4NI1
| Quaternary R CO-liganded hemoglobin structure in complex with a thiol containing compound | Descriptor: | 5-[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | Authors: | Safo, M.K, Meadows, J, Ko, T.-P, Nakagawa, A, Zapol, W. | Deposit date: | 2013-11-05 | Release date: | 2014-09-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of a Small Molecule that Increases Hemoglobin Oxygen Affinity and Reduces SS Erythrocyte Sickling. Acs Chem.Biol., 9, 2014
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2EEU
| Guanine riboswitch U22A, A52U mutant bound to hypoxanthine | Descriptor: | ACETATE ION, COBALT HEXAMMINE(III), Guanine riboswitch, ... | Authors: | Gilbert, S.D, Love, C.E, Batey, R.T. | Deposit date: | 2007-02-19 | Release date: | 2007-11-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Mutational analysis of the purine riboswitch aptamer domain Biochemistry, 46, 2007
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3G5H
| Crystallographic analysis of cytochrome P450 cyp121 | Descriptor: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Belin, P, Le Du, M.H, Gondry, M. | Deposit date: | 2009-02-05 | Release date: | 2009-04-21 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Identification and structural basis of the reaction catalyzed by CYP121, an essential cytochrome P450 in Mycobacterium tuberculosis. Proc.Natl.Acad.Sci.USA, 106, 2009
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2EET
| Guanine Riboswitch A21G, U75C mutant bound to hypoxanthine | Descriptor: | ACETATE ION, COBALT HEXAMMINE(III), Guanine Riboswitch, ... | Authors: | Gilbert, S.D, Edwards, A.L, Batey, R.T. | Deposit date: | 2007-02-18 | Release date: | 2007-11-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Mutational analysis of the purine riboswitch aptamer domain Biochemistry, 46, 2007
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1GG8
| DESIGN OF INHIBITORS OF GLYCOGEN PHOSPHORYLASE: A STUDY OF ALPHA-AND BETA-C-GLUCOSIDES AND 1-THIO-BETA-D-GLUCOSE COMPOUNDS | Descriptor: | ALPHA-D-GLUCOPYRANOSYL-2-CARBOXYLIC ACID AMIDE, INOSINIC ACID, PROTEIN (GLYCOGEN PHOSPHORYLASE), ... | Authors: | Watson, K.A, Mitchell, E.P, Johnson, L.N, Son, J.C, Bichard, C.J, Orchard, M.G, Fleet, G.W, Oikonomakos, N.G, Leonidas, D.D, Kontou, M, Papageorgiou, A.C. | Deposit date: | 2000-07-30 | Release date: | 2000-08-23 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Design of inhibitors of glycogen phosphorylase: a study of alpha- and beta-C-glucosides and 1-thio-beta-D-glucose compounds. Biochemistry, 33, 1994
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2EEV
| Guanine riboswitch U22C, A52G mutant bound to hypoxanthine | Descriptor: | ACETATE ION, COBALT HEXAMMINE(III), HYPOXANTHINE, ... | Authors: | Gilbert, S.D, Love, C.E, Batey, R.T. | Deposit date: | 2007-02-19 | Release date: | 2007-11-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Mutational analysis of the purine riboswitch aptamer domain Biochemistry, 46, 2007
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2TAA
| STRUCTURE AND POSSIBLE CATALYTIC RESIDUES OF TAKA-AMYLASE A | Descriptor: | CALCIUM ION, TAKA-AMYLASE A | Authors: | Kusunoki, M, Matsuura, Y, Tanaka, N, Kakudo, M. | Deposit date: | 1982-10-18 | Release date: | 1982-10-21 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure and possible catalytic residues of Taka-amylase A J.Biochem.(Tokyo), 95, 1984
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5TBW
| Crystal structure of chlorolissoclimide bound to the yeast 80S ribosome | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | Authors: | Konst, Z.A, Szklarski, A.R, Pellegrino, S, Michalak, S.E, Meyer, M, Zanette, C, Cencic, R, Nam, S, Horne, D.A, Pelletier, J, Mobley, D.L, Yusupova, G, Yusupov, M, Vanderwal, C.D. | Deposit date: | 2016-09-13 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Synthesis facilitates an understanding of the structural basis for translation inhibition by the lissoclimides. Nat Chem, 9, 2017
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4J75
| Crystal Structure of a parasite tRNA synthetase, product-bound | Descriptor: | GLYCEROL, TRYPTOPHANYL-5'AMP, Tryptophanyl-tRNA synthetase | Authors: | Koh, C.Y, Kim, J.E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-02-12 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of Plasmodium falciparum cytosolic tryptophanyl-tRNA synthetase and its potential as a target for structure-guided drug design. Mol.Biochem.Parasitol., 189, 2013
