3TA5
| Cobalt bound structure of an archaeal member of the LigD 3'-phosphoesterase DNA repair enzyme family | Descriptor: | ATP-dependent DNA ligase, N-terminal domain protein, COBALT (II) ION, ... | Authors: | Das, U, Smith, P, Shuman, S. | Deposit date: | 2011-08-03 | Release date: | 2011-10-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Structural insights to the metal specificity of an archaeal member of the LigD 3'-phosphoesterase DNA repair enzyme family. Nucleic Acids Res., 40, 2012
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7YAC
| Paltusotine-bound SSTR2-Gi complex | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Zhao, J, Shao, Z. | Deposit date: | 2022-06-27 | Release date: | 2023-04-19 | Last modified: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | Prospect of acromegaly therapy: molecular mechanism of clinical drugs octreotide and paltusotine. Nat Commun, 14, 2023
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7YAE
| Octreotide-bound SSTR2-Gi complex | Descriptor: | CHOLESTEROL, DPN-CYS-PHE-DTR-LYS-THR-CYS-THO, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Zhao, J, Shao, Z. | Deposit date: | 2022-06-28 | Release date: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Prospect of acromegaly therapy: molecular mechanism of clinical drugs octreotide and paltusotine. Nat Commun, 14, 2023
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3TA7
| Zinc bound structure of an archaeal member of the LigD 3'-phosphoesterase DNA repair enzyme family | Descriptor: | ATP-dependent DNA ligase, N-terminal domain protein, DI(HYDROXYETHYL)ETHER, ... | Authors: | Das, U, Smith, P, Shuman, S. | Deposit date: | 2011-08-03 | Release date: | 2011-10-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Structural insights to the metal specificity of an archaeal member of the LigD 3'-phosphoesterase DNA repair enzyme family. Nucleic Acids Res., 40, 2012
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3OZR
| Rat catechol O-methyltransferase in complex with a catechol-type, bisubstrate inhibitor, no substituent in the adenine site - humanized form | Descriptor: | CHLORIDE ION, Catechol O-methyltransferase, MAGNESIUM ION, ... | Authors: | Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G. | Deposit date: | 2010-09-27 | Release date: | 2011-03-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Molecular Recognition at the Active Site of Catechol-O-methyltransferase (COMT): Adenine Replacements in Bisubstrate Inhibitors Chemistry, 17, 2011
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7Y8F
| Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with an Inhibitor 30o and GRIP Peptide | Descriptor: | DI(HYDROXYETHYL)ETHER, Estrogen receptor, Grip peptide, ... | Authors: | Min, J, Hu, H.B, Yang, Y, Dong, C.E, Zhou, H.B, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-23 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structure-guided identification of novel dual-targeting estrogen receptor alpha degraders with aromatase inhibitory activity for the treatment of endocrine-resistant breast cancer. Eur.J.Med.Chem., 253, 2023
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7Y8G
| Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with an Inhibitor 30a and GRIP Peptide | Descriptor: | DI(HYDROXYETHYL)ETHER, Estrogen receptor, Grip peptide, ... | Authors: | Min, J, Hu, H.B, Yang, Y, Dong, C.E, Zhou, H.B, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-23 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structure-guided identification of novel dual-targeting estrogen receptor alpha degraders with aromatase inhibitory activity for the treatment of endocrine-resistant breast cancer. Eur.J.Med.Chem., 253, 2023
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4PCA
| X-ray crystal structure of an O-methyltransferase from Anaplasma phagocytophilum bound to SAH and Manganese | Descriptor: | 1,2-ETHANEDIOL, MANGANESE (II) ION, O-methyltransferase family protein, ... | Authors: | Fairman, J.W, Abendroth, J, Lorimer, D, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2014-04-14 | Release date: | 2014-06-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | An O-Methyltransferase Is Required for Infection of Tick Cells by Anaplasma phagocytophilum. Plos Pathog., 11, 2015
