4EGP
| The X-ray crystal structure of CYP199A4 in complex with 2-naphthoic acid | Descriptor: | CHLORIDE ION, Cytochrome P450, GLYCEROL, ... | Authors: | Zhou, W, Bell, S.G, Yang, W, Zhou, R.M, Tan, A.B.H, Wong, L.-L. | Deposit date: | 2012-03-31 | Release date: | 2013-02-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Investigation of the substrate range of CYP199A4: modification of the partition between hydroxylation and desaturation activities by substrate and protein engineering Chemistry, 18, 2012
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4ER6
| Crystal structure of human DOT1L in complex with inhibitor SGC0946 | Descriptor: | 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, BROMIDE ION, Histone-lysine N-methyltransferase, ... | Authors: | Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2012-04-19 | Release date: | 2012-05-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
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1G29
| MALK | Descriptor: | 1,4-DIETHYLENE DIOXIDE, AMMONIUM ION, CHLORIDE ION, ... | Authors: | Diederichs, K, Diez, J, Greller, G, Mueller, C, Breed, J, Schnell, C, Vonrhein, C, Boos, W, Welte, W. | Deposit date: | 2000-10-18 | Release date: | 2000-12-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of MalK, the ATPase subunit of the trehalose/maltose ABC transporter of the archaeon Thermococcus litoralis. EMBO J., 19, 2000
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1G6P
| SOLUTION NMR STRUCTURE OF THE COLD SHOCK PROTEIN FROM THE HYPERTHERMOPHILIC BACTERIUM THERMOTOGA MARITIMA | Descriptor: | COLD SHOCK PROTEIN TMCSP | Authors: | Kremer, W, Schuler, B, Harrieder, S, Geyer, M, Gronwald, W, Welker, C, Jaenicke, R, Kalbitzer, H.R. | Deposit date: | 2000-11-07 | Release date: | 2001-11-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of the cold-shock protein from the hyperthermophilic bacterium Thermotoga maritima. Eur.J.Biochem., 268, 2001
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1GK0
| Structure-based prediction of modifications in glutarylamidase to allow single-step enzymatic production of 7-aminocephalosporanic acid from cephalosporin C | Descriptor: | 1,2-ETHANEDIOL, CEPHALOSPORIN ACYLASE, PHOSPHATE ION | Authors: | Fritz-Wolf, K, Koller, K.P, Lange, G, Liesum, A, Sauber, K, Schreuder, H, Aretz, W, Kabsch, W. | Deposit date: | 2001-08-07 | Release date: | 2002-01-01 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Prediction of Modifications in Glutarylamidase to Allow Single-Step Enzymatic Production of 7-Aminocephalosporanic Acid from Cephalosporin C. Protein Sci., 11, 2002
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2PRK
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4EGN
| The X-ray crystal structure of CYP199A4 in complex with veratric acid | Descriptor: | 3,4-dimethoxybenzoic acid, CHLORIDE ION, Cytochrome P450, ... | Authors: | Zhou, W, Bell, S.G, Yang, W, Zhou, R.M, Tan, A.B.H, Wong, L.-L. | Deposit date: | 2012-03-31 | Release date: | 2013-02-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Investigation of the substrate range of CYP199A4: modification of the partition between hydroxylation and desaturation activities by substrate and protein engineering Chemistry, 18, 2012
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1G70
| COMPLEX OF HIV-1 RRE-IIB RNA WITH RSG-1.2 PEPTIDE | Descriptor: | HIV-1 RRE-IIB 32 NUCLEOTIDE RNA, RSG-1.2 PEPTIDE | Authors: | Gosser, Y, Hermann, T, Majumdar, A, Hu, W, Frederick, R, Jiang, F, Xu, W, Patel, D.J. | Deposit date: | 2000-11-08 | Release date: | 2001-02-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Peptide-triggered conformational switch in HIV-1 RRE RNA complexes. Nat.Struct.Biol., 8, 2001
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6ZBV
