2GDR
 
 | | Crystal structure of a bacterial glutathione transferase | | Descriptor: | GLUTATHIONE, glutathione S-transferase | | Authors: | Tocheva, E.I, Fortin, P.D, Eltis, L.D, Murphy, M.E.P. | | Deposit date: | 2006-03-16 | | Release date: | 2006-08-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structures of Ternary Complexes of BphK, a Bacterial Glutathione S-Transferase That Reductively Dechlorinates Polychlorinated Biphenyl Metabolites.
J.Biol.Chem., 281, 2006
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6YWD
 | | De novo designed protein 4H_01 in complex with Mota antibody | | Descriptor: | Antibody Mota, Heavy Chain, Light Chain, ... | | Authors: | Yang, C, Sesterhenn, F, Pojer, F, Correia, B.E. | | Deposit date: | 2020-04-29 | | Release date: | 2020-10-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Bottom-up de novo design of functional proteins with complex structural features.
Nat.Chem.Biol., 17, 2021
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6YXT
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2GHC
 | | Conformational mobility in the active site of a heme peroxidase | | Descriptor: | NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ... | | Authors: | Badyal, S.K, Joyce, M.G, Sharp, K.H, Raven, E.L, Moody, P.C. | | Deposit date: | 2006-03-27 | | Release date: | 2006-06-13 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Conformational Mobility in the Active Site of a Heme Peroxidase.
J.Biol.Chem., 281, 2006
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5NCN
 | | Crystal structure Dbf2(NTR)-Mob1 complex | | Descriptor: | CHLORIDE ION, Cell cycle protein kinase DBF2, DBF2 kinase activator protein MOB1, ... | | Authors: | Gogl, G, Remenyi, A, Parker, B, Weiss, E. | | Deposit date: | 2017-03-06 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.501 Å) | | Cite: | Ndr/Lats Kinases Bind Specific Mob-Family Coactivators through a Conserved and Modular Interface.
Biochemistry, 2020
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6FT6
 | | Structure of the Nop53 pre-60S particle bound to the exosome nuclear cofactors | | Descriptor: | 25S ribosomal RNA, 5S ribosomal RNA, 60S ribosomal protein L11-A, ... | | Authors: | Schuller, J.M, Falk, S, Conti, E. | | Deposit date: | 2018-02-20 | | Release date: | 2018-03-28 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structure of the nuclear exosome captured on a maturing preribosome.
Science, 360, 2018
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2WC8
 | | S100A12 complex with zinc in the absence of calcium | | Descriptor: | CITRIC ACID, PROTEIN S100-A12, SODIUM ION, ... | | Authors: | Moroz, O.V, Blagova, E.V, Wilkinson, A.J, Wilson, K.S, Bronstein, I.B. | | Deposit date: | 2009-03-10 | | Release date: | 2009-06-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | The Crystal Structures of Human S100A12 in Apo Form and in Complex with Zinc: New Insights Into S100A12 Oligomerisation.
J.Mol.Biol., 391, 2009
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6QVO
 | | Crystal structure of human MTH1 in complex with N6-methyl-dAMP | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, N6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATE, ... | | Authors: | Scaletti, E, Vallin, K.S, Brautigam, L, Sarno, A, Warpman Berglund, U, Helleday, T, Stenmark, P, Jemth, A.S. | | Deposit date: | 2019-03-04 | | Release date: | 2020-03-18 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | MutT homologue 1 (MTH1) removes N6-methyl-dATP from the dNTP pool.
J.Biol.Chem., 295, 2020
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1KNJ
 | | Co-Crystal Structure of 2-C-methyl-D-erythritol 2,4-cyclodiphosphate Synthase (ispF) from E. coli Involved in Mevalonate-Independent Isoprenoid Biosynthesis, Complexed with CMP/MECDP/Mn2+ | | Descriptor: | 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE, 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, CYTIDINE-5'-MONOPHOSPHATE, ... | | Authors: | Richard, S.B, Ferrer, J.L, Bowman, M.E, Lillo, A.M, Tetzlaff, C.N, Cane, D.E, Noel, J.P. | | Deposit date: | 2001-12-18 | | Release date: | 2002-06-18 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure and mechanism of 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase. An enzyme in the mevalonate-independent isoprenoid biosynthetic pathway.
J.Biol.Chem., 277, 2002
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8D9P
 | | De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Mn(II) cations | | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Ennist, N.M, Stayrook, S.E, Dutton, P.L, Moser, C.C. | | Deposit date: | 2022-06-10 | | Release date: | 2022-09-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Rational design of photosynthetic reaction center protein maquettes.
Front Mol Biosci, 9, 2022
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6BWH
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1MJW
 | | STRUCTURE OF INORGANIC PYROPHOSPHATASE MUTANT D42N | | Descriptor: | INORGANIC PYROPHOSPHATASE, SULFATE ION | | Authors: | Oganesyan, V, Harutyunyan, E.H, Avaeva, S.M, Samygina, V.R, Huber, R. | | Deposit date: | 1997-02-08 | | Release date: | 1997-12-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Three-dimensional structures of mutant forms of E. coli inorganic pyrophosphatase with Asp-->Asn single substitution in positions 42, 65, 70, and 97.
Biochemistry Mosc., 63, 1998
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6G5L
 | | Crystal structure of human carbonic anhydrase isozyme XII with 4-chloro-2-(cyclohexylamino)-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide | | Descriptor: | 1,2-ETHANEDIOL, 4-chloranyl-2-(cyclohexylamino)-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide, Carbonic anhydrase 12, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2018-03-29 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Design of two-tail compounds with rotationally fixed benzenesulfonamide ring as inhibitors of carbonic anhydrases.
