7N0L
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2N2U
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![BU of 2n2u by Molmil](/molmil-images/mine/2n2u) | Solution NMR Structure of DE NOVO DESIGNED Ferredoxin Fold PROTEIN sfr3, Northeast Structural Genomics Consortium (NESG) Target OR358 | Descriptor: | OR358 | Authors: | Liu, G, Lin, Y, Koga, N, Koga, R, Xiao, R, Janjua, H, Hamilton, K, Pederson, K, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2015-05-14 | Release date: | 2015-09-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of DE NOVO DESIGNED Ferredoxin Fold PROTEIN sfr3, Northeast Structural Genomics Consortium (NESG) Target OR358 To be Published
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7N0K
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6XKG
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![BU of 6xkg by Molmil](/molmil-images/mine/6xkg) | Crystal structure of 3-O-Sulfotransferase isoform 3 in complex with 8mer oligosaccharide with 6S sulfation | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, ... | Authors: | Pedersen, L.C, Liu, J, Wander, R. | Deposit date: | 2020-06-26 | Release date: | 2021-06-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Deciphering the substrate recognition mechanisms of the heparan sulfate 3- O -sulfotransferase-3. Rsc Chem Biol, 2, 2021
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7NA6
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![BU of 7na6 by Molmil](/molmil-images/mine/7na6) | Cryo-EM structure of AAV True Type | Descriptor: | Capsid protein VP1 | Authors: | Bennett, A.D, McKenna, R. | Deposit date: | 2021-06-19 | Release date: | 2021-09-29 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | Comparative structural, biophysical, and receptor binding study of true type and wild type AAV2. J.Struct.Biol., 213, 2021
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5LF6
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![BU of 5lf6 by Molmil](/molmil-images/mine/5lf6) | Human 20S proteasome complex with Z-LLY-ketoaldehyde at 2.1 Angstrom | Descriptor: | CHLORIDE ION, LLY-ketoaldehyde peptide, MAGNESIUM ION, ... | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | Deposit date: | 2016-06-30 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design. Science, 353, 2016
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6XL8
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![BU of 6xl8 by Molmil](/molmil-images/mine/6xl8) | Crystal structure of 3-O-Sulfotransferase isoform 3 in complex with 8mer oligosaccharide with no 6S sulfation | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Heparan sulfate glucosamine 3-O-sulfotransferase 3A1, IODIDE ION, ... | Authors: | Pedersen, L.C, Liu, J, Wander, R. | Deposit date: | 2020-06-28 | Release date: | 2021-06-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Deciphering the substrate recognition mechanisms of the heparan sulfate 3- O -sulfotransferase-3. Rsc Chem Biol, 2, 2021
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5XQR
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![BU of 5xqr by Molmil](/molmil-images/mine/5xqr) | Crystal structure of Notched-fin eelpout type III antifreeze protein A20V mutant (NFE6, AFP), C2221 form | Descriptor: | ACETATE ION, Ice-structuring protein | Authors: | Adachi, M, Shimizu, R, Shibazaki, C, Kondo, H, Tsuda, S. | Deposit date: | 2017-06-07 | Release date: | 2018-05-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Polypentagonal ice-like water networks emerge solely in an activity-improved variant of ice-binding protein Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5XH7
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![BU of 5xh7 by Molmil](/molmil-images/mine/5xh7) | Crystal structure of the Acidaminococcus sp. BV3L6 Cpf1 RR variant in complex with crRNA and target DNA (TCCA PAM) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, CRISPR-associated endonuclease Cpf1, ... | Authors: | Nishimasu, H, Yamano, T, Ishitani, R, Nureki, O. | Deposit date: | 2017-04-19 | Release date: | 2017-06-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for the Altered PAM Recognition by Engineered CRISPR-Cpf1 Mol. Cell, 67, 2017
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5XKO
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7NBA
