6R8Q
| STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A BENZOTRIAZOLE FRAGMENT | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ... | Authors: | Ruza, R.R, Vecchia, L, Jones, E.Y. | Deposit date: | 2019-04-02 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of 2-phenoxyacetamides as inhibitors of the Wnt-depalmitoleating enzyme NOTUM from an X-ray fragment screen. Medchemcomm, 10, 2019
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6R8P
| Notum fragment 723 | Descriptor: | 2-(2-methylphenoxy)-~{N}-pyridin-3-yl-ethanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2019-04-02 | Release date: | 2019-05-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Discovery of 2-phenoxyacetamides as inhibitors of the Wnt-depalmitoleating enzyme NOTUM from an X-ray fragment screen. Medchemcomm, 10, 2019
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6R8R
| Structure of the Wnt deacylase Notum in complex with isoquinoline 45 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Vecchia, L, Zhao, Y, Ruza, R.R, Jones, E.Y. | Deposit date: | 2019-04-02 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Discovery of 2-phenoxyacetamides as inhibitors of the Wnt-depalmitoleating enzyme NOTUM from an X-ray fragment screen. Medchemcomm, 10, 2019
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8TN9
| Structural architecture of the acidic region of the B domain of coagulation factor V | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor V | Authors: | Mohammed, B.M, Basore, K, Summers, B, Pelc, L.A, Di Cera, E. | Deposit date: | 2023-08-01 | Release date: | 2023-10-04 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Structural architecture of the acidic region of the B domain of coagulation factor V. J.Thromb.Haemost., 22, 2024
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6WHG
| PI3P and calcium bound full-length TRPY1 in detergent | Descriptor: | (2R)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1S,2S,3S,4S,5S,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl hexadecanoate, CALCIUM ION, Calcium channel YVC1 | Authors: | Ahmed, T, Moiseenkova-Bell, V.Y. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structure of the ancient TRPY1 channel from Saccharomyces cerevisiae reveals mechanisms of modulation by lipids and calcium. Structure, 30, 2022
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3BP5
| Crystal structure of the mouse PD-1 and PD-L2 complex | Descriptor: | GLYCEROL, Programmed cell death 1 ligand 2, Programmed cell death protein 1 | Authors: | Yan, Q, Lazar-Molnar, E, Cao, E, Ramagopal, U.A, Toro, R, Nathenson, S.G, Almo, S.C. | Deposit date: | 2007-12-18 | Release date: | 2008-07-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the complex between programmed death-1 (PD-1) and its ligand PD-L2. Proc.Natl.Acad.Sci.Usa, 105, 2008
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5EWZ
| Small-molecule stabilization of the 14-3-3/Gab2 PPI interface | Descriptor: | 14-3-3 protein zeta/delta, BENZOIC ACID, GRB2-associated-binding protein 2 | Authors: | Bier, D, Ottmann, C. | Deposit date: | 2015-11-23 | Release date: | 2016-05-04 | Last modified: | 2018-12-19 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Small-Molecule Stabilization of the 14-3-3/Gab2 Protein-Protein Interaction (PPI) Interface. Chemmedchem, 11, 2016
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5EXA
| Small-molecule stabilization of the 14-3-3/Gab2 PPI interface | Descriptor: | 14-3-3 protein zeta/delta, BENZOIC ACID, Fusicoccin A-THF derivative, ... | Authors: | Bier, D, Ottmann, C. | Deposit date: | 2015-11-23 | Release date: | 2016-05-04 | Last modified: | 2018-12-19 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Small-Molecule Stabilization of the 14-3-3/Gab2 Protein-Protein Interaction (PPI) Interface. Chemmedchem, 11, 2016
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3BOV
| Crystal structure of the receptor binding domain of mouse PD-L2 | Descriptor: | FORMIC ACID, Programmed cell death 1 ligand 2, SODIUM ION | Authors: | Lazar-Molnar, E, Ramagopal, U, Cao, E, Toro, R, Nathenson, S.G, Almo, S.C. | Deposit date: | 2007-12-17 | Release date: | 2008-07-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Crystal structure of the complex between programmed death-1 (PD-1) and its ligand PD-L2. Proc.Natl.Acad.Sci.USA, 105, 2008
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2JAG
| L1-intermediate of halorhodopsin T203V | Descriptor: | CHLORIDE ION, Halorhodopsin, PALMITIC ACID, ... | Authors: | Gmelin, W, Zeth, K, Efremov, R, Heberle, J, Tittor, J, Oesterhelt, D. | Deposit date: | 2006-11-28 | Release date: | 2006-12-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | The crystal structure of the L1 intermediate of halorhodopsin at 1.9 angstroms resolution. Photochem. Photobiol., 83, 2007
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5FNE
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5FNB