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4K48
| Structure of the Streptococcus pneumoniae leucyl-tRNA synthetase editing domain | Descriptor: | Leucine--tRNA ligase | Authors: | Hu, Q.H, Liu, R.J, Fang, Z.P, Zhang, J, Ding, Y.Y, Tan, M, Wang, M, Pan, W, Zhou, H.C, Wang, E.D. | Deposit date: | 2013-04-12 | Release date: | 2013-09-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Discovery of a potent benzoxaborole-based anti-pneumococcal agent targeting leucyl-tRNA synthetase Sci Rep, 3, 2013
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8K6Q
| Crystal structure of HOIL-1L LTM domain | Descriptor: | RanBP-type and C3HC4-type zinc finger-containing protein 1 | Authors: | Yan, Z, Pan, L.F. | Deposit date: | 2023-07-25 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Mechanistic insights into the homo-dimerization of HOIL-1L and SHARPIN. Biochem.Biophys.Res.Commun., 689, 2023
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4PCL
| X-ray crystal structure of an O-methyltransferase from Anaplasma phagocytophilum bound to SAM and a Manganese ion. | Descriptor: | 1,2-ETHANEDIOL, MANGANESE (II) ION, O-methyltransferase family protein, ... | Authors: | Fairman, J.W, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2014-04-15 | Release date: | 2014-06-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | An O-Methyltransferase Is Required for Infection of Tick Cells by Anaplasma phagocytophilum. Plos Pathog., 11, 2015
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2G24
| Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring | Descriptor: | 5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-6-ETHYLPYRIMIDINE-2,4-DIAMINE, Renin | Authors: | Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P. | Deposit date: | 2006-02-15 | Release date: | 2006-06-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring BIOORG.MED.CHEM.LETT., 16, 2006
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1D6U
| CRYSTAL STRUCTURE OF E. COLI AMINE OXIDASE ANAEROBICALLY REDUCED WITH BETA-PHENYLETHYLAMINE | Descriptor: | 2-PHENYLETHYLAMINE, CALCIUM ION, COPPER (II) ION, ... | Authors: | Wilmot, C.M, Hajdu, J, McPherson, M.J, Knowles, P.F, Phillips, S.E.V. | Deposit date: | 1999-10-15 | Release date: | 2000-02-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Visualization of dioxygen bound to copper during enzyme catalysis. Science, 286, 1999
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2F1B
| GOLGI ALPHA-MANNOSIDASE II COMPLEX WITH (2R,3R,4S,5R)-2-({[(1R)-2-hydroxy-1-phenylethyl]amino}methyl)-5-methylpyrrolidine-3,4-diol | Descriptor: | (2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE-3,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kuntz, D.A, Rose, D.R. | Deposit date: | 2005-11-14 | Release date: | 2006-12-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Evaluation of docking programs for predicting binding of Golgi alpha-mannosidase II inhibitors: a comparison with crystallography. Proteins, 69, 2007
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1D6Z
| CRYSTAL STRUCTURE OF THE AEROBICALLY FREEZE TRAPPED RATE-DETERMINING CATALYTIC INTERMEDIATE OF E. COLI COPPER-CONTAINING AMINE OXIDASE. | Descriptor: | 2-PHENYLETHYLAMINE, CALCIUM ION, COPPER (II) ION, ... | Authors: | Wilmot, C.M, Hajdu, J, McPherson, M.J, Knowles, P.F, Phillips, S.E.V. | Deposit date: | 1999-10-16 | Release date: | 2000-02-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Visualization of dioxygen bound to copper during enzyme catalysis. Science, 286, 1999
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1YVH
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2F8W
| Crystal structure of d(CACGTG)2 | Descriptor: | 1,3-DIAMINOPROPANE, 5'-D(*CP*AP*CP*GP*TP*G)-3', SPERMINE | Authors: | Narayana, N, Shamala, N, Ganesh, K.N, Viswamitra, M.A. | Deposit date: | 2005-12-04 | Release date: | 2006-01-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Interaction between the Z-Type DNA Duplex and 1,3-Propanediamine: Crystal Structure of d(CACGTG)2 at 1.2 A Resolution Biochemistry, 45, 2006
