1M1Y
| Chemical Crosslink of Nitrogenase MoFe Protein and Fe Protein | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE(8)-S(7) CLUSTER, ... | Authors: | Schmid, B, Einsle, O, Chiu, H.J, Willing, A, Yoshida, M, Howard, J.B, Rees, D.C. | Deposit date: | 2002-06-20 | Release date: | 2003-02-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Biochemical and Structural Characterization of the Crosslinked Complex of Nitrogenase: Comparison to the ADP-AlF4- Stabilized Structure Biochemistry, 41, 2002
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1M34
| Nitrogenase Complex From Azotobacter Vinelandii Stabilized By ADP-Tetrafluoroaluminate | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... | Authors: | Schmid, B, Einsle, O, Chiu, H.-J, Willing, A, Yoshida, M, Howard, J.B, Rees, D.C. | Deposit date: | 2002-06-27 | Release date: | 2003-02-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Biochemical and Structural Characterization of the Crosslinked Complex of Nitrogenase: Comparison to the ADP-AlF4 Stabilized structure Biochemistry, 41, 2002
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5HBH
| CDK8-CYCC IN COMPLEX WITH 5-{5-Chloro-4-[1-(2-methoxy-ethyl)-1,8-diaza-spiro[4.5]dec-8-yl]-pyridin-3-yl}-1-methyl-1,3-dihydro-benzo[c]isothiazole 2,2-dioxide | Descriptor: | 1,2-ETHANEDIOL, 5-[5-chloranyl-4-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]pyridin-3-yl]-1-methyl-3~{H}-2,1-benzothiazole 2,2-dioxide, Cyclin-C, ... | Authors: | Musil, D, Blagg, J, Mallinger, A. | Deposit date: | 2015-12-31 | Release date: | 2016-02-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19. J.Med.Chem., 59, 2016
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5HBE
| CDK8-CYCC IN COMPLEX WITH 8-[3-Chloro-5-(1-methyl-2,2-dioxo-2, 3-dihydro-1H-2l6-benzo[c]isothiazol-5-yl)-pyridin- 4-yl]-1-oxa-3,8-diaza-spiro[4.5]decan-2-one | Descriptor: | 1,2-ETHANEDIOL, 8-[3-chloranyl-5-[1-methyl-2,2-bis(oxidanylidene)-3~{H}-2,1-benzothiazol-5-yl]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one, Cyclin-C, ... | Authors: | Musil, D, Blagg, J, Mallinger, A. | Deposit date: | 2015-12-31 | Release date: | 2016-02-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19. J.Med.Chem., 59, 2016
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6R8G
| Crystal structure of malate dehydrogenase from Plasmodium Falciparum in complex with 4-(3,4-difluorophenyl)thiazol-2-amine | Descriptor: | 4-[3,4-bis(fluoranyl)phenyl]-1,3-thiazol-2-amine, Malate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Romero, A.R, Calderone, V, Gentili, M, Lunev, S, Groves, M, Popowicz, G, Domling, A, Sattler, M. | Deposit date: | 2019-04-01 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Fragment-Based Approach Identifies an Allosteric Pocket that Impacts Malate Dehydrogenase Activity Commun Biol, 2021
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5NA9
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5NJ1
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5N26
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5NGR
| Crystal structure of human MTH1 in complex with fragment inhibitor 8-(methylsulfanyl)-7H-purin-6-amine | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, 8-methylsulfanyl-7~{H}-purin-6-amine, SULFATE ION | Authors: | Gustafsson, R, Rudling, A, Almlof, I, Homan, E, Scobie, M, Warpman Berglund, U, Helleday, T, Carlsson, J, Stenmark, P. | Deposit date: | 2017-03-20 | Release date: | 2017-10-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space. J. Med. Chem., 60, 2017
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2KV7
| NMR solution structure of a soluble PrgI mutant from Salmonella Typhimurium | Descriptor: | Protein prgI | Authors: | Schmidt, H, Poyraz, O, Seidel, K, Delissen, F, Ader, C, Tenenboim, H, Goosmann, C, Laube, B, Thuenemann, A.F, Zychlinski, A, Baldus, M, Lange, A, Griesinger, C, Kolbe, M. | Deposit date: | 2010-03-09 | Release date: | 2010-06-16 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Protein refolding is required for assembly of the type three secretion needle. Nat.Struct.Mol.Biol., 17, 2010
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6WYA
| RTX (Reverse Transcription Xenopolymerase) in complex with a DNA duplex and dAMPNPP | Descriptor: | 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Choi, W.S, He, P, Pothukuchy, A, Gollihar, J, Ellington, A.D, Yang, W. | Deposit date: | 2020-05-12 | Release date: | 2020-08-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | How a B family DNA polymerase has been evolved to copy RNA. Proc.Natl.Acad.Sci.USA, 117, 2020