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4V78
| E. coli 70S-fMetVal-tRNAVal-tRNAfMet complex in intermediate post-translocation state (post3a) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Blau, C, Bock, L.V, Schroder, G.F, Davydov, I, Fischer, N, Stark, H, Rodnina, M.V, Vaiana, A.C, Grubmuller, H. | Deposit date: | 2013-10-14 | Release date: | 2014-07-09 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (20 Å) | Cite: | Energy barriers and driving forces in tRNA translocation through the ribosome. Nat.Struct.Mol.Biol., 20, 2013
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1UB6
| Crystal structure of Antibody 19G2 with sera ligand | Descriptor: | antibody 19G2, alpha chain, beta chain | Authors: | Beuscher, A.B, Wirsching, P, Lerner, R.A, Janda, K, Stevens, R.C. | Deposit date: | 2003-03-30 | Release date: | 2004-04-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structure and Dynamics of Blue Fluorescent Antibody 19G2 at Blue and Violet Fluorescent Temperatures To be published
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4V71
| E. coli 70S-fMetVal-tRNAVal-tRNAfMet complex in intermediate pre-translocation state (pre2) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Blau, C, Bock, L.V, Schroder, G.F, Davydov, I, Fischer, N, Stark, H, Rodnina, M.V, Vaiana, A.C, Grubmuller, H. | Deposit date: | 2013-10-14 | Release date: | 2014-07-09 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (20 Å) | Cite: | Energy barriers and driving forces in tRNA translocation through the ribosome. Nat.Struct.Mol.Biol., 20, 2013
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4V75
| E. coli 70S-fMetVal-tRNAVal-tRNAfMet complex in classic post-translocation state (post1) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Blau, C, Bock, L.V, Schroder, G.F, Davydov, I, Fischer, N, Stark, H, Rodnina, M.V, Vaiana, A.C, Grubmuller, H. | Deposit date: | 2013-10-14 | Release date: | 2014-07-09 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (12 Å) | Cite: | Energy barriers and driving forces in tRNA translocation through the ribosome. Nat.Struct.Mol.Biol., 20, 2013
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1UDD
| TenA homologue protein from P.horikoshii OT3 | Descriptor: | transcriptional regulator | Authors: | Itou, H, Yao, M, Watanabe, N, Tanaka, I. | Deposit date: | 2003-04-28 | Release date: | 2004-06-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure analysis of PH1161 protein, a transcriptional activator TenA homologue from the hyperthermophilic archaeon Pyrococcus horikoshii. Acta Crystallogr.,Sect.D, 60, 2004
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4Z84
| PKAB3 in complex with pyrrolidine inhibitor 34a | Descriptor: | 7-[(3S,4R)-4-(3-chlorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one, METHANOL, cAMP-dependent protein kinase catalytic subunit alpha, ... | Authors: | Lund, B.A, Alam, K.A, Engh, R.A. | Deposit date: | 2015-04-08 | Release date: | 2015-12-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.554 Å) | Cite: | Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of PKA and a PKB Mimic. Chemistry, 22, 2016
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1G9F
| CRYSTAL STRUCTURE OF THE SOYBEAN AGGLUTININ IN A COMPLEX WITH A BIANTENNARY BLOOD GROUP ANTIGEN ANALOG | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, LECTIN, ... | Authors: | Buts, L, Hamelryck, T.W, Dao-Thi, M.-H, Loris, R, Wyns, L, Etzler, M.E. | Deposit date: | 2000-11-23 | Release date: | 2001-06-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Weak protein-protein interactions in lectins: the crystal structure of a vegetative lectin from the legume Dolichos biflorus. J.Mol.Biol., 309, 2001
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4Z83
| PKAB3 in complex with pyrrolidine inhibitor 47a | Descriptor: | 7-{(3S,4R)-4-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}quinazolin-4(3H)-one, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Lund, B.A, Alam, K.A, Engh, R.A. | Deposit date: | 2015-04-08 | Release date: | 2015-12-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of PKA and a PKB Mimic. Chemistry, 22, 2016
