3K5V
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![BU of 3k5v by Molmil](/molmil-images/mine/3k5v) | Structure of Abl kinase in complex with imatinib and GNF-2 | Descriptor: | 3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, ... | Authors: | Cowan-Jacob, S.W, Fendrich, G, Rummel, G, Strauss, A. | Deposit date: | 2009-10-08 | Release date: | 2010-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Targeting Bcr-Abl by combining allosteric with ATP-binding-site inhibitors. Nature, 463, 2010
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6YBZ
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![BU of 6ybz by Molmil](/molmil-images/mine/6ybz) | Crystal structure of the D116N mutant of the light-driven sodium pump KR2 in the pentameric form, pH 8.0 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, RETINAL, ... | Authors: | Kovalev, K, Gushchin, I, Gordeliy, V. | Deposit date: | 2020-03-18 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Molecular mechanism of light-driven sodium pumping. Nat Commun, 11, 2020
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7PRL
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![BU of 7prl by Molmil](/molmil-images/mine/7prl) | MUC2 D1 with Cu(II) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, GLYCEROL, ... | Authors: | Reznik, N, Fass, D. | Deposit date: | 2021-09-22 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Intestinal mucin is a chaperone of multivalent copper. Cell, 185, 2022
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8QLF
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![BU of 8qlf by Molmil](/molmil-images/mine/8qlf) | Crystal structure of the light-driven sodium pump ErNaR in the monomeric form at pH 8.8 | Descriptor: | Bacteriorhodopsin-like protein, EICOSANE, OLEIC ACID | Authors: | Kovalev, K, Podoliak, E, Lamm, G.H.U, Astashkin, R, Bourenkov, G. | Deposit date: | 2023-09-19 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | A subgroup of light-driven sodium pumps with an additional Schiff base counterion. Nat Commun, 15, 2024
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8QQZ
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![BU of 8qqz by Molmil](/molmil-images/mine/8qqz) | Cryo-EM structure of the light-driven sodium pump ErNaR in the pentameric form at pH 8.0 | Descriptor: | Bacteriorhodopsin-like protein, DODECYL-BETA-D-MALTOSIDE, EICOSANE | Authors: | Kovalev, K, Podoliak, E, Lamm, G.H.U, Marin, E, Stetsenko, A, Guskov, A. | Deposit date: | 2023-10-06 | Release date: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.63 Å) | Cite: | A subgroup of light-driven sodium pumps with an additional Schiff base counterion. Nat Commun, 15, 2024
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6YT4
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![BU of 6yt4 by Molmil](/molmil-images/mine/6yt4) | Crystal structure of the N112A mutant of the light-driven sodium pump KR2 in the pentameric form, pH 8.0 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, OLEIC ACID, ... | Authors: | Kovalev, K, Maliar, N, Astashkin, R, Gordeliy, V. | Deposit date: | 2020-04-23 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of the N112A Mutant of the Light-Driven Sodium Pump KR2 Crystals, 2020
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3O4Z
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![BU of 3o4z by Molmil](/molmil-images/mine/3o4z) | |
3GED
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![BU of 3ged by Molmil](/molmil-images/mine/3ged) | Fingerprint and Structural Analysis of a Apo SCOR enzyme from Clostridium thermocellum | Descriptor: | GLYCEROL, SODIUM ION, Short-chain dehydrogenase/reductase SDR, ... | Authors: | Huether, R, Liu, Z.J, Xu, H, Wang, B.C, Pletnev, V, Mao, Q, Umland, T, Duax, W. | Deposit date: | 2009-02-25 | Release date: | 2009-03-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Sequence fingerprint and structural analysis of the SCOR enzyme A3DFK9 from Clostridium thermocellum. Proteins, 78, 2010
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2JOW
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![BU of 2jow by Molmil](/molmil-images/mine/2jow) | Differences in the electrostatic surfaces of the type III secretion needle proteins | Descriptor: | Protein prgI | Authors: | Wang, Y, Ouellette, A.N, Egan, C.W, De Guzman, R.N. | Deposit date: | 2007-04-06 | Release date: | 2007-07-24 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Differences in the Electrostatic Surfaces of the Type III Secretion Needle Proteins PrgI, BsaL, and MxiH J.Mol.Biol., 371, 2007
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2JX9
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2JXA
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![BU of 2jxa by Molmil](/molmil-images/mine/2jxa) | |
5BXL
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![BU of 5bxl by Molmil](/molmil-images/mine/5bxl) | Yeast 20S proteasome beta2-G170A mutant | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2015-06-09 | Release date: | 2016-06-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Defective immuno- and thymoproteasome assembly causes severe immunodeficiency. Sci Rep, 8, 2018
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3PE6
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5BXN
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![BU of 5bxn by Molmil](/molmil-images/mine/5bxn) | Yeast 20S proteasome beta2-G170A mutant in complex with Bortezomib | Descriptor: | CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2015-06-09 | Release date: | 2016-06-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Defective immuno- and thymoproteasome assembly causes severe immunodeficiency. Sci Rep, 8, 2018
