7A0V
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![BU of 7a0v by Molmil](/molmil-images/mine/7a0v) | Crystal structure of the 5-phosphatase domain of Synaptojanin1 in complex with a nanobody | Descriptor: | GLYCEROL, MAGNESIUM ION, Nanobody 13015, ... | Authors: | Paesmans, J, Galicia, C, Martin, E, Versees, W. | Deposit date: | 2020-08-11 | Release date: | 2020-12-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A structure of substrate-bound Synaptojanin1 provides new insights in its mechanism and the effect of disease mutations. Elife, 9, 2020
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3HM5
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![BU of 3hm5 by Molmil](/molmil-images/mine/3hm5) | SANT domain of human DNA methyltransferase 1 associated protein 1 | Descriptor: | CALCIUM ION, DNA methyltransferase 1-associated protein 1, UNKNOWN ATOM OR ION | Authors: | Dombrovski, L, Tempel, W, Amaya, M.F, Tong, Y, Ni, S, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Park, H, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-05-28 | Release date: | 2009-06-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | SANT domain of human DNA methyltransferase 1 associated protein 1 To be Published
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4YF2
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![BU of 4yf2 by Molmil](/molmil-images/mine/4yf2) | Crystal structure of mouse sperm C-type lysozyme-like protein 1 | Descriptor: | Sperm acrosome membrane-associated protein 3 | Authors: | Zheng, H, Mandal, A, Shumilin, I.A, Shabalin, I.G, Herr, J.C, Minor, W. | Deposit date: | 2015-02-24 | Release date: | 2015-03-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Sperm Lysozyme-Like Protein 1 (SLLP1), an intra-acrosomal oolemmal-binding sperm protein, reveals filamentous organization in protein crystal form. Andrology, 3, 2015
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2V10
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![BU of 2v10 by Molmil](/molmil-images/mine/2v10) | Crystal Structure of Renin with Inhibitor 9 | Descriptor: | (2R,4S,5S,7S)-5-AMINO-N-BUTYL-4-HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]-2,8-DIMETHYLNONANAMIDE, RENIN | Authors: | Rahuel, J, Rasetti, V, Maibaum, J, Rueger, H, Goschke, R, Cohen, N.C, Stutz, S, Cumin, F, Fuhrer, W, Wood, J.M, Grutter, M.G. | Deposit date: | 2007-05-21 | Release date: | 2007-07-03 | Last modified: | 2019-04-03 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin Chem.Biol., 7, 2000
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1VKC
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![BU of 1vkc by Molmil](/molmil-images/mine/1vkc) | Putative acetyl transferase from Pyrococcus furiosus | Descriptor: | IODIDE ION, putative acetyl transferase | Authors: | Habel, J.E, Liu, Z.-J, Tempel, W, Rose, J.P, Brereton, P.S, Izumi, M, Jenney Jr, F.E, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Richardson, D.C, Richardson, J.S, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-05-11 | Release date: | 2004-12-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Putative acetyl transferase from Pyrococcus furiosus To be published
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3HNX
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![BU of 3hnx by Molmil](/molmil-images/mine/3hnx) | |
3HM6
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![BU of 3hm6 by Molmil](/molmil-images/mine/3hm6) | Crystal structure of the cytoplasmic domain of human plexin B1 | Descriptor: | Plexin-B1, UNKNOWN ATOM OR ION, Unknown peptide | Authors: | Tong, Y, He, H, Shen, L, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-05-28 | Release date: | 2009-06-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.402 Å) | Cite: | Structure and function of the intracellular region of the plexin-b1 transmembrane receptor. J.Biol.Chem., 284, 2009
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6ZQU
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![BU of 6zqu by Molmil](/molmil-images/mine/6zqu) | Cryo-EM structure of mature Dengue virus 2 at 3.1 angstrom resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein | Authors: | Renner, M, Dejnirattisai, W, Carrique, L, Serna Martin, I, Karia, D, Ilca, S.L, Ho, S.F, Kotecha, A, Keown, J.R, Mongkolsapaya, J, Screaton, G.R, Grimes, J.M. | Deposit date: | 2020-07-10 | Release date: | 2021-01-20 | Last modified: | 2021-08-04 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Flavivirus maturation leads to the formation of an occupied lipid pocket in the surface glycoproteins. Nat Commun, 12, 2021
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4Y5S
