6ODA
 
 | | Crystal structure of HDAC8 in complex with compound 2 | | Descriptor: | Histone deacetylase 8, N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide, POTASSIUM ION, ... | | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | | Deposit date: | 2019-03-26 | | Release date: | 2020-04-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
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1JF4
 | | Crystal Structure Of Component IV Glycera Dibranchiata Monomeric Hemoglobin | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, monomer hemoglobin component IV | | Authors: | Park, H.J, Yang, C, Treff, N, Satterlee, J.D, Kang, C.H. | | Deposit date: | 2001-06-20 | | Release date: | 2002-06-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal Structures of Unligated and CN-Ligated Glycera dibranchiata Monomer
Ferric Hemoglobin Components III and IV
Proteins, 49, 2002
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6NKG
 | | Crystal Structure of the Lipase Lip_vut5 from Goat Rumen metagenome. | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Lip_vut5, ... | | Authors: | Kim, Y, Welk, L, Mukendi, G, Nkhi, G, Motloi, T, Jedrzejczak, R, Feto, N, Joachimiak, A. | | Deposit date: | 2019-01-07 | | Release date: | 2020-01-22 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal Structure of the Lipase Lip_vut5 from Goat Rumen metagenome.
To Be Published
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1JG3
 | | Crystal Structure of L-isoaspartyl (D-aspartyl) O-methyltransferase with adenosine & VYP(ISP)HA substrate | | Descriptor: | ADENOSINE, CHLORIDE ION, SODIUM ION, ... | | Authors: | Griffith, S.C, Sawaya, M.R, Boutz, D, Thapar, N, Katz, J, Clarke, S, Yeates, T.O. | | Deposit date: | 2001-06-22 | | Release date: | 2001-11-16 | | Last modified: | 2011-07-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of a protein repair methyltransferase from Pyrococcus furiosus with its L-isoaspartyl peptide substrate.
J.Mol.Biol., 313, 2001
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6O7I
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1JH5
 | | Crystal Structure of sTALL-1 of TNF family ligand | | Descriptor: | TUMOR NECROSIS FACTOR LIGAND SUPERFAMILY MEMBER 13B | | Authors: | Liu, Y, Xu, L, Opalka, N, Shu, H.-B, Zhang, G. | | Deposit date: | 2001-06-27 | | Release date: | 2002-02-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of sTALL-1 reveals a virus-like assembly of TNF family ligands.
Cell(Cambridge,Mass.), 108, 2002
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1K09
 | | Solution structure of BetaCore, A Designed Water Soluble Four-Stranded Antiparallel b-sheet Protein | | Descriptor: | (7E)-4,9-dioxo-6-oxa-3,7,10-triazadodec-7-ene-1,12-dioic acid, Core Module I, Core Module II | | Authors: | Carulla, N, Woodward, C, Barany, G. | | Deposit date: | 2001-09-18 | | Release date: | 2002-07-10 | | Last modified: | 2024-02-21 | | Method: | SOLUTION NMR | | Cite: | BetaCore, a designed water soluble four-stranded antiparallel beta-sheet protein.
Protein Sci., 11, 2002
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5HFN
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6N89
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7D5A
 | | Crystal Structure of BACE1 in complex with N-{3-[(9S)-7-amino-2,2-difluoro-9-(prop-1-yn-1-yl)-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide | | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | | Authors: | Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | | Deposit date: | 2020-09-25 | | Release date: | 2021-03-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2.
J.Med.Chem., 64, 2021
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7D2X
 | | Crystal Structure of BACE1 in complex with N-{3-[(4R)-2-amino-4-(prop-1-yn-1-yl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide | | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | | Authors: | Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | | Deposit date: | 2020-09-17 | | Release date: | 2021-03-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2.
J.Med.Chem., 64, 2021
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1XAB
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1XAA
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5HPH
 | | Structure of TRAP1 fragment | | Descriptor: | GLYCEROL, Heat shock protein 75 kDa, mitochondrial, ... | | Authors: | Sung, N, Chang, C, Lee, S, Tsai, F.T.F. | | Deposit date: | 2016-01-20 | | Release date: | 2016-08-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.429 Å) | | Cite: | 2.4 angstrom resolution crystal structure of human TRAP1NM, the Hsp90 paralog in the mitochondrial matrix.
Acta Crystallogr D Struct Biol, 72, 2016
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6N5V
 | | Crystal Structure of Strictosidine in complex with 1H-indole-4-ethanamine | | Descriptor: | 2-(1H-indol-4-yl)ethan-1-amine, Strictosidine synthase | | Authors: | Cai, Y, Shao, N, Xie, H, Futamura, Y, Panjikar, S, Liu, H, Zhu, H, Osada, H, Zou, H. | | Deposit date: | 2018-11-22 | | Release date: | 2019-11-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.549 Å) | | Cite: | Crystal Structure of Strictosidine in complex with 1H-indole-4-ethanamine
to be published
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1GR2
 | | STRUCTURE OF A GLUTAMATE RECEPTOR LIGAND BINDING CORE (GLUR2) COMPLEXED WITH KAINATE | | Descriptor: | 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, PROTEIN (GLUTAMATE RECEPTOR 2) | | Authors: | Armstrong, N, Sun, Y, Chen, G.Q, Gouaux, E. | | Deposit date: | 1998-09-17 | | Release date: | 1998-12-09 | | Last modified: | 2017-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of a glutamate-receptor ligand-binding core in complex with kainate.
