3K2X
 
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8FCA
 | | Cryo-EM structure of the human TRPV4 - RhoA in complex with 4alpha-Phorbol 12,13-didecanoate | | Descriptor: | (1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-9a-(decanoyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl decanoate, CHOLESTEROL HEMISUCCINATE, Transient receptor potential cation channel subfamily V member 4 | | Authors: | Kwon, D.H, Lee, S.-Y, Zhang, F. | | Deposit date: | 2022-12-01 | | Release date: | 2023-07-12 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.41 Å) | | Cite: | TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Nat Commun, 14, 2023
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3JVH
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6MA8
 | | Human CYP3A4 bound to PMSF | | Descriptor: | 1,2-ETHANEDIOL, Cytochrome P450 3A4, DIMETHYL SULFOXIDE, ... | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2018-08-26 | | Release date: | 2019-01-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Interaction of Human Drug-Metabolizing CYP3A4 with Small Inhibitory Molecules.
Biochemistry, 58, 2019
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8JPV
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4FER
 | | Crystal structure of Bacillus Subtilis expansin (EXLX1) in complex with cellohexaose | | Descriptor: | ACETIC ACID, Expansin-yoaJ, GLYCEROL, ... | | Authors: | Georgelis, N, Yennawar, N.H, Cosgrove, D.J. | | Deposit date: | 2012-05-30 | | Release date: | 2012-08-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.099 Å) | | Cite: | Structural basis for entropy-driven cellulose binding by a type-A cellulose-binding module (CBM) and bacterial expansin.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3MHD
 | | Crystal structure of DCR3 | | Descriptor: | Tumor necrosis factor receptor superfamily member 6B | | Authors: | Zhan, C, Patskovsky, Y, Yan, Q, Li, Z, Ramagopal, U.A, Nathenson, S.G, Almo, S.C. | | Deposit date: | 2010-04-07 | | Release date: | 2011-02-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.901 Å) | | Cite: | Decoy Strategies: The Structure of TL1A:DcR3 Complex.
Structure, 19, 2011
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3K14
 | | Co-crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with FOL fragment 535, ethyl 3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate | | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ACETATE ION, CHLORIDE ION, ... | | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2009-09-25 | | Release date: | 2009-10-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
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5YZ7
 | | Crystal structure of OsD14 in complex with D-ring-opened 7'-carba-4BD | | Descriptor: | (2Z,4S)-5-(4-bromophenyl)-4-hydroxy-2-methylpent-2-enoic acid, Strigolactone esterase D14 | | Authors: | Hirabayashi, K, Jiang, K, Xu, Y, Miyakawa, T, Asami, T, Tanokura, M. | | Deposit date: | 2017-12-13 | | Release date: | 2018-05-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | Rationally Designed Strigolactone Analogs as Antagonists of the D14 Receptor.
Plant Cell Physiol., 59, 2018
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6MA6
 | | Human CYP3A4 bound to an inhibitor metyrapone | | Descriptor: | 1,2-ETHANEDIOL, Cytochrome P450 3A4, GLYCEROL, ... | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2018-08-26 | | Release date: | 2019-01-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.182 Å) | | Cite: | Interaction of Human Drug-Metabolizing CYP3A4 with Small Inhibitory Molecules.
Biochemistry, 58, 2019
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4FCB
 | | Potent and Selective Phosphodiesterase 10A Inhibitors | | Descriptor: | 3,4-dimethyl-1-propyl-7-(quinolin-2-ylmethoxy)imidazo[1,5-a]quinoxaline, MAGNESIUM ION, ZINC ION, ... | | Authors: | Parris, K.D. | | Deposit date: | 2012-05-24 | | Release date: | 2012-09-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Novel triazines as potent and selective phosphodiesterase 10A inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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4FG2
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4FG4
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1J1Y
 | | Crystal Structure of PaaI from Thermus thermophilus HB8 | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PaaI protein | | Authors: | Kunishima, N, Sugahara, M, Kuramitsu, S, Yokoyama, S, Miyano, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2002-12-24 | | Release date: | 2004-02-17 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A Novel Induced-fit Reaction Mechanism of Asymmetric Hot Dog Thioesterase PaaI
J.Mol.Biol., 352, 2005
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1E2M
 | | HPT + HMTT | | Descriptor: | 6-HYDROXYPROPYLTHYMINE, SULFATE ION, THYMIDINE KINASE | | Authors: | Vogt, J, Scapozza, L, Schulz, G.E. | | Deposit date: | 2000-05-23 | | Release date: | 2001-03-31 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Effect of Substrate Binding on the Conformation and Structural Stability of Herpes Simplex Virus Type 1 Thymidine Kinase
Protein Sci., 10, 2001
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5ZDL
 | | Crystal Structure Analysis of TtQRS in co-crystallised with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Glutamine--tRNA ligase | | Authors: | Mutharasappan, N, Jain, V, Sharma, A, Manickam, Y, Jeyaraman, J. | | Deposit date: | 2018-02-23 | | Release date: | 2018-12-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and functional analysis of Glutaminyl-tRNA synthetase (TtGlnRS) from Thermus thermophilus HB8 and its complexes
Int. J. Biol. Macromol., 120, 2018
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4FFT
 | | Crystal structure of Bacillus Subtilis expansin (EXLX1) in complex with mixed-linkage glucan | | Descriptor: | ACETIC ACID, Expansin-yoaJ, SULFATE ION, ... | | Authors: | Georgelis, N, Yennawar, N.H, Cosgrove, D.J. | | Deposit date: | 2012-06-01 | | Release date: | 2012-08-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for entropy-driven cellulose binding by a type-A cellulose-binding module (CBM) and bacterial expansin.