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![BU of 7nba by Molmil](/molmil-images/mine/7nba) | Plasmodium falciparum kinesin-5 motor domain bound to AMPPNP, complexed with 14 protofilament microtubule. | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Kinesin motor domain-containing protein,Kinesin motor domain-containing protein, MAGNESIUM ION, ... | Authors: | Cook, A.D, Roberts, A, Atherton, J, Tewari, R, Topf, M, Moores, C.A. | Deposit date: | 2021-01-25 | Release date: | 2021-10-13 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Cryo-EM structure of a microtubule-bound parasite kinesin motor and implications for its mechanism and inhibition. J.Biol.Chem., 297, 2021
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6XN8
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![BU of 6xn8 by Molmil](/molmil-images/mine/6xn8) | Crystal Structure of 2-hydroxyacyl CoA lyase (HACL) from Rhodospirillales bacterium URHD0017 | Descriptor: | 2-hydroxyacyl-CoA lyase 1, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Miller, M.D, Xu, W, Olmos Jr, J.L, Chou, A, Clomburg, J.M, Gonzalez, R, Philips Jr, G.N. | Deposit date: | 2020-07-02 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of 2-hydroxyacyl CoA lyase (HACL) from Rhodospirillales bacterium URHD0017 To Be Published
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6RPB
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![BU of 6rpb by Molmil](/molmil-images/mine/6rpb) | Crystal structure of the T-cell receptor NYE_S1 bound to HLA A2*01-SLLMWITQV | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | Authors: | Coles, C.H, Mulvaney, R, Malla, S, Lloyd, A, Smith, K, Chester, F, Knox, A, Stacey, A.R, Dukes, J, Baston, E, Griffin, S, Vuidepot, A, Jakobsen, B.K, Harper, S. | Deposit date: | 2019-05-14 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | TCRs with Distinct Specificity Profiles Use Different Binding Modes to Engage an Identical Peptide-HLA Complex. J Immunol., 204, 2020
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5LEY
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![BU of 5ley by Molmil](/molmil-images/mine/5ley) | Human 20S proteasome complex with Oprozomib at 1.9 Angstrom | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | Deposit date: | 2016-06-30 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design. Science, 353, 2016
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7NB8
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![BU of 7nb8 by Molmil](/molmil-images/mine/7nb8) | Plasmodium falciparum kinesin-5 motor domain without nucleotide, complexed with 14 protofilament microtubule. | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Kinesin-5, MAGNESIUM ION, ... | Authors: | Cook, A.D, Roberts, A, Atherton, J, Tewari, R, Topf, M, Moores, C.A. | Deposit date: | 2021-01-25 | Release date: | 2021-10-13 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Cryo-EM structure of a microtubule-bound parasite kinesin motor and implications for its mechanism and inhibition. J.Biol.Chem., 297, 2021
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4LRG
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![BU of 4lrg by Molmil](/molmil-images/mine/4lrg) | Structure of BRD4 bromodomain 1 with a dimethyl thiophene isoxazole azepine carboxamide | Descriptor: | 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide, Bromodomain-containing protein 4 | Authors: | Ravichandran, S, Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S. | Deposit date: | 2013-07-19 | Release date: | 2013-08-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors. ACS Med Chem Lett, 4, 2013
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5XS8
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![BU of 5xs8 by Molmil](/molmil-images/mine/5xs8) | Crystal structure of solute-binding protein complexed with unsaturated chondroitin disaccharide with two sulfate groups at C-4 and C-6 positions of GalNAc | Descriptor: | 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4,6-di-O-sulfo-beta-D-galactopyranose, CALCIUM ION, Extracellular solute-binding protein family 1 | Authors: | Oiki, S, Kamochi, R, Mikami, B, Murata, K, Hashimoto, W. | Deposit date: | 2017-06-12 | Release date: | 2018-01-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.952 Å) | Cite: | Alternative substrate-bound conformation of bacterial solute-binding protein involved in the import of mammalian host glycosaminoglycans. Sci Rep, 7, 2017