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3TDC
| Crystal Structure of Human Acetyl-CoA carboxylase 2 | Descriptor: | 1-[3-({4-[(5S)-3,3-dimethyl-1-oxo-2-oxa-7-azaspiro[4.5]dec-7-yl]piperidin-1-yl}carbonyl)-1-benzothiophen-2-yl]-3-ethylurea, Acetyl-CoA carboxylase 2 variant | Authors: | Dougan, D.R, Mol, C.D. | Deposit date: | 2011-08-10 | Release date: | 2011-10-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Design, synthesis, and structure-activity relationships of spirolactones bearing 2-ureidobenzothiophene as acetyl-CoA carboxylases inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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2QJB
| Crystal structure analysis of BMP-2 in complex with BMPR-IA variant IA/IB | Descriptor: | Bone morphogenetic protein 2, Bone morphogenetic protein receptor type IA, CHLORIDE ION | Authors: | Kotzsch, A, Mueller, T.D. | Deposit date: | 2007-07-06 | Release date: | 2008-01-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure analysis of bone morphogenetic protein-2 type I receptor complexes reveals a mechanism of receptor inactivation in juvenile polyposis syndrome. J.Biol.Chem., 283, 2008
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1A95
| XPRTASE FROM E. COLI COMPLEXED WITH MG:CPRPP AND GUANINE | Descriptor: | 1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-METHANOL-5-PHOSPHATE, BORIC ACID, GUANINE, ... | Authors: | Vos, S, Parry, R.J, Burns, M.R, De Jersey, J, Martin, J.L. | Deposit date: | 1998-04-16 | Release date: | 1998-11-11 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of free and complexed forms of Escherichia coli xanthine-guanine phosphoribosyltransferase. J.Mol.Biol., 282, 1998
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3TEH
| Crystal structure of Thermus thermophilus Phenylalanyl-tRNA synthetase complexed with L-dopa | Descriptor: | 3,4-DIHYDROXYPHENYLALANINE, Phenylalanyl-tRNA synthetase alpha chain, Phenylalanyl-tRNA synthetase beta chain | Authors: | Safro, M, Klipcan, L, Moor, N. | Deposit date: | 2011-08-14 | Release date: | 2011-11-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8524 Å) | Cite: | Bacterial and Eukaryotic Phenylalanyl-tRNA Synthetases Catalyze Misaminoacylation of tRNA(Phe) with 3,4-Dihydroxy-L-Phenylalanine. Chem.Biol., 18, 2011
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7AML
| RET/GDNF/GFRa1 extracellular complex Cryo-EM structure | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GDNF family receptor alpha, ... | Authors: | Adams, S.E, Earl, C.P, Purkiss, A.G, McDonald, N.Q. | Deposit date: | 2020-10-09 | Release date: | 2021-01-13 | Last modified: | 2021-07-14 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | A two-site flexible clamp mechanism for RET-GDNF-GFR alpha 1 assembly reveals both conformational adaptation and strict geometric spacing. Structure, 29, 2021
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7UMH
| Energetic robustness to large scale structural dynamics in a photosynthetic supercomplex | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Harris, D, Toporik, H, Schlau-Cohen, G.S, Mazor, Y. | Deposit date: | 2022-04-07 | Release date: | 2023-05-17 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Energetic robustness to large scale structural fluctuations in a photosynthetic supercomplex. Nat Commun, 14, 2023
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7QYT
| BAZ2A bromodomain in complex with acetylpyrrole derivative compound 80 | Descriptor: | 3-methyl-1-(2-piperazin-1-yl-1,3-thiazol-4-yl)-2,5,6,7-tetrahydroisoindol-4-one, Bromodomain adjacent to zinc finger domain protein 2A | Authors: | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | Deposit date: | 2022-01-29 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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7QWY
| BAZ2A bromodomain in complex with acetylpyrrole derivative compound 61 | Descriptor: | 1-[4-ethyl-2-methyl-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A | Authors: | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | Deposit date: | 2022-01-26 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.443 Å) | Cite: | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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