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3GEG
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![BU of 3geg by Molmil](/molmil-images/mine/3geg) | Fingerprint and Structural Analysis of a SCOR enzyme with its bound cofactor from Clostridium thermocellum | Descriptor: | GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ... | Authors: | Huether, R, Liu, Z.J, Xu, H, Wang, B.C, Pletnev, V, Mao, Q, Umland, T, Duax, W. | Deposit date: | 2009-02-25 | Release date: | 2009-03-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Sequence fingerprint and structural analysis of the SCOR enzyme A3DFK9 from Clostridium thermocellum. Proteins, 78, 2010
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5ARG
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![BU of 5arg by Molmil](/molmil-images/mine/5arg) | SMYD2 in complex with SGC probe BAY-598 | Descriptor: | GLYCEROL, N-LYSINE METHYLTRANSFERASE SMYD2, N-[1-(N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL)-3-(3,4-DICHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE, ... | Authors: | Hillig, R.C, Badock, V, Barak, N, Stellfeld, T, Eggert, E, ter Laak, A, Weiske, J, Christ, C.D, Koehr, S, Stoeckigt, D, Mowat, J, Mueller, T, Fernandez-Montalvan, A.E, Hartung, I.V, Stresemann, C, Brumby, T, Weinmann, H. | Deposit date: | 2015-09-24 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2. J.Med.Chem., 59, 2016
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3V5Q
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![BU of 3v5q by Molmil](/molmil-images/mine/3v5q) | Discovery of a selective TRK Inhibitor with efficacy in rodent cancer tumor models | Descriptor: | 1-(3-{[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indol-6-yl]amino}phenyl)-3-[3-(trifluoromethyl)phenyl]urea, CHLORIDE ION, NT-3 growth factor receptor | Authors: | Kreusch, A. | Deposit date: | 2011-12-16 | Release date: | 2012-02-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2001 Å) | Cite: | Discovery of GNF-5837, a Selective TRK Inhibitor with Efficacy in Rodent Cancer Tumor Models. ACS Med Chem Lett, 3, 2012
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4Z55
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5ARF
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![BU of 5arf by Molmil](/molmil-images/mine/5arf) | SMYD2 in complex with small molecule inhibitor compound-2 | Descriptor: | N-LYSINE METHYLTRANSFERASE SMYD2, N-[3-(4-CHLOROPHENYL)-1-{N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL}-4,5-DIHYDRO-1H- PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE, S-ADENOSYLMETHIONINE, ... | Authors: | Hillig, R.C, Badock, V, Barak, N, Stellfeld, T, Eggert, E, ter Laak, A, Weiske, J, Christ, C.D, Koehr, S, Stoeckigt, D, Mowat, J, Mueller, T, Fernandez-Montalvan, A.E, Hartung, I.V, Stresemann, C, Brumby, T, Weinmann, H. | Deposit date: | 2015-09-24 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2. J.Med.Chem., 59, 2016
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2HHN
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![BU of 2hhn by Molmil](/molmil-images/mine/2hhn) | Cathepsin S in complex with non covalent arylaminoethyl amide. | Descriptor: | Cathepsin S, N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE, SULFATE ION | Authors: | Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S, Kulathila, R, Clark, K. | Deposit date: | 2006-06-28 | Release date: | 2007-05-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers Bioorg.Med.Chem.Lett., 16, 2006
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5WJQ
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![BU of 5wjq by Molmil](/molmil-images/mine/5wjq) | mouseZFP568-ZnF2-11 in complex with DNA | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (28-MER), ZINC ION, ... | Authors: | Patel, A, Cheng, X. | Deposit date: | 2017-07-24 | Release date: | 2018-03-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.794 Å) | Cite: | DNA Conformation Induces Adaptable Binding by Tandem Zinc Finger Proteins. Cell, 173, 2018
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6RBF
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![BU of 6rbf by Molmil](/molmil-images/mine/6rbf) | Mucin 2 D3 domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | Authors: | Javitt, G, Fass, D. | Deposit date: | 2019-04-10 | Release date: | 2019-08-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.704 Å) | Cite: | Intestinal Gel-Forming Mucins Polymerize by Disulfide-Mediated Dimerization of D3 Domains. J.Mol.Biol., 431, 2019
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5ZV3
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6RF5
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![BU of 6rf5 by Molmil](/molmil-images/mine/6rf5) | Crystal structure of the light-driven sodium pump KR2 in the monomeric form, pH 6.0 | Descriptor: | EICOSANE, GLYCEROL, RETINAL, ... | Authors: | Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V. | Deposit date: | 2019-04-12 | Release date: | 2019-04-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and mechanisms of sodium-pumping KR2 rhodopsin. Sci Adv, 5, 2019
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6RF6
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![BU of 6rf6 by Molmil](/molmil-images/mine/6rf6) | Crystal structure of the light-driven sodium pump KR2 in the monomeric form, pH 8.0 | Descriptor: | EICOSANE, RETINAL, SODIUM ION, ... | Authors: | Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V. | Deposit date: | 2019-04-12 | Release date: | 2019-04-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure and mechanisms of sodium-pumping KR2 rhodopsin. Sci Adv, 5, 2019
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