Nature, 395, 1998
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1GW0
 | | Crystal Structure of Laccase from Melanocarpus albomyces in Four Copper Form | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Hakulinen, N, Kiiskinen, L.-L, Kruus, K, Saloheimo, M, Koivula, A, Rouvinen, J. | | Deposit date: | 2002-03-01 | | Release date: | 2002-07-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of a Laccase from Melanocarpus Albomyces with an Intact Trinuclear Copper Site
Nat.Struct.Biol., 9, 2002
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5HFU
 | | Crystal Structure of Human Hexokinase 2 with cmpd 27, a 2-amido-6-benzenesulfonamide glucosamine | | Descriptor: | Hexokinase-2, ~{N}-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-[[(4-cyanophenyl)sulfonylamino]methyl]-2,4,5-tris(oxidanyl)oxan-3-yl]-3-phenyl-benzamide | | Authors: | Campobasso, N, Zhao, B, Smallwood, A. | | Deposit date: | 2016-01-07 | | Release date: | 2016-03-30 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.923 Å) | | Cite: | Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
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6ODI
 | | Structure of CagY from a cryo-EM reconstruction of a T4SS | | Descriptor: | Type IV secretion system apparatus protein CagY | | Authors: | Chung, J.M, Sheedlo, M.J, Campbell, A, Sawhney, N, Frick-Cheng, A.E, Lacy, D.B, Cover, T.L, Ohi, M.D. | | Deposit date: | 2019-03-26 | | Release date: | 2019-07-03 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure of the Helicobacter pylori Cag type IV secretion system.
Elife, 8, 2019
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1H99
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6N87
 | | Plasmodium falciparum FVO apical membrane antigen 1 (AMA1) bound to MTSL spin-labelled cyclised RON2 peptide | | Descriptor: | Apical membrane antigen-1, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, backbone-cyclised peptide bcRON2hp | | Authors: | McGowan, S, Drinkwater, N. | | Deposit date: | 2018-11-28 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.588 Å) | | Cite: | Identification of the Binding Site of Apical Membrane Antigen 1 (AMA1) Inhibitors Using a Paramagnetic Probe.
ChemMedChem, 14, 2019
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5HWJ
 | | Crystal structure of keto-deoxy-D-galactarate dehydratase | | Descriptor: | FORMIC ACID, GLYCEROL, Probable 5-dehydro-4-deoxyglucarate dehydratase | | Authors: | Taberman, H, Parkkinen, T, Hakulinen, N, Rouvinen, J. | | Deposit date: | 2016-01-29 | | Release date: | 2016-03-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.648 Å) | | Cite: | Structure and function of a decarboxylating Agrobacterium tumefaciens keto-deoxy-d-galactarate dehydratase.
Biochemistry, 53, 2014
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6N8T
 | | Hsp104DWB closed conformation | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein 104 | | Authors: | Lee, S, Rho, S.H, Lee, J, Sung, N, Liu, J, Tsai, F.T.F. | | Deposit date: | 2018-11-30 | | Release date: | 2019-01-02 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (7.7 Å) | | Cite: | Cryo-EM Structures of the Hsp104 Protein Disaggregase Captured in the ATP Conformation.
Cell Rep, 26, 2019
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6NE3
 | | Cryo-EM structure of singly-bound SNF2h-nucleosome complex with SNF2h bound at SHL-2 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (156-MER), Histone H2A type 1, ... | | Authors: | Armache, J.-P, Gamarra, N, Johnson, S.L, Leonard, J.D, Wu, S, Narlikar, G.N, Cheng, Y. | | Deposit date: | 2018-12-16 | | Release date: | 2019-07-17 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Cryo-EM structures of remodeler-nucleosome intermediates suggest allosteric control through the nucleosome.
Elife, 8, 2019
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6O9A
 | | Crystal structure of MqnA complexed with 3-hydroxybenzoic acid | | Descriptor: | 3-HYDROXYBENZOIC ACID, ACETATE ION, Chorismate dehydratase | | Authors: | Hicks, K.A, Mahanta, N, Naseem, S, Fedoseyenko, D, Begley, T.P, Ealick, S.E. | | Deposit date: | 2019-03-13 | | Release date: | 2019-04-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.326 Å) | | Cite: | Menaquinone Biosynthesis: Biochemical and Structural Studies of Chorismate Dehydratase.
Biochemistry, 58, 2019
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