| Inward-open structure of human glycine transporter 1 in complex with a benzoylisoindoline inhibitor and sybody Sb_GlyT1#7 | Descriptor: | Sodium- and chloride-dependent glycine transporter 1,Sodium- and chloride-dependent glycine transporter 1, Sybody Sb_GlyT1#7, [5-fluoranyl-6-(oxan-4-yloxy)-1,3-dihydroisoindol-2-yl]-[5-methylsulfonyl-2-[2,2,3,3,3-pentakis(fluoranyl)propoxy]phenyl]methanone | Authors: | Shahsavar, A, Stohler, P, Bourenkov, G, Zimmermann, I, Siegrist, M, Guba, W, Pinard, E, Sinning, S, Seeger, M.A, Schneider, T.R, Dawson, R.J.P, Nissen, P. | Deposit date: | 2020-06-09 | Release date: | 2021-03-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural insights into the inhibition of glycine reuptake. Nature, 591, 2021
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6YSX
| Thrombin in complex with 4-amino-N-(5-methylisoxazol-3-yl)benzenesulfonamide (j80) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Hirudin variant-2, ... | Authors: | Scanlan, W, Heine, A, Klebe, G, Abazi, N. | Deposit date: | 2020-04-23 | Release date: | 2021-05-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Thrombin in complex with 4-amino-N-(5-methylisoxazol-3-yl)benzenesulfonamide (j80) To be published
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6YSJ
| Thrombin in complex with 2-amino-1-(4-bromophenyl)ethan-1-one (j10) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-1-(4-bromophenyl)ethanone, DIMETHYL SULFOXIDE, ... | Authors: | Scanlan, W, Heine, A, Klebe, G, Abazi, N, Paulus, A. | Deposit date: | 2020-04-22 | Release date: | 2021-05-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Thrombin in complex with 2-amino-1-(4-bromophenyl)ethan-1-one (j10) To be published
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6Z2S
| Crystal structure of adhibin analogue-bound myosin-2 | Descriptor: | 3,6-dibromo-1-(hydroxymethyl)carbazole, ACETATE ION, ADP METAVANADATE, ... | Authors: | Ewert, W, Knoelker, H.-J, Tsiavaliaris, G, Preller, M. | Deposit date: | 2020-05-18 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The synthetic carbazole adhibin acts as selective myosin class-IX inhibitor in lung cancer cells To Be Published
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6DVR
| Crystal structure of human CARM1 with (R)-SKI-72 | Descriptor: | (2R,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-methoxyphenyl)ethyl]hexanamide (non-preferred name), 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, Histone-arginine methyltransferase CARM1, ... | Authors: | Dong, A, Zeng, H, Hutchinson, A, Seitova, A, Luo, M, Cai, X.C, Ke, W, Wang, J, Shi, C, Zheng, W, Lee, J.P, Ibanez, G, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2018-06-25 | Release date: | 2018-07-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Crystal structure of human CARM1 with (R)-SKI-72 to be published
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6ZQW
| Cryo-EM structure of immature Spondweni virus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein, prM | Authors: | Renner, M, Dejnirattisai, W, Carrique, L, Serna Martin, I, Karia, D, Ilca, S.L, Ho, S.F, Kotecha, A, Keown, J.R, Mongkolsapaya, J, Screaton, G.R, Grimes, J.M. | Deposit date: | 2020-07-10 | Release date: | 2021-01-20 | Last modified: | 2021-08-04 | Method: | ELECTRON MICROSCOPY (7.8 Å) | Cite: | Flavivirus maturation leads to the formation of an occupied lipid pocket in the surface glycoproteins. Nat Commun, 12, 2021
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6ZU4
| Human Sirt6 13-308 in complex with ADP-ribose and the activator fluvastatin | Descriptor: | (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid, GLYCEROL, NAD-dependent protein deacetylase sirtuin-6, ... | Authors: | You, W, Steegborn, C. | Deposit date: | 2020-07-21 | Release date: | 2020-11-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Structural Basis for Activation of Human Sirtuin 6 by Fluvastatin. Acs Med.Chem.Lett., 11, 2020
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6E4L
