PROTEIN MXIC | Authors: | Deane, J.E, Roversi, P, King, C, Johnson, S, Lea, S.M. | Deposit date: | 2007-12-05 | Release date: | 2008-03-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structures of the Shigella Flexneri Type 3 Secretion System Protein Mxic Reveal Conformational Variability Amongst Homologues. J.Mol.Biol., 377, 2008
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2V9A
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![BU of 2v9a by Molmil](/molmil-images/mine/2v9a) | Structure of Citrate-free Periplasmic Domain of Sensor Histidine Kinase CitA | Descriptor: | SENSOR KINASE CITA | Authors: | Sevvana, M, Vijayan, V, Zweckstetter, M, Reinelt, S, Madden, D.R, Sheldrick, G.M, Bott, M, Griesinger, C, Becker, S. | Deposit date: | 2007-08-23 | Release date: | 2008-03-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Ligand-Induced Switch in the Periplasmic Domain of Sensor Histidine Kinase Cita. J.Mol.Biol., 377, 2008
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6SP1
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![BU of 6sp1 by Molmil](/molmil-images/mine/6sp1) | KEAP1 IN COMPLEX WITH COMPOUND 6 | Descriptor: | (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1 | Authors: | Ontoria, J.M, Biancofiore, I, Fezzardi, P, Torrente de Haro, E, Colarusso, S, Bianchi, E, Andreini, M, Patsilinakos, A, Summa, V, Pacifici, R, Munoz-Sanjuan, I, Park, L, Bresciani, A, Dominguez, C, Toledo-Sherman, L, Harper, S. | Deposit date: | 2019-08-30 | Release date: | 2020-06-03 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction. Acs Med.Chem.Lett., 11, 2020
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2WF3
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![BU of 2wf3 by Molmil](/molmil-images/mine/2wf3) | Human BACE-1 in complex with 6-(ethylamino)-N-((1S,2R)-2-hydroxy-3-(((3-(methyloxy)phenyl)methyl)amino)-1-(phenylmethyl)propyl)-1-methyl-1, 3,4,5-tetrahydro-2,1-benzothiazepine-8-carboxamide 2,2-dioxide | Descriptor: | BETA-SECRETASE 1, GLYCEROL, N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-6-(ETHYLAMINO)-1-METHYL-1,3,4,5-TETRAHYDRO-2,1-BENZOTHIAZEPINE-8-CARBOXAMIDE 2,2-DIOXIDE | Authors: | Charrier, N, Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Hubbard, J, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | Deposit date: | 2009-04-02 | Release date: | 2009-05-19 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Second Generation of Bace-1 Inhibitors Part 2: Optimisation of the Non-Prime Side Substituent. Bioorg.Med.Chem.Lett., 19, 2009
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2W0N
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![BU of 2w0n by Molmil](/molmil-images/mine/2w0n) | Plasticity of PAS domain and potential role for signal transduction in the histidine-kinase DcuS | Descriptor: | SENSOR PROTEIN DCUS | Authors: | Etzkorn, M, Kneuper, H, Duennwald, P, Vijayan, V, Kraemer, J, Griesinger, C, Becker, S, Unden, G, Baldus, M. | Deposit date: | 2008-08-19 | Release date: | 2008-09-30 | Last modified: | 2024-05-15 | Method: | SOLID-STATE NMR | Cite: | Plasticity of the Pas Domain and a Potential Role for Signal Transduction in the Histidine Kinase Dcus. Nat.Struct.Mol.Biol., 15, 2008
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2VJ9
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![BU of 2vj9 by Molmil](/molmil-images/mine/2vj9) | Human BACE-1 in complex with N-((1S,2R)-3-(cyclohexylamino)-2-hydroxy- 1-(phenylmethyl)propyl)-3-(ethylamino)-5-(2-oxo-1-pyrrolidinyl) benzamide | Descriptor: | BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide | Authors: | Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G. | Deposit date: | 2007-12-07 | Release date: | 2008-01-29 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character. Bioorg.Med.Chem.Lett., 18, 2008
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2VJ5
