7K6U
| Carbonic Anhydrase IX mimic complexed with 4-(2-(3-(4-methylphenyl)ureido)ethylsulfonamido)benzenesulfonamide | 分子名称: | 4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Andring, J.T, Singh, S, McKenna, R. | 登録日 | 2020-09-21 | 公開日 | 2020-12-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.605 Å) | 主引用文献 | Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors. Eur.J.Med.Chem., 212, 2021
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5EPL
| Crystal Structure of chromodomain of CBX4 in complex with inhibitor UNC3866 | 分子名称: | E3 SUMO-protein ligase CBX4, UNKNOWN ATOM OR ION, unc3866 | 著者 | Liu, Y, Tempel, W, Walker, J.R, Stuckey, J.I, Dickson, B.M, James, L.I, Frye, S.V, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | 登録日 | 2015-11-11 | 公開日 | 2015-12-23 | 最終更新日 | 2019-11-27 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | A cellular chemical probe targeting the chromodomains of Polycomb repressive complex 1. Nat.Chem.Biol., 12, 2016
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8AXE
| Small molecule stabilizer for ERalpha and 14-3-3 (1074210) | 分子名称: | 14-3-3 protein sigma, 2-chloranyl-~{N}-[2-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]ethyl]ethanamide, Estrogen receptor, ... | 著者 | Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M. | 登録日 | 2022-08-31 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
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7QFF
| Peptide VACKSSQP in complex with human cathepsin V C25A mutant | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACE-VAL-ALA-CYS-LYS, CHLORIDE ION, ... | 著者 | Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D. | 登録日 | 2021-12-06 | 公開日 | 2022-12-21 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins. Commun Biol, 6, 2023
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6G2E
| X-ray structure of NSD3-PWWP1 in complex with compound 13 | 分子名称: | Histone-lysine N-methyltransferase NSD3, [3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)phenyl]methanamine | 著者 | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | 登録日 | 2018-03-23 | 公開日 | 2019-06-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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8AR4
| Small molecular stabilizer for ERalpha and 14-3-3 (1080300) | 分子名称: | 14-3-3 protein sigma, 2-chloranyl-N-[[1-[4-[(4-chlorophenyl)amino]-2,2,6,6-tetramethyl-oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ... | 著者 | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | 登録日 | 2022-08-15 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
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7K8M
| Structure of the SARS-CoV-2 receptor binding domain in complex with the human neutralizing antibody Fab fragment, C102 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C102 Fab Heavy Chain, C102 Fab Light Chain, ... | 著者 | Jette, C.A, Barnes, C.O, Bjorkman, P.J. | 登録日 | 2020-09-27 | 公開日 | 2020-10-21 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | SARS-CoV-2 neutralizing antibody structures inform therapeutic strategies. Nature, 588, 2020
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5UNZ
| Structure of rat neuronal nitric oxide synthase heme domain in complex with (R)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile | 分子名称: | 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2R)-2-(methylamino)propyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2017-01-31 | 公開日 | 2017-05-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
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7QFK
| Crystal structure of S-layer protein SlpX from Lactobacillus acidophilus, domain II, Co-Crystallization with HgCl2, Mutation Ser316Cys (aa 194-362) | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BROMIDE ION, CHLORIDE ION, ... | 著者 | Sagmeister, T, Pavkov-Keller, T, Buhlheller, C. | 登録日 | 2021-12-06 | 公開日 | 2022-12-21 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids. Proc.Natl.Acad.Sci.USA, 121, 2024
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8SC9
| Structure of PPARG in complex with MTX-531 | 分子名称: | N-[(5P)-2-chloro-5-(4-{[(1R)-1-phenylethyl]amino}quinazolin-6-yl)pyridin-3-yl]methanesulfonamide, Peroxisome proliferator-activated receptor gamma, SULFATE ION, ... | 著者 | Whitehead, C.E, Leopold, J. | 登録日 | 2023-04-05 | 公開日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (1.855 Å) | 主引用文献 | Structure of PPARG in complex with MTX-531 To Be Published
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8B15