| CRYSTAL STRUCTURE OF FUNGAL VERSATILE PEROXIDASE FROM PLEUROTUS ERYNGII SEPTUPLE MUTANT E37K, H39R, V160A, T184M, Q202L, D213A & G330R | Descriptor: | CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | Authors: | Medrano, F.J, Romero, A. | Deposit date: | 2015-11-13 | Release date: | 2016-07-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.792 Å) | Cite: | Unveiling the Basis of Alkaline Stability of an Evolved Versatile Peroxidase. Biochem.J., 473, 2016
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7DZF
| Intermediate of FABP with a delay time of 10 ns | Descriptor: | Fatty acid-binding protein, liver, PALMITIC ACID | Authors: | Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J. | Deposit date: | 2021-01-25 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser. Nat.Chem., 14, 2022
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7DZG
| Intermediate of FABP with a delay time of 30 ns | Descriptor: | Fatty acid-binding protein, liver, PALMITIC ACID | Authors: | Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J. | Deposit date: | 2021-01-25 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser. Nat.Chem., 14, 2022
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7DZI
| intermediate of FABP with a delay time of 300 ns | Descriptor: | Fatty acid-binding protein, liver, PALMITIC ACID | Authors: | Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J. | Deposit date: | 2021-01-25 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser. Nat.Chem., 14, 2022
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7DZH
| intermediate of FABP with a delay time of 100 ns | Descriptor: | Fatty acid-binding protein, liver, PALMITIC ACID | Authors: | Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J. | Deposit date: | 2021-01-25 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser. Nat.Chem., 14, 2022
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7AFW
| Beta-Catenin in complex with compound 6 | Descriptor: | 3-[(2~{R})-4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-2-yl]benzenecarbonitrile, Catenin beta-1 | Authors: | Boettcher, J, Kessler, D. | Deposit date: | 2020-09-21 | Release date: | 2020-12-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.814 Å) | Cite: | Getting a Grip on the Undrugged: Targeting beta-Catenin with Fragment-Based Methods. Chemmedchem, 16, 2021
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6KGR
| LSD1-FCPA-MPE N5 adduct model | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Niwa, H, Sato, S, Handa, N, Umehara, T. | Deposit date: | 2019-07-12 | Release date: | 2020-03-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors. Chemmedchem, 15, 2020
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6KGK
| LSD1-CoREST-S2101 five-membered ring adduct model | Descriptor: | 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Niwa, H, Sato, S, Sengoku, S, Umehara, T, Yokoyama, S. | Deposit date: | 2019-07-12 | Release date: | 2020-03-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors. Chemmedchem, 15, 2020
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6KGL
| LSD1-CoREST-S2101 N5 adduct model | Descriptor: | 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Niwa, H, Sato, S, Sengoku, S, Umehara, T, Yokoyama, S. | Deposit date: | 2019-07-12 | Release date: | 2020-03-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors. Chemmedchem, 15, 2020
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6KGO
| LSD1-S2157 five-membered ring adduct model | Descriptor: | 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Niwa, H, Sato, S, Umehara, T. | Deposit date: | 2019-07-12 | Release date: | 2020-03-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors. Chemmedchem, 15, 2020
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6KGP
| LSD1-S2157 N5 adduct model | Descriptor: | 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Niwa, H, Sato, S, Umehara, T. | Deposit date: | 2019-07-12 | Release date: | 2020-03-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors. Chemmedchem, 15, 2020
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4NO2
| Crystal structure of RQA_V phosphopeptide bound to HLA-A2 | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Mohammed, F, Stones, D.H, Willcox, B.E. | Deposit date: | 2013-11-19 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The antigenic identity of human class I MHC phosphopeptides is critically dependent upon phosphorylation status. Oncotarget, 8, 2017
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4NO0
| Crystal structure of non-phosphorylated form of RQA_V phosphopeptide bound to HLA-A2 in complex with LILRB1 | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Mohammed, F, Stones, D.H, Willcox, B.E. | Deposit date: | 2013-11-19 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The antigenic identity of human class I MHC phosphopeptides is critically dependent upon phosphorylation status. Oncotarget, 8, 2017
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6KGM
| LSD1-CoREST-S2116 five-membered ring adduct model | Descriptor: | 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Niwa, H, Sato, S, Umehara, T. | Deposit date: | 2019-07-12 | Release date: | 2020-03-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors. Chemmedchem, 15, 2020
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