| The structure of the N-terminal domain of human clathrin heavy chain 1 (nTD) in complex with ES9 | Descriptor: | 1,2-ETHANEDIOL, 5-bromo-N-(4-nitrophenyl)thiophene-2-sulfonamide, ACETATE ION, ... | Authors: | Dejonghe, W, Sharma, I, Denoo, B, Munck, S.D, Bulut, H, Mylle, E, Vasileva, M, Lu, Q, Savatin, D.V, Mishev, K, Nerinckx, W, Staes, A, Drozdzecki, A, Audenaert, D, Madder, A, Friml, J, Damme, D.V, Gevaert, K, Haucke, V, Savvides, S, Winne, J, Russinova, E. | Deposit date: | 2018-07-17 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Disruption of endocytosis through chemical inhibition of clathrin heavy chain function. Nat.Chem.Biol., 15, 2019
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6E53
| Structure of TERT in complex with a novel telomerase inhibitor | Descriptor: | MAGNESIUM ION, RNA/DNA hairpin, Telomerase reverse transcriptase, ... | Authors: | Hernandez-Sanchez, W, Huang, W, Plucinsky, B, Garcia-Vazquez, N, Berdis, A.J, Skordalakes, E, Taylor, D.J. | Deposit date: | 2018-07-19 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A non-natural nucleotide uses a specific pocket to selectively inhibit telomerase activity. Plos Biol., 17, 2019
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5H93
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5H98
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3F6U
| Crystal structure of human Activated Protein C (APC) complexed with PPACK | Descriptor: | CALCIUM ION, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, SODIUM ION, ... | Authors: | Schmidt, A.E, Padmanabhan, K, Underwood, M.C, Bode, W, Mather, T, Bajaj, S.P. | Deposit date: | 2008-11-06 | Release date: | 2008-11-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Thermodynamic linkage between the S1 site, the Na+ site, and the Ca2+ site in the protease domain of human activated protein C (APC). J.Biol.Chem., 277, 2002
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3FI1
| NhaA dimer model | Descriptor: | Na(+)/H(+) antiporter nhaA | Authors: | Appel, M, Hizlan, D, Vinothkumar, K.R, Ziegler, C, Kuehlbrandt, W. | Deposit date: | 2008-12-10 | Release date: | 2009-01-13 | Last modified: | 2024-02-21 | Method: | ELECTRON CRYSTALLOGRAPHY (7 Å) | Cite: | Conformations of NhaA, the Na/H exchanger from Escherichia coli, in the pH-activated and ion-translocating states J.Mol.Biol., 386, 2009
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8B7Z
| Bacterial chalcone isomerase H33A with taxifolin | Descriptor: | (2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Palm, G.J, Hinrichs, W. | Deposit date: | 2022-10-03 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Basis for (2 R ,3 R )-Taxifolin Binding and Reaction Products to the Bacterial Chalcone Isomerase of Eubacterium ramulus . Molecules, 27, 2022
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8B7R
| Bacterial chalcone isomerase with taxifolin chalcone | Descriptor: | (Z)-3-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-1-[2,4,6-tris(oxidanyl)phenyl]prop-2-en-1-one, CHLORIDE ION, Chalcone isomerase, ... | Authors: | Hinrichs, W, Palm, G.J. | Deposit date: | 2022-10-02 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural Basis for (2 R ,3 R )-Taxifolin Binding and Reaction Products to the Bacterial Chalcone Isomerase of Eubacterium ramulus . Molecules, 27, 2022
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8B7U
| Bacterial chalcone isomerase H33A with taxifolin | Descriptor: | (2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, CHLORIDE ION, Chalcone isomerase, ... | Authors: | Hinrichs, W, Palm, G.J. | Deposit date: | 2022-10-03 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis for (2 R ,3 R )-Taxifolin Binding and Reaction Products to the Bacterial Chalcone Isomerase of Eubacterium ramulus . Molecules, 27, 2022
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2PMF
| The crystal structure of a human glycyl-tRNA synthetase mutant | Descriptor: | CHLORIDE ION, GLYCEROL, Glycyl-tRNA synthetase | Authors: | Xie, W. | Deposit date: | 2007-04-21 | Release date: | 2007-05-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Long-range structural effects of a Charcot-Marie- Tooth disease-causing mutation in human glycyl-tRNA synthetase. Proc.Natl.Acad.Sci.Usa, 104, 2007
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