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![BU of 2vj5 by Molmil](/molmil-images/mine/2vj5) | Shigella flexneri MxiC | Descriptor: | PROTEIN MXIC | Authors: | Deane, J.E, Roversi, P, King, C, Johnson, S, Lea, S.M. | Deposit date: | 2007-12-06 | Release date: | 2008-03-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of the Shigella Flexneri Type 3 Secretion System Protein Mxic Reveal Conformational Variability Amongst Homologues. J.Mol.Biol., 377, 2008
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2VIJ
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![BU of 2vij by Molmil](/molmil-images/mine/2vij) | Human BACE-1 in complex with 3-(1,1-dioxidotetrahydro-2H-1,2-thiazin- 2-yl)-5-(ethylamino)-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(1,2,3,4- tetrahydro-1-naphthalenylamino)propyl)benzamide | Descriptor: | BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-ylamino]propyl}-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide | Authors: | Beswick, P, Charrier, N, Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Gleave, R, Hawkins, J, Hussain, I, Johnson, C.N, Macpherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Skidmore, J, Soleil, V, Smith, K.J, Stanway, S, Stemp, G, Stuart, A, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G. | Deposit date: | 2007-12-04 | Release date: | 2008-01-29 | Last modified: | 2019-09-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Bace-1 Inhibitors Part 3: Identification of Hydroxy Ethylamines (Heas) with Nanomolar Potency in Cells. Bioorg.Med.Chem.Lett., 18, 2008
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1SNT
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![BU of 1snt by Molmil](/molmil-images/mine/1snt) | Structure of the human cytosolic sialidase Neu2 | Descriptor: | Sialidase 2 | Authors: | Chavas, L.M.G, Fusi, P, Tringali, C, Venerando, B, Tettamanti, G, Kato, R, Monti, E, Wakatsuki, S. | Deposit date: | 2004-03-12 | Release date: | 2004-11-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal Structure of the Human Cytosolic Sialidase Neu2: EVIDENCE FOR THE DYNAMIC NATURE OF SUBSTRATE RECOGNITION J.Biol.Chem., 280, 2005
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2BOL
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![BU of 2bol by Molmil](/molmil-images/mine/2bol) | CRYSTAL STRUCTURE AND ASSEMBLY OF TSP36, A METAZOAN SMALL HEAT SHOCK PROTEIN | Descriptor: | SMALL HEAT SHOCK PROTEIN, SULFATE ION | Authors: | Stamler, R.J, Kappe, G, Boelens, W.C, Slingsby, C. | Deposit date: | 2005-04-12 | Release date: | 2005-09-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Wrapping the Alpha-Crystallin Domain Fold in a Chaperone Assembly. J.Mol.Biol., 353, 2005
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6SP4
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![BU of 6sp4 by Molmil](/molmil-images/mine/6sp4) | KEAP1 IN COMPLEX WITH COMPOUND 23 | Descriptor: | (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide, Kelch-like ECH-associated protein 1 | Authors: | Ontoria, J.M, Biancofiore, I, Fezzardi, P, Torrente de Haro, E, Colarusso, S, Bianchi, E, Andreini, M, Patsilinakos, A, Summa, V, Pacifici, R, Munoz-Sanjuan, I, Park, L, Bresciani, A, Dominguez, C, Toledo-Sherman, L, Harper, S. | Deposit date: | 2019-08-30 | Release date: | 2020-06-03 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction. Acs Med.Chem.Lett., 11, 2020
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2JK4
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![BU of 2jk4 by Molmil](/molmil-images/mine/2jk4) | Structure of the human voltage-dependent anion channel | Descriptor: | VOLTAGE-DEPENDENT ANION-SELECTIVE CHANNEL PROTEIN 1 | Authors: | Bayrhuber, M, Meins, T, Habeck, M, Becker, S, Giller, K, Villinger, S, Vonrhein, C, Griesinger, C, Zweckstetter, M, Zeth, K. | Deposit date: | 2008-08-15 | Release date: | 2008-10-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (4.1 Å) | Cite: | Structure of the Human Voltage-Dependent Anion Channel. Proc.Natl.Acad.Sci.USA, 105, 2008
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