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2N76
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![BU of 2n76 by Molmil](/molmil-images/mine/2n76) | Solution NMR Structure of De novo designed protein LFR1 1 with ferredoxin fold, Northeast Structural Genomics Consortium (NESG) Target OR414 | Descriptor: | De novo designed protein LFR1 | Authors: | Liu, G, Lin, Y, Koga, N, Koga, R, Xiao, R, Janjua, H, Pederson, K, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2015-09-03 | Release date: | 2016-01-27 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of De novo designed protein LFR1 1 with ferredoxin fold, Northeast Structural Genomics Consortium (NESG) Target OR414 To be Published
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5XCK
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![BU of 5xck by Molmil](/molmil-images/mine/5xck) | Crystal structure of Vps29 double mutant (D62A/H86A) from Entamoeba histolytica | Descriptor: | Vacuolar protein sorting-associated protein 29 | Authors: | Srivastava, V.K, Yadav, R, Tomar, P, Gourinath, S, Datta, S. | Deposit date: | 2017-03-22 | Release date: | 2017-10-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and thermodynamic characterization of metal binding in Vps29 from Entamoeba histolytica: implication in retromer function. Mol. Microbiol., 106, 2017
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5LHU
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![BU of 5lhu by Molmil](/molmil-images/mine/5lhu) | ATP Phosphoribosyltransferase from Mycobacterium tuberculosis in complex with the allosteric inhibitor L-Histidine | Descriptor: | ATP phosphoribosyltransferase, GLYCEROL, HISTIDINE, ... | Authors: | de Chiara, C, Pisco, J.P, de Carvalho, L.P, Smerdon, S.J, Walker, P.A, Ogrodowicz, R. | Deposit date: | 2016-07-12 | Release date: | 2017-06-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Uncoupling conformational states from activity in an allosteric enzyme. Nat Commun, 8, 2017
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5XFD
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2MTL
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![BU of 2mtl by Molmil](/molmil-images/mine/2mtl) | Solution NMR Structure of De novo designed FR55, Northeast Structural Genomics Consortium (NESG) Target OR109 | Descriptor: | De novo designed protein FR55 OR109 | Authors: | Liu, G, Koga, N, Koga, R, Xiao, R, Hamilton, K, Ciccosanti, C, Sahdev, S, Kohan, E, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2014-08-19 | Release date: | 2014-10-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of De novo designed FR55, Northeast Structural Genomics Consortium (NESG) Target OR109 To be Published
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6RP9
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![BU of 6rp9 by Molmil](/molmil-images/mine/6rp9) | Crystal structure of the T-cell receptor NYE_S3 bound to HLA A2*01-SLLMWITQV | Descriptor: | Beta-2-microglobulin, Cancer/testis antigen 1, HLA class I histocompatibility antigen, ... | Authors: | Coles, C.H, Mulvaney, R, Malla, S, Lloyd, A, Smith, K, Chester, F, Knox, A, Stacey, A.R, Dukes, J, Baston, E, Griffin, S, Vuidepot, A, Jakobsen, B.K, Harper, S. | Deposit date: | 2019-05-14 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | TCRs with Distinct Specificity Profiles Use Different Binding Modes to Engage an Identical Peptide-HLA Complex. J Immunol., 204, 2020
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5LF7
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![BU of 5lf7 by Molmil](/molmil-images/mine/5lf7) | Human 20S proteasome complex with Ixazomib at 2.0 Angstrom | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | Deposit date: | 2016-06-30 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design. Science, 353, 2016
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5XKP
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![BU of 5xkp by Molmil](/molmil-images/mine/5xkp) | Crystal structure of Msmeg3575 in complex with 5-azacytosine | Descriptor: | 6-amino-1,3,5-triazin-2(1H)-one, ACETATE ION, CMP/dCMP deaminase, ... | Authors: | Gaded, V.M, Anand, R. | Deposit date: | 2017-05-08 | Release date: | 2017-08-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Selective Deamination of Mutagens by a Mycobacterial Enzyme J. Am. Chem. Soc., 139, 2017
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