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![BU of 4y5s by Molmil](/molmil-images/mine/4y5s) | Structure of FtmOx1 with a-Ketoglutarate as co-substrate | Descriptor: | 2-OXOGLUTARIC ACID, COBALT (II) ION, FE (II) ION, ... | Authors: | Yan, W, Zhang, Y. | Deposit date: | 2015-02-12 | Release date: | 2015-11-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.543 Å) | Cite: | Endoperoxide formation by an alpha-ketoglutarate-dependent mononuclear non-haem iron enzyme. Nature, 527, 2015
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3HPC
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2VAU
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![BU of 2vau by Molmil](/molmil-images/mine/2vau) | Isopenicillin N synthase with substrate analogue ACOMP (unexposed) | Descriptor: | FE (II) ION, ISOPENICILLIN N SYNTHETASE, N6^-[(1R)-2-[(1S)-1-CARBOXY-2-(METHYLSULFANYL)ETHOXY]-2-OXO-1-(SULFANYLMETHYL)ETHYL]-6-OXO-L-LYSINE | Authors: | Ge, W, Clifton, I.J, Adlington, R.M, Baldwin, J.E, Rutledge, P.J. | Deposit date: | 2007-09-04 | Release date: | 2008-07-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Isopenicillin N Synthase Mediates Thiolate Oxidation to Sulfenate in a Depsipeptide Substrate Analogue: Implications for Oxygen Binding and a Link to Nitrile Hydratase? J.Am.Chem.Soc., 130, 2008
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1DP8
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![BU of 1dp8 by Molmil](/molmil-images/mine/1dp8) | |
2VFW
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![BU of 2vfw by Molmil](/molmil-images/mine/2vfw) | Rv1086 native | Descriptor: | SHORT-CHAIN Z-ISOPRENYL DIPHOSPHATE SYNTHETASE, SULFATE ION | Authors: | Naismith, J.H, Wang, W, Dong, C. | Deposit date: | 2007-11-05 | Release date: | 2007-11-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The structural basis of chain length control in Rv1086. J. Mol. Biol., 381, 2008
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4YGJ
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![BU of 4ygj by Molmil](/molmil-images/mine/4ygj) | NaBr--Interactions between Hofmeister Anions and the Binding Pocket of a Protein | Descriptor: | BROMIDE ION, Carbonic anhydrase 2, ZINC ION | Authors: | Fox, J.M, Kang, K, Sherman, W, Heroux, A, Sastry, G.M, Baghbanzadeh, M, Lockett, M.R, Whitesides, G.M. | Deposit date: | 2015-02-26 | Release date: | 2015-03-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Interactions between Hofmeister Anions and the Binding Pocket of a Protein. J.Am.Chem.Soc., 137, 2015
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4YGN
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![BU of 4ygn by Molmil](/molmil-images/mine/4ygn) | NaI--Interactions between Hofmeister Anions and the Binding Pocket of a Protein | Descriptor: | Carbonic anhydrase 2, IODIDE ION, ZINC ION | Authors: | Fox, J.M, Kang, K, Sherman, W, Heroux, A, Sastry, G.M, Baghbanzadeh, M, Lockett, M.R, Whitesides, G.M. | Deposit date: | 2015-02-26 | Release date: | 2015-03-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Interactions between Hofmeister Anions and the Binding Pocket of a Protein. J.Am.Chem.Soc., 137, 2015
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3HVQ
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![BU of 3hvq by Molmil](/molmil-images/mine/3hvq) | Crystal structure of a complex between Protein Phosphatase 1 alpha (PP1) and the PP1 binding and PDZ domains of Neurabin | Descriptor: | GLYCEROL, MANGANESE (II) ION, Neurabin-1, ... | Authors: | Critton, D.A, Ragusa, M.J, Page, R, Peti, W. | Deposit date: | 2009-06-16 | Release date: | 2010-03-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Spinophilin directs protein phosphatase 1 specificity by blocking substrate binding sites. Nat.Struct.Mol.Biol., 17, 2010
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3HXG
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![BU of 3hxg by Molmil](/molmil-images/mine/3hxg) | Crystal structure of Schistsome eIF4E complexed with m7GpppA and 4E-BP | Descriptor: | Eukaryotic Translation Initiation Factor 4E, Eukaryotic translation initiation factor 4E-binding protein 1, P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE | Authors: | Liu, W, Zhao, R, Jones, D.N.M, Davis, R.E. | Deposit date: | 2009-06-20 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural insights into parasite EIF4E binding specificity for m7G and m2,2,7G mRNA cap. J.Biol.Chem., 284, 2009
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4YLW
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![BU of 4ylw by Molmil](/molmil-images/mine/4ylw) | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with No.33 compound | Descriptor: | Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ... | Authors: | Wu, D, Ouyang, P, Lu, W, Huang, J. | Deposit date: | 2015-03-06 | Release date: | 2016-03-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with No.33 compound To Be Published
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2V0G