Eur J Med Chem, 156, 2018
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1CDL
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5TLG
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with (E)-4,4''-dihydroxy-3'-((hydroxyiminio)methyl)-[1,1':2',1''-terphenyl]-4'-olate | | Descriptor: | 2~3~-[(E)-(hydroxyimino)methyl][1~1~,2~1~:2~2~,3~1~-terphenyl]-1~4~,2~4~,3~4~-triol, Estrogen receptor, NUCLEAR RECEPTOR COACTIVATOR 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-11 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.228 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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7RSV
 | | Structure of the VPS34 kinase domain with compound 5 | | Descriptor: | (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3, ... | | Authors: | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | | Deposit date: | 2021-08-11 | | Release date: | 2021-11-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
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3JCX
 | | Canine Parvovirus complexed with Fab E | | Descriptor: | Capsid protein 2, Fab E heavy chain, Fab E light chain | | Authors: | Organtini, L.J, Iketani, S, Huang, K, Ashley, R.E, Makhov, A.M, Conway, J.F, Parrish, C.R, Hafenstein, S. | | Deposit date: | 2016-03-21 | | Release date: | 2016-07-20 | | Last modified: | 2018-07-18 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Near-Atomic Resolution Structure of a Highly Neutralizing Fab Bound to Canine Parvovirus.
J.Virol., 90, 2016
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5AJY
 | | Human PFKFB3 in complex with an indole inhibitor 4 | | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, N-(4-{[3-(1-methyl-1H-pyrazol-4-yl)-1H-indol-5-yl]oxy}phenyl)glycinamide, ... | | Authors: | Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J. | | Deposit date: | 2015-02-27 | | Release date: | 2015-04-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
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5ODV
 | | Structure of Watermelon mosaic virus potyvirus. | | Descriptor: | RNA (5'-R(P*UP*UP*UP*UP*U)-3'), coat protein | | Authors: | Zamora, M, Mendez-Lopez, E, Agirrezabala, X, Cuesta, R, Lavin, J.L, Sanchez-Pina, M.A, Aranda, M, Valle, M. | | Deposit date: | 2017-07-06 | | Release date: | 2017-09-27 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Potyvirus virion structure shows conserved protein fold and RNA binding site in ssRNA viruses.
Sci Adv, 3, 2017
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6FN2
 | | X-ray structure of animal-like Cryptochrome from Chlamydomonas reinhardtii | | Descriptor: | 8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)-5-DEAZAISOALLOXAZINE, CHLORIDE ION, Cryptochrome photoreceptor, ... | | Authors: | Franz, S, Ignatz, E, Wenzel, S, Zielosko, H, Yamamoto, J, Mittag, M, Essen, L.-O. | | Deposit date: | 2018-02-02 | | Release date: | 2018-08-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the bifunctional cryptochrome aCRY from Chlamydomonas reinhardtii.
Nucleic Acids Res., 46, 2018
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7USY
 | | Structure of C. elegans TMC-1 complex with ARRD-6 | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Jeong, H, Clark, S, Gouaux, E. | | Deposit date: | 2022-04-26 | | Release date: | 2022-10-19 | | Last modified: | 2023-08-09 | | Method: | ELECTRON MICROSCOPY (3.54 Å) | | Cite: | Structures of the TMC-1 complex illuminate mechanosensory transduction.
Nature, 610, 2022
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4YWL
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6Z68
 | | A novel metagenomic alpha/beta-fold esterase | | Descriptor: | Acetyl esterase/lipase, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | | Authors: | Bollinger, A, Thies, S, Hoeppner, A, Kobus, S, Jaeger, K.-E, Smits, S.H.J. | | Deposit date: | 2020-05-28 | | Release date: | 2020-12-30 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Crystal structures of a novel family IV esterase in free and substrate-bound form.
Febs J., 288, 2021
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6Z8W
 | | X-ray structure of the complex between human alpha thrombin and a thrombin binding aptamer variant (TBA-3G), which contains 1-beta-D-glucopyranosyl residue in the side chain of Thy3 at N3. | | Descriptor: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, POTASSIUM ION, Prothrombin, ... | | Authors: | Troisi, R, Timofeev, E.N, Sica, F. | | Deposit date: | 2020-06-02 | | Release date: | 2021-01-27 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Expanding the recognition interface of the thrombin-binding aptamer HD1 through modification of residues T3 and T12.
Mol Ther Nucleic Acids, 23, 2021
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3AUV
 | | Predicting Amino Acid Preferences in the Complementarity Determining Regions of an Antibody-Antigen Recognition Interface | | Descriptor: | sc-dsFv derived from the G6-Fab | | Authors: | Yu, C.M, Peng, H.P, Chen, I.C, Lee, Y.C, Chen, J.B, Tsai, K.C, Chen, C.T, Chang, J.Y, Yang, E.W, Hsu, P.C, Jian, J.W, Hsu, H.J, Chang, H.J, Hsu, W.L, Huang, K.F, Ma, A.C, Yang, A.S. | | Deposit date: | 2011-02-16 | | Release date: | 2012-02-22 | | Last modified: | 2012-04-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Rationalization and design of the complementarity determining region sequences in an antibody-antigen recognition interface
Plos One, 7, 2012
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