5FBE
| COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND2 | Descriptor: | Complement factor D, GLYCEROL, methyl 2-[[[(2~{S})-2-[[3-(trifluoromethyloxy)phenyl]carbamoyl]pyrrolidin-1-yl]carbonylamino]methyl]benzoate | Authors: | Ostermann, N, Zink, F. | Deposit date: | 2015-12-14 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Small-molecule factor D inhibitors targeting the alternative complement pathway. Nat.Chem.Biol., 12, 2016
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1YX3
| NMR structure of Allochromatium vinosum DsrC: Northeast Structural Genomics Consortium target OP4 | Descriptor: | hypothetical protein DsrC | Authors: | Cort, J.R, Dahl, C, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2005-02-19 | Release date: | 2005-04-19 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Allochromatium vinosum DsrC: solution-state NMR structure, redox properties, and interaction with DsrEFH, a protein essential for purple sulfur bacterial sulfur oxidation. J.Mol.Biol., 382, 2008
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5FAH
| KALLIKREIN-7 IN COMPLEX WITH COMPOUND1 | Descriptor: | (2~{S})-~{N}2-[2-(4-methoxyphenyl)ethyl]-~{N}1-(naphthalen-1-ylmethyl)pyrrolidine-1,2-dicarboxamide, ACETATE ION, Kallikrein-7 | Authors: | Ostermann, N, Zink, F. | Deposit date: | 2015-12-11 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Small-molecule factor D inhibitors targeting the alternative complement pathway. Nat.Chem.Biol., 12, 2016
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4QGN
| Human acireductone dioxygenase with iron ion and L-methionine in active center | Descriptor: | 1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenase, ACETATE ION, CHLORIDE ION, ... | Authors: | Milaczewska, A.M, Chruszcz, M, Petkowski, J.J, Niedzialkowska, E, Minor, W, Borowski, T. | Deposit date: | 2014-05-23 | Release date: | 2015-05-27 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | On the Structure and Reaction Mechanism of Human Acireductone Dioxygenase. Chemistry, 24, 2018
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5MDP
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5MDR
| Crystal structure of in vitro folded Chitoporin VhChip from Vibrio harveyi in complex with chitohexaose | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitoporin, ... | Authors: | Zahn, M, van den Berg, B. | Deposit date: | 2016-11-13 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for chitin acquisition by marine Vibrio species. Nat Commun, 9, 2018
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5MDO
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5MDQ
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7WHG
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8OG5
| Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 1 | Descriptor: | 1,2-ETHANEDIOL, 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, ACETATE ION, ... | Authors: | Schroeder, M, Vulpetti, A, Renatus, M. | Deposit date: | 2023-03-19 | Release date: | 2023-06-14 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field. Acs Med.Chem.Lett., 14, 2023
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8OG6
| Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 1 | Descriptor: | 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, ACETATE ION, DDB1- and CUL4-associated factor 1 | Authors: | Schroeder, M, Vulpetti, A, Renatus, M. | Deposit date: | 2023-03-19 | Release date: | 2023-06-14 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.245 Å) | Cite: | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field. Acs Med.Chem.Lett., 14, 2023
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8OG8
| Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 3 | Descriptor: | 1,2-ETHANEDIOL, 5-(2-methyl-1-phenyl-propan-2-yl)imidazo[2,1-a]isoquinoline, ACETATE ION, ... | Authors: | Schroeder, M, Vulpetti, A, Renatus, M. | Deposit date: | 2023-03-19 | Release date: | 2023-06-14 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field. Acs Med.Chem.Lett., 14, 2023
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8OGC
| Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 11 | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclopentyl]quinazolin-7-yl]piperazin-1-yl]ethanone, ACETATE ION, ... | Authors: | Schroeder, M, Vulpetti, A, Renatus, M. | Deposit date: | 2023-03-19 | Release date: | 2023-06-14 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field. Acs Med.Chem.Lett., 14, 2023
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8OG9
| Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 4 | Descriptor: | 5-[1-(4-chlorophenyl)cyclopropyl]imidazo[2,1-a]isoquinoline, DDB1- and CUL4-associated factor 1 | Authors: | Schroeder, M, Vulpetti, A, Renatus, M. | Deposit date: | 2023-03-19 | Release date: | 2023-06-14 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.945 Å) | Cite: | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field. Acs Med.Chem.Lett., 14, 2023
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8OGB
| Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 8 | Descriptor: | 1,2-ETHANEDIOL, DDB1- and CUL4-associated factor 1, DIMETHYL SULFOXIDE, ... | Authors: | Schroeder, M, Vulpetti, A, Renatus, M. | Deposit date: | 2023-03-19 | Release date: | 2023-06-14 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field. Acs Med.Chem.Lett., 14, 2023
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8OG7
| Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 2 | Descriptor: | (4~{R})-4-[3-(4-chloranylphenoxy)phenyl]pyrrolidin-2-imine, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Schroeder, M, Vulpetti, A, Renatus, M. | Deposit date: | 2023-03-19 | Release date: | 2023-06-14 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field. Acs Med.Chem.Lett., 14, 2023
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8OGA
| Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 6 | Descriptor: | 1,2-ETHANEDIOL, 5-[1-(4-methoxyphenyl)cyclopropyl]-8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline, DDB1- and CUL4-associated factor 1, ... | Authors: | Schroeder, M, Vulpetti, A, Renatus, M. | Deposit date: | 2023-03-19 | Release date: | 2023-06-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field. Acs Med.Chem.Lett., 14, 2023
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7WHF
| Heimdallarchaeota gelsolin (2DGel) bound to rabbit actin | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Robinson, R.C, Akil, C. | Deposit date: | 2021-12-30 | Release date: | 2022-09-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and biochemical evidence for the emergence of a calcium-regulated actin cytoskeleton prior to eukaryogenesis Commun Biol, 5, 2022
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5MDS
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4UNR
| Mtb TMK in complex with compound 23 | Descriptor: | 4-[3-cyano-2-oxo-7-(1H-pyrazol-4-yl)-5,6-dihydro-1H-benzo[h]quinolin-4-yl]benzoic acid, MAGNESIUM ION, Thymidylate kinase | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | Deposit date: | 2014-05-30 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
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4UNN
| Mtb TMK in complex with compound 8 | Descriptor: | 4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]benzoic acid, THYMIDYLATE KINASE | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | Deposit date: | 2014-05-29 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
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4UNP
| Mtb TMK in complex with compound 34 | Descriptor: | 5-methyl-7-propyl-1,6-naphthyridin-2(1H)-one, THYMIDYLATE KINASE | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | Deposit date: | 2014-05-30 | Release date: | 2015-01-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
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4UNQ
| Mtb TMK in complex with compound 36 | Descriptor: | 4-[(R)-methylsulfinyl]-2-oxo-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydropyridine-3-carbonitrile, SODIUM ION, THYMIDYLATE KINASE | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | Deposit date: | 2014-05-30 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
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4UNS
| Mtb TMK in complex with compound 40 | Descriptor: | N-[4-(3-CYANO-7-ETHYL-5-METHYL-2-OXO-1H-1,6-NAPHTHYRIDIN-4-YL)PHENYL]METHANESULFONAMIDE, SODIUM ION, THYMIDYLATE KINASE | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | Deposit date: | 2014-05-30 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
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8UIP
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