6RPC
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![BU of 6rpc by Molmil](/molmil-images/mine/6rpc) | GOLGI ALPHA-MANNOSIDASE II | Descriptor: | 1,2-ETHANEDIOL, Alpha-mannosidase 2, SUCCINIC ACID, ... | Authors: | Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, Debets, M, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2019-05-14 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors. J.Am.Chem.Soc., 142, 2020
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5FLZ
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![BU of 5flz by Molmil](/molmil-images/mine/5flz) | Cryo-EM structure of gamma-TuSC oligomers in a closed conformation | Descriptor: | SPINDLE POLE BODY COMPONENT 110, SPINDLE POLE BODY COMPONENT SPC97, SPINDLE POLE BODY COMPONENT SPC98, ... | Authors: | Greenberg, C.H, Kollman, J, Zelter, A, Johnson, R, MacCoss, M.J, Davis, T.N, Agard, D.A, Sali, A. | Deposit date: | 2015-10-29 | Release date: | 2016-01-13 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (6.9 Å) | Cite: | Structure of Gamma-Tubulin Small Complex Based on a Cryo-Em Map, Chemical Cross-Links, and a Remotely Related Structure. J.Struct.Biol., 194, 2016
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6RUQ
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![BU of 6ruq by Molmil](/molmil-images/mine/6ruq) | Structure of GluA2cryst in complex the antagonist ZK200775 and the negative allosteric modulator GYKI53655 at 4.65 A resolution | Descriptor: | (8R)-5-(4-aminophenyl)-N,8-dimethyl-8,9-dihydro-2H,7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide, Glutamate receptor 2, beta-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Krintel, C, Venskutonyte, R, Mirza, O.A, Gajhede, M, Kastrup, J.S. | Deposit date: | 2019-05-28 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (4.65 Å) | Cite: | Binding of a negative allosteric modulator and competitive antagonist can occur simultaneously at the ionotropic glutamate receptor GluA2. Febs J., 288, 2021
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5FZ8
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![BU of 5fz8 by Molmil](/molmil-images/mine/5fz8) | Crystal structure of the catalytic domain of human JARID1B in complex with malate | Descriptor: | (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | Deposit date: | 2016-03-11 | Release date: | 2017-03-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Malate To be Published
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5FPZ
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![BU of 5fpz by Molmil](/molmil-images/mine/5fpz) | The structure of KdgF from Yersinia enterocolitica with malonate bound in the active site. | Descriptor: | MALONIC ACID, NICKEL (II) ION, PECTIN DEGRADATION PROTEIN | Authors: | Hobbs, J.K, Lee, S.M, Robb, M, Hof, F, Barr, C, Abe, K.T, Hehemann, J.H, McLean, R, Abbott, D.W, Boraston, A.B. | Deposit date: | 2015-12-03 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Kdgf, the Missing Link in the Microbial Metabolism of Uronate Sugars from Pectin and Alginate. Proc.Natl.Acad.Sci.USA, 113, 2016
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6RZF
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![BU of 6rzf by Molmil](/molmil-images/mine/6rzf) | Galectin-3C in complex with ortho-fluoroaryltriazole galactopyranosyl 1-thio-D-glucopyranoside derivative | Descriptor: | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-06-13 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.016 Å) | Cite: | Entropy-Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C. Jacs Au, 1, 2021
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6RZK
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![BU of 6rzk by Molmil](/molmil-images/mine/6rzk) | Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:3(Chlorine) | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-chlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, CHLORIDE ION, Galectin-3 | Authors: | Kumar, R, Verteramo, M.L, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-06-13 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.046 Å) | Cite: | Thermodynamic studies of halogen-bond interactions in galectin-3 to be published
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5HEB