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![BU of 2v0g by Molmil](/molmil-images/mine/2v0g) | LEUCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH A tRNA(leu) transcript with 5-FLUORO-1,3-DIHYDRO-1-HYDROXY-2,1- BENZOXABOROLE (AN2690) forming an adduct to the ribose of adenosine- 76 in the enzyme editing site. | Descriptor: | AMINOACYL-TRNA SYNTHETASE, LEUCINE, MERCURY (II) ION, ... | Authors: | Rock, F, Mao, W, Yaremchuk, A, Tukalo, M, Crepin, T, Zhou, H, Zhang, Y, Hernandez, V, Akama, T, Baker, S, Plattner, J, Shapiro, L, Martinis, S.A, Benkovic, S.J, Cusack, S, Alley, M.R.K. | Deposit date: | 2007-05-14 | Release date: | 2007-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | An Antifungal Agent Inhibits an Aminoacyl-tRNA Synthetase by Trapping tRNA in the Editing Site. Science, 316, 2007
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4YM6
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![BU of 4ym6 by Molmil](/molmil-images/mine/4ym6) | Crystal structure of the human nucleosome containing 6-4PP (outside) | Descriptor: | 145-MER DNA, Histone H2A type 1-B/E, Histone H2B type 1-J, ... | Authors: | Osakabe, A, Tachiwana, H, Kagawa, W, Horikoshi, N, Matsumoto, S, Hasegawa, M, Matsumoto, N, Toga, T, Yamamoto, J, Hanaoka, F, Thoma, N.H, Sugasawa, K, Iwai, S, Kurumizaka, H. | Deposit date: | 2015-03-06 | Release date: | 2015-12-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.514 Å) | Cite: | Structural basis of pyrimidine-pyrimidone (6-4) photoproduct recognition by UV-DDB in the nucleosome Sci Rep, 5, 2015
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3HXE
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![BU of 3hxe by Molmil](/molmil-images/mine/3hxe) | Engineered RabGGTase in complex with a peptidomimetic inhibitor (compound 37) | Descriptor: | CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, Geranylgeranyl transferase type-2 subunit beta, ... | Authors: | Guo, Z, Alexandrov, K, Waldmann, H, Goody, R.S, Blankenfeldt, W. | Deposit date: | 2009-06-20 | Release date: | 2009-09-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design, synthesis, and characterization of Peptide-based rab geranylgeranyl transferase inhibitors J.Med.Chem., 52, 2009
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1W72
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![BU of 1w72 by Molmil](/molmil-images/mine/1w72) | Crystal structure of HLA-A1:MAGE-A1 in complex with Fab-Hyb3 | Descriptor: | BETA-2-MICROGLOBULIN, GLYCEROL, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | Authors: | Hulsmeyer, M, Chames, P, Hillig, R.C, Stanfield, R.L, Held, G, Coulie, P.G, Alings, C, Wille, G, Saenger, W, Uchanska-Ziegler, B, Hoogenboom, H.R, Ziegler, A. | Deposit date: | 2004-08-27 | Release date: | 2004-11-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A Major Histocompatibility Complex.Peptide- Restricted Antibody and T Cell Receptor Molecules Recognize Their Target by Distinct Binding Modes: Crystal Structure of Human Leukocyte Antigen (Hla)-A1.Mage-A1 in Complex with Fab-Hyb3 J.Biol.Chem., 280, 2005
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7BZ0
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![BU of 7bz0 by Molmil](/molmil-images/mine/7bz0) | complex structure of alginate lyase AlyF-OU02 with G6 | Descriptor: | Alginate lyase AlyF-OU02, CALCIUM ION, alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid | Authors: | Liu, W, Lyu, Q, Zhang, K. | Deposit date: | 2020-04-26 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights into the substrate-binding cleft of AlyF reveal the first long-chain alginate-binding mode. Acta Crystallogr D Struct Biol, 77, 2021
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4WKT
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![BU of 4wkt by Molmil](/molmil-images/mine/4wkt) | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ | Descriptor: | 1-BUTANE BORONIC ACID, Acyl-homoserine lactone acylase PvdQ, GLYCEROL | Authors: | Wu, R, Clevenger, K.D, Fast, W, Liu, D. | Deposit date: | 2014-10-03 | Release date: | 2014-11-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.782 Å) | Cite: | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ. Biochemistry, 53, 2014
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3I2E
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![BU of 3i2e by Molmil](/molmil-images/mine/3i2e) | Crystal structure of human dimethylarginine dymethylaminohydrolase-1 (DDAH-1) | Descriptor: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | Authors: | Monzingo, A.F, Wang, Y, Hu, S, Schaller, T.H, Robertus, J.D, Fast, W. | Deposit date: | 2009-06-29 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Developing dual and specific inhibitors of dimethylarginine dimethylaminohydrolase-1 and nitric oxide synthase: toward a targeted polypharmacology to control nitric oxide. Biochemistry, 48, 2009
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