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5UOC
| Structure of human endothelial nitric oxide synthase heme domain in complex with (S)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2S)-2-(methylamino)propyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | 著者 | Chreifi, G, Li, H, Poulos, T.L. | 登録日 | 2017-01-31 | 公開日 | 2017-05-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
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7QH5
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5ERT
| GephE in complex with Mn(2+) - ADP | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Kasaragod, V.B, Schindelin, H. | 登録日 | 2015-11-15 | 公開日 | 2016-05-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural Framework for Metal Incorporation during Molybdenum Cofactor Biosynthesis. Structure, 24, 2016
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8SC7
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5UPD
| Methyltransferase domain of human Wolf-Hirschhorn Syndrome Candidate 1-Like protein 1 (WHSC1L1) | 分子名称: | Histone-lysine N-methyltransferase NSD3, S-ADENOSYLMETHIONINE, UNKNOWN ATOM OR ION, ... | 著者 | Tempel, W, Yu, W, Dong, A, Cerovina, T, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | 登録日 | 2017-02-02 | 公開日 | 2017-02-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Methyltransferase domain of human Wolf-Hirschhorn Syndrome Candidate 1-Like protein 1 (WHSC1L1) To Be Published
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6G33
| Crystal structure of CLK1 in complex with 5-iodotubercidin | 分子名称: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Dual specificity protein kinase CLK1, IODIDE ION, ... | 著者 | Heroven, C, Chaikuad, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2018-03-24 | 公開日 | 2018-04-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times. Angew. Chem. Int. Ed. Engl., 57, 2018
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6Z8M
| Structure of [NiFeSe] hydrogenase G491S variant from Desulfovibrio vulgaris Hildenborough pressurized with Oxygen gas - structure G491S-O2 | 分子名称: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE (II) ION, ... | 著者 | Zacarias, S, Temporao, A, Carpentier, P, van der Linden, P, Pereira, I.A.C, Matias, P.M. | 登録日 | 2020-06-02 | 公開日 | 2020-09-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | 主引用文献 | Exploring the gas access routes in a [NiFeSe] hydrogenase using crystals pressurized with krypton and oxygen. J.Biol.Inorg.Chem., 25, 2020
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5EJ1
| Pre-translocation state of bacterial cellulose synthase | 分子名称: | (4S,7R)-7-(heptanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahexadecan-1-aminium 4-oxide, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), ... | 著者 | Moragn, J.L.W, Zimmer, J. | 登録日 | 2015-10-30 | 公開日 | 2016-03-30 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Observing cellulose biosynthesis and membrane translocation in crystallo. Nature, 531, 2016
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7QY9
| The structure of T.forsythia NanH with oseltamivir | 分子名称: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, BNR/Asp-box repeat protein | 著者 | Rafferty, J, Stafford, G, Satur, M. | 登録日 | 2022-01-27 | 公開日 | 2022-12-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Structural and functional characterisation of a stable, broad-specificity multimeric sialidase from the oral pathogen Tannerella forsythia. Biochem.J., 479, 2022
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6C6Q
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6G3D
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8AUS
| Small molecular stabilizer for ERalpha and 14-3-3 (1080297) | 分子名称: | 14-3-3 protein sigma, 2-chloranyl-~{N}-[[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-7-azaspiro[3.5]nonan-2-yl]methyl]ethanamide, Estrogen receptor, ... | 著者 | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | 登録日 | 2022-08-25 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
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6Z9A
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8AXG
| Crystal structure of Fusobacterium nucleatum fusolisin protease | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Fusolisin, ... | 著者 | Isupov, M.N, Wiener, R, Rouvinski, A, Fahoum, J, Kumar, M, Read, R.J. | 登録日 | 2022-08-31 | 公開日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Crystal structure of Fusobacterium nucleatum fusolisin protease To Be Published
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