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![BU of 5heb by Molmil](/molmil-images/mine/5heb) | The third PDZ domain from the synaptic protein PSD-95 in complex with a C-terminal peptide derived from CRIPT | Descriptor: | Cysteine-rich PDZ-binding protein, Disks large homolog 4, GLYCEROL | Authors: | White, K.I, Raman, A.S, Ranganathan, R. | Deposit date: | 2016-01-05 | Release date: | 2016-11-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Origins of Allostery and Evolvability in Proteins: A Case Study. Cell(Cambridge,Mass.), 166, 2016
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5HEJ
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5HFM
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![BU of 5hfm by Molmil](/molmil-images/mine/5hfm) | Gp41-targeting HIV-1 fusion inhibitors with hook-like Ile-Asp-Leu tail | Descriptor: | Envelope glycoprotein gp160,gp41 CHR region, TRIS(HYDROXYETHYL)AMINOMETHANE | Authors: | Zhu, Y, Ye, S, Zhang, R. | Deposit date: | 2016-01-07 | Release date: | 2017-01-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.298 Å) | Cite: | Rational improvement of gp41-targeting HIV-1 fusion inhibitors: an innovatively designed Ile-Asp-Leu tail with alternative conformations Sci Rep, 6, 2016
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6RXJ
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![BU of 6rxj by Molmil](/molmil-images/mine/6rxj) | Crystal structure of CobB wt in complex with H4K16-Acetyl peptide | Descriptor: | Histone H4, NAD-dependent protein deacylase, ZINC ION | Authors: | Spinck, M, Gasper, R, Neumann, H. | Deposit date: | 2019-06-08 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Evolved, Selective Erasers of Distinct Lysine Acylations. Angew.Chem.Int.Ed.Engl., 59, 2020
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3AAY
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![BU of 3aay by Molmil](/molmil-images/mine/3aay) | Crystal structure of probable thiosulfate sulfurtransferase CYSA3 (RV3117) from Mycobacterium tuberculosis: orthorhombic form | Descriptor: | GLYCEROL, Putative thiosulfate sulfurtransferase, SULFATE ION | Authors: | Sankaranarayanan, R, Witholt, S.J, Cherney, M.M, Garen, C.R, Cherney, L.T, James, M.N.G, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2009-11-28 | Release date: | 2009-12-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structure of probable thiosulfate sulfurtransferase CysA3 (Rv3117) from Mycobacterium tuberculosis To be Published
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6RXL
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![BU of 6rxl by Molmil](/molmil-images/mine/6rxl) | Crystal structure of CobB wt in complex with H4K16-Crotonyl peptide | Descriptor: | Histone H4, NAD-dependent protein deacylase, ZINC ION | Authors: | Spinck, M, Gasper, R, Neumann, H. | Deposit date: | 2019-06-08 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Evolved, Selective Erasers of Distinct Lysine Acylations. Angew.Chem.Int.Ed.Engl., 59, 2020
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6RXR
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![BU of 6rxr by Molmil](/molmil-images/mine/6rxr) | Crystal structure of CobB Ac2 (A76G, I131C, V162G) in complex with H4K16Cr-2'OH-ADPr peptide intermediate after co-crystallisation | Descriptor: | Histone H4, NAD-dependent protein deacylase, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{S})-4-[(~{E})-but-2-enoxy]-3,5-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Authors: | Spinck, M, Gasper, R, Neumann, H. | Deposit date: | 2019-06-08 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Evolved, Selective Erasers of Distinct Lysine Acylations. Angew.Chem.Int.Ed.Engl., 59, 2020
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5H8X
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![BU of 5h8x by Molmil](/molmil-images/mine/5h8x) | Crystal structure of the complex MMP-8/BF471 (catechol inhibitor) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Neutrophil collagenase, ... | Authors: | Pochetti, G, Montanari, R, Capelli, D, Tortorella, P. | Deposit date: | 2015-12-24 | Release date: | 2016-11-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Catechol-based matrix metalloproteinase inhibitors with additional antioxidative activity. J Enzyme Inhib Med Chem, 31, 2016
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3AHC