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1CL0
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7E7F
| Human CYP11B1 mutant in complex with metyrapone | Descriptor: | CHOLIC ACID, Cytochrome P450 11B1, mitochondrial, ... | Authors: | Mukai, K, Sugimoto, H, Reiko, S, Matsuura, T, Hishiki, T, Kagawa, N. | Deposit date: | 2021-02-26 | Release date: | 2022-01-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Spatially restricted substrate-binding site of cortisol-synthesizing CYP11B1 limits multiple hydroxylations and hinders aldosterone synthesis. Curr Res Struct Biol, 3, 2021
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2FDJ
| Crystal Structure of AlkB in complex with Fe(II) and succinate | Descriptor: | Alkylated DNA repair protein alkB, FE (II) ION, SUCCINIC ACID | Authors: | Yu, B, Benach, J, Edstrom, W.C, Gibney, B.R, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2005-12-14 | Release date: | 2006-02-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of catalytic complexes of the oxidative DNA/RNA repair enzyme AlkB. Nature, 439, 2006
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4GHF
| Structure of Y257F variant of Homoprotocatechuate 2,3-Dioxygenase from B.fuscum in complex with 4-Nitrocatechol and dioxygen at 1.67 Ang resolution | Descriptor: | 4-NITROCATECHOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Kovaleva, E.G, Lipscomb, J.D. | Deposit date: | 2012-08-07 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structural basis for the role of tyrosine 257 of homoprotocatechuate 2,3-dioxygenase in substrate and oxygen activation. Biochemistry, 51, 2012
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1RQL
| Crystal Structure of Phosponoacetaldehyde Hydrolase Complexed with Magnesium and the Inhibitor Vinyl Sulfonate | Descriptor: | MAGNESIUM ION, Phosphonoacetaldehyde Hydrolase, VINYLSULPHONIC ACID | Authors: | Morais, M.C, Zhang, G, Zhang, W, Olsen, D.B, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2003-12-05 | Release date: | 2004-04-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray crystallographic and site-directed mutagenesis
analysis of the mechanism of Schiff-base formation in
phosphonoacetaldehyde hydrolase catalysis J.Biol.Chem., 279, 2004
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2FDF
| Crystal Structure of AlkB in complex with Co(II), 2-oxoglutarate, and methylated trinucleotide T-meA-T | Descriptor: | 2-OXOGLUTARIC ACID, 5'-D(P*TP*(MA7)P*T)-3', Alkylated DNA repair protein alkB, ... | Authors: | Yu, B, Benach, J, Edstrom, W.C, Gibney, B.R, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2005-12-13 | Release date: | 2006-02-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of catalytic complexes of the oxidative DNA/RNA repair enzyme AlkB. Nature, 439, 2006
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1EOU
| CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH AN ANTICONVULSANT SUGAR SULFAMATE | Descriptor: | CARBONIC ANHYDRASE II (CA II), SULFAMIC ACID 2,3-O-(1-METHYLETHYLIDENE)-4,5-O-SULFONYL-BETA-FRUCTOPYRANOSE ESTER, ZINC ION | Authors: | Recacha, R, Costanzo, M.J, Maryanoff, B.E, Chattopadhyay, D. | Deposit date: | 2000-03-24 | Release date: | 2002-02-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of human carbonic anhydrase II complexed with an anti-convulsant sugar sulphamate. Biochem.J., 361, 2002
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4GHH
| Structure of Homoprotocatechuate 2,3-Dioxygenase from B.fuscum in complex with 4-Nitrocatechol at 1.55 Ang resolution | Descriptor: | 4-NITROCATECHOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Kovaleva, E.G, Lipscomb, J.D. | Deposit date: | 2012-08-07 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural basis for the role of tyrosine 257 of homoprotocatechuate 2,3-dioxygenase in substrate and oxygen activation. Biochemistry, 51, 2012
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