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2LJ7
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6WYB
| RTX (Reverse Transcription Xenopolymerase) in complex with an RNA/DNA hybrid | Descriptor: | 1,2-ETHANEDIOL, 3,3',3''-phosphanetriyltripropanoic acid, DNA polymerase, ... | Authors: | Choi, W.S, He, P, Pothukuchy, A, Gollihar, J, Ellington, A.D, Yang, W. | Deposit date: | 2020-05-12 | Release date: | 2020-08-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | How a B family DNA polymerase has been evolved to copy RNA. Proc.Natl.Acad.Sci.USA, 117, 2020
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6WY8
| Tcur3481-Tcur3483 steroid ACAD | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Acyl-CoA dehydrogenase domain protein Tcur3481, Acyl-CoA dehydrogenase domain protein Tcur3483, ... | Authors: | Kimber, M.S, Stirling, A.J, Seah, S.Y.K. | Deposit date: | 2020-05-12 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Key Glycine in Bacterial Steroid-Degrading Acyl-CoA Dehydrogenases Allows Flavin-Ring Repositioning and Modulates Substrate Side Chain Specificity. Biochemistry, 59, 2020
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7Z57
| Crystal structure of Human Serum Albumin in complex with surfactant GenX (2,3,3,3-tetrafluoro-2-(heptafluoropropoxy) propanoate) | Descriptor: | (2R)-2,3,3,3-tetrakis(fluoranyl)-2-[1,1,2,2,3,3,3-heptakis(fluoranyl)propoxy]propanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Albumin, ... | Authors: | Liberi, S, Moro, G, Vascon, F, Linciano, S, De Toni, L, Angelin, A, Cendron, L. | Deposit date: | 2022-03-08 | Release date: | 2022-10-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Investigation of the Interaction between Human Serum Albumin and Branched Short-Chain Perfluoroalkyl Compounds. Chem.Res.Toxicol., 35, 2022
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4H1O
| Crystal structure of the tyrosine phosphatase SHP-2 with D61G mutation | Descriptor: | 1,2-ETHANEDIOL, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battaile, K, Chirgadze, N.Y. | Deposit date: | 2012-09-11 | Release date: | 2013-09-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of the tyrosine phosphatase SHP-2 with D61G mutation To be Published
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4H34
| Crystal structure of the tyrosine phosphatase SHP-2 with Q506P mutation | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battaile, K, Chirgadze, N.Y. | Deposit date: | 2012-09-13 | Release date: | 2013-10-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of the tyrosine phosphatase SHP-2 with Q506P mutation To be Published
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4GWF
| Crystal structure of the tyrosine phosphatase SHP-2 with Y279C mutation | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battaile, K, Chirgadze, N.Y. | Deposit date: | 2012-09-03 | Release date: | 2013-09-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the tyrosine phosphatase SHP-2 with Y279C mutation TO BE PUBLISHED
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9ENZ
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9EO8
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9EO5
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2KPA
| Specific motifs of the V-ATPase a2-subunit isoform interact with catalytic and regulatory domains of ARNO | Descriptor: | ARNO(375-400) | Authors: | Merkulova, M, Bakulina, A, Thaker, Y.R, Gruber, G, Marshansky, V. | Deposit date: | 2009-10-11 | Release date: | 2010-03-02 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Specific motifs of the V-ATPase a2-subunit isoform interact with catalytic and regulatory domains of ARNO Biochim.Biophys.Acta, 2010
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8OQC
| Dirhodium tetraacetate/ribonuclease A adduct in the P3221 space group (1 h soaking) | Descriptor: | CHLORIDE ION, FORMIC ACID, Ribonuclease pancreatic, ... | Authors: | Loreto, D, Merlino, A, Maity, B, Ueno, T. | Deposit date: | 2023-04-12 | Release date: | 2023-06-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Cross-Linked Crystals of Dirhodium Tetraacetate/RNase A Adduct Can Be Used as Heterogeneous Catalysts. Inorg.Chem., 62, 2023
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8VL8
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9EO2
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