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![BU of 3ahc by Molmil](/molmil-images/mine/3ahc) | Resting form of Phosphoketolase from Bifidobacterium Breve | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, NONAETHYLENE GLYCOL, ... | Authors: | Suzuki, R, Katayama, T, Kim, B.-J, Wakagi, T, Shoun, H, Ashida, H, Yamamoto, K, Fushinobu, S. | Deposit date: | 2010-04-22 | Release date: | 2010-08-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structures of phosphoketolase: thiamine diphosphate-dependent dehydration mechanism J.Biol.Chem., 285, 2010
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6RXP
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![BU of 6rxp by Molmil](/molmil-images/mine/6rxp) | Crystal structure of CobB Ac2 (A76G,I131C,V162A) in complex with H4K16-Crotonyl peptide | Descriptor: | Histone H4, NAD-dependent protein deacylase, ZINC ION | Authors: | Spinck, M, Gasper, R, Neumann, H. | Deposit date: | 2019-06-08 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Evolved, Selective Erasers of Distinct Lysine Acylations. Angew.Chem.Int.Ed.Engl., 59, 2020
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6RZL
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![BU of 6rzl by Molmil](/molmil-images/mine/6rzl) | Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:4(Bromine) | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-bromophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3, THIOCYANATE ION | Authors: | Kumar, R, Verteramo, M.L, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-06-13 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.045 Å) | Cite: | Thermodynamic studies of halogen-bond interactions in galectin-3 to be published
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6RZW
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![BU of 6rzw by Molmil](/molmil-images/mine/6rzw) | Structure of s-Mgm1 decorating the inner surface of tubulated lipid membranes in the GTPgammaS bound state | Descriptor: | Putative mitochondrial dynamin protein | Authors: | Faelber, K, Dietrich, L, Noel, J.K, Sanchez, R, Kudryashev, M, Kuelbrandt, W, Daumke, O. | Deposit date: | 2019-06-13 | Release date: | 2019-07-24 | Last modified: | 2020-11-18 | Method: | ELECTRON MICROSCOPY (18.799999 Å) | Cite: | Structure and assembly of the mitochondrial membrane remodelling GTPase Mgm1. Nature, 571, 2019
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5HEY
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![BU of 5hey by Molmil](/molmil-images/mine/5hey) | |
5HF4
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![BU of 5hf4 by Molmil](/molmil-images/mine/5hf4) | |
6RJY
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![BU of 6rjy by Molmil](/molmil-images/mine/6rjy) | The crystal structure of AbnE, an arabino-oligosaccharide binding protein, in complex with arabinobiose | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Arabino-oligosaccharids-binding protein, CALCIUM ION, ... | Authors: | Lansky, S, Salama, R, Shoham, Y, Shoham, G. | Deposit date: | 2019-04-29 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.621 Å) | Cite: | Carbohydrate-Binding Capability and Functional Conformational Changes of AbnE, an Arabino-oligosaccharide Binding Protein. J.Mol.Biol., 432, 2020
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5HFL
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![BU of 5hfl by Molmil](/molmil-images/mine/5hfl) | |
5H6N
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![BU of 5h6n by Molmil](/molmil-images/mine/5h6n) | DNA targeting ADP-ribosyltransferase Pierisin-1, autoinhibitory form | Descriptor: | Pierisin-1 | Authors: | Oda, T, Hirabayashi, H, Shikauchi, G, Takamura, R, Hiraga, K, Minami, H, Hashimoto, H, Yamamoto, M, Wakabayashi, K, Sugimura, T, Shimizu, T, Sato, M. | Deposit date: | 2016-11-14 | Release date: | 2017-08-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of autoinhibition and activation of the DNA-targeting ADP-ribosyltransferase pierisin-1 J. Biol. Chem., 292, 2017
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6RKL
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![BU of 6rkl by Molmil](/molmil-images/mine/6rkl) | The crystal structure of AbnE, an arabino-oligosaccharide binding protein, in complex with arabinoheptaose | Descriptor: | Arabino-oligosaccharids-binding protein, CALCIUM ION, GLYCEROL, ... | Authors: | Lansky, S, Salama, R, Shoham, Y, Shoham, G. | Deposit date: | 2019-04-30 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Carbohydrate-Binding Capability and Functional Conformational Changes of AbnE, an Arabino-oligosaccharide Binding Protein. J.Mol.Biol., 432, 2020
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