Proc.Natl.Acad.Sci.USA, 109, 2012
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5DZD
 | | Crystal Structure of WW4 domain of ITCH in complex with TXNIP peptide | | Descriptor: | E3 ubiquitin-protein ligase Itchy homolog, Thioredoxin-interacting protein, UNKNOWN ATOM OR ION | | Authors: | Liu, Y, Tempel, W, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-09-25 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Crystal Structure of WW4 domain of ITCH in complex with TXNIP peptide
To be Published
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5YYN
 | | Crystal structures of E.coli arginyl-trna synthetase (argrs) in complex with substrate TRNA(Arg) | | Descriptor: | Arginine--tRNA ligase, TRNA | | Authors: | Zhou, M, Ye, S, Stephen, P, Zhang, R.G, Wang, E.D, Giege, R, Lin, S.X. | | Deposit date: | 2017-12-10 | | Release date: | 2018-12-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal Structures Of E.Coli Arginyl-Trna Synthetase (Argrs) In Complex With Substrates
To Be Published
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2UZ6
 | | AChBP-targeted a-conotoxin correlates distinct binding orientations with nAChR subtype selectivity. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-CONOTOXIN TXIA(A10L), GLYCEROL, ... | | Authors: | Ulens, C, Dutertre, S, Buttner, R, Fish, A, van Elk, R, Kendel, Y, Hopping, G, Alewood, P.F, Schroeder, C, Nicke, A, Smit, A.B, Sixma, T.K, Lewis, R.J. | | Deposit date: | 2007-04-25 | | Release date: | 2007-08-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Achbp-Targeted Alpha-Conotoxin Correlates Distinct Binding Orientations with Nachr Subtype Selectivity
Embo J., 26, 2007
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1LKO
 | | Crystal structure of Desulfovibrio vulgaris rubrerythrin all-iron(II) form | | Descriptor: | FE (II) ION, Rubrerythrin all-iron(II) form | | Authors: | Jin, S, Kurtz Jr, D.M, Liu, Z.J, Rose, J, Wang, B.C. | | Deposit date: | 2002-04-25 | | Release date: | 2002-09-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | X-ray Crystal Structures of Reduced Rubrerythrin and its Azide Adduct: A Structure-Based Mechanism for a Non-Heme DiIron Peroxidase
J.Am.Chem.Soc., 124, 2002
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3MBM
 | | Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with cytosine and FoL fragment 717, imidazo[2,1-b][1,3]thiazol-6-ylmethanol | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 6-AMINOPYRIMIDIN-2(1H)-ONE, ... | | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2010-03-25 | | Release date: | 2010-04-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
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2AS3
 | | cytochrome c peroxidase in complex with phenol | | Descriptor: | Cytochrome c peroxidase, mitochondrial, PHENOL, ... | | Authors: | Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K. | | Deposit date: | 2005-08-22 | | Release date: | 2006-04-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Probing molecular docking in a charged model binding site.
J.Mol.Biol., 357, 2006
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4FAO
 | | Specificity and Structure of a high affinity Activin-like 1 (ALK1) signaling complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Activin receptor type-2B, Growth/differentiation factor 2, ... | | Authors: | Townson, S.A, Martinez-Hackert, E, Greppi, C, Lowden, P, Sako, D, Liu, J, Ucran, J.A, Liharska, K, Underwood, K.W, Seehra, J, Kumar, R, Grinberg, A.V. | | Deposit date: | 2012-05-22 | | Release date: | 2012-06-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.357 Å) | | Cite: | Specificity and Structure of a High Affinity Activin Receptor-like Kinase 1 (ALK1) Signaling Complex.
J.Biol.Chem., 287, 2012
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2AS6
 | | cytochrome c peroxidase in complex with cyclopentylamine | | Descriptor: | CYCLOPENTANAMINE, Cytochrome c peroxidase, mitochondrial, ... | | Authors: | Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K. | | Deposit date: | 2005-08-22 | | Release date: | 2006-04-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Probing molecular docking in a charged model binding site.
J.Mol.Biol., 357, 2006
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