6E0Q
| The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 4,6-dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid | Descriptor: | 1,2-ETHANEDIOL, 4,6-dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid, MANGANESE (II) ION, ... | Authors: | Dick, B.L, Morrison, C.N, Cohen, S.M. | Deposit date: | 2018-07-06 | Release date: | 2018-11-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure-Activity Relationships in Metal-Binding Pharmacophores for Influenza Endonuclease. J. Med. Chem., 61, 2018
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6DZQ
| The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid | Descriptor: | 1,2-ETHANEDIOL, 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid, MANGANESE (II) ION, ... | Authors: | Dick, B.L, Morrison, C.N, Cohen, S.M. | Deposit date: | 2018-07-05 | Release date: | 2018-11-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-Activity Relationships in Metal-Binding Pharmacophores for Influenza Endonuclease. J. Med. Chem., 61, 2018
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6E6V
| The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid | Descriptor: | 1,2-ETHANEDIOL, 3-hydroxy-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, ... | Authors: | Dick, B.L, Morrison, C.N, Credille, C.V, Cohen, S.M. | Deposit date: | 2018-07-25 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease. J.Med.Chem., 62, 2019
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6E6W
| The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-(2-methyl-4-(1H-tetrazol-5-yl)phenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid | Descriptor: | 3-hydroxy-6-[2-methyl-4-(1H-tetrazol-5-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein | Authors: | Dick, B.L, Morrison, C.N, Credille, C.V, Cohen, S.M. | Deposit date: | 2018-07-25 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease. J.Med.Chem., 62, 2019
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6E6X
| The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 1-(4-(1H-tetrazol-5-yl)phenyl)-5-hydroxy-2-methylpyridin-4(1H)-one | Descriptor: | 1,2-ETHANEDIOL, 5-hydroxy-2-methyl-1-[4-(1H-tetrazol-5-yl)phenyl]pyridin-4(1H)-one, MANGANESE (II) ION, ... | Authors: | Dick, B.L, Morrison, C.N, Credille, C.V, Cohen, S.M. | Deposit date: | 2018-07-25 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease. J.Med.Chem., 62, 2019
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5THJ
| Crystal Structure of 2-hydroxycyclohepta-2,4,6-trien-1-one bound to human carbonic anhydrase 2 | Descriptor: | 2-HYDROXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE, CITRIC ACID, Carbonic anhydrase 2, ... | Authors: | Dick, B, Cohen, S. | Deposit date: | 2016-09-29 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Effect of donor atom identity on metal-binding pharmacophore coordination. J. Biol. Inorg. Chem., 22, 2017
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5TH4
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5THI
| Crystal Structure of 2-hydroxycyclohepta-2,4,6-trien-1-one bound to human carbonic anhydrase 2 L198G | Descriptor: | 2-HYDROXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE, CITRIC ACID, Carbonic anhydrase 2, ... | Authors: | Dick, B, Cohen, S. | Deposit date: | 2016-09-29 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Effect of donor atom identity on metal-binding pharmacophore coordination. J. Biol. Inorg. Chem., 22, 2017
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5TI0
| Crystal Structure of 2-Hydroxycyclohepta-2,4,6-triene-1-thione bound to human carbonic anhydrase 2 L198G | Descriptor: | 2-hydroxycyclohepta-2,4,6-triene-1-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Dick, B, Cohen, S. | Deposit date: | 2016-09-30 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Effect of donor atom identity on metal-binding pharmacophore coordination. J. Biol. Inorg. Chem., 22, 2017
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5THN
| Crystal Structure of 2-Hydroxycyclohepta-2,4,6-triene-1-thione bound to human carbonic anhydrase 2 | Descriptor: | 2-hydroxycyclohepta-2,4,6-triene-1-thione, CITRIC ACID, Carbonic anhydrase 2, ... | Authors: | Dick, B, Cohen, S. | Deposit date: | 2016-09-29 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Effect of donor atom identity on metal-binding pharmacophore coordination. J. Biol. Inorg. Chem., 22, 2017
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6DCZ
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6DCY
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6E3M
| The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid | Descriptor: | 1,2-ETHANEDIOL, 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, ... | Authors: | Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M. | Deposit date: | 2018-07-14 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease. J.Med.Chem., 62, 2019
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6E3N
| The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-4-oxo-6-(o-tolyl)-1,4-dihydropyridine-2-carboxylic acid | Descriptor: | 3-hydroxy-6-(2-methylphenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein | Authors: | Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M. | Deposit date: | 2018-07-14 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease. J.Med.Chem., 62, 2019
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6E3O
| The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 6-(2-ethylphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid | Descriptor: | 6-(2-ethylphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein | Authors: | Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M. | Deposit date: | 2018-07-14 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease. J.Med.Chem., 62, 2019
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6E3P
| The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 6-(3-(1H-tetrazol-5-yl)phenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid | Descriptor: | 3-hydroxy-4-oxo-6-[3-(1H-tetrazol-5-yl)phenyl]-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein | Authors: | Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M. | Deposit date: | 2018-07-14 | Release date: | 2019-07-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease. J.Med.Chem., 62, 2019
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6E4C
| The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-(2-methyl-4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid | Descriptor: | 1,2-ETHANEDIOL, 3-hydroxy-6-[2-methyl-4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, ... | Authors: | Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M. | Deposit date: | 2018-07-17 | Release date: | 2019-07-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease. J.Med.Chem., 62, 2019
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6NY9
| Alpha/beta hydrolase domain-containing protein 10 from mouse | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Mycophenolic acid acyl-glucuronide esterase, mitochondrial, ... | Authors: | Cao, Y, Rice, P.A, Dickinson, B.C. | Deposit date: | 2019-02-11 | Release date: | 2020-01-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | ABHD10 is an S-depalmitoylase affecting redox homeostasis through peroxiredoxin-5. Nat.Chem.Biol., 15, 2019
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5TDH
| The crystal structure of the dominant negative mutant G protein alpha(i)-1-beta-1-gamma-2 G203A/A326S | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Liu, P, Jia, M.-Z, Zhou, X.E, de Waal, P.W, Dickson, B.M, Liu, B, Hou, L, Yin, Y.-T, Kang, Y.-Y, Shi, Y, Melcher, K, Xu, H.E, Jiang, Y. | Deposit date: | 2016-09-19 | Release date: | 2016-11-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The structural basis of the dominant negative phenotype of the G alpha i1 beta 1 gamma 2 G203A/A326S heterotrimer Acta Pharmacol.Sin., 37, 2016
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4L59
| Crystal structure of the 3-MBT repeat domain of L3MBTL3 and UNC2533 complex | Descriptor: | 4-(pyrrolidin-1-yl)-1-{4-[2-(pyrrolidin-1-yl)ethyl]phenyl}piperidine, Lethal(3)malignant brain tumor-like protein 3, SULFATE ION, ... | Authors: | Zhong, N, Dong, A, Ravichandran, M, Camerino, M.A, Dickson, B.M, James, L.I, Baughman, B.M, Norris, J.L, Kireev, D.B, Janzen, W.P, Graslund, S, Frye, S.V, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2013-06-10 | Release date: | 2013-07-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | The structure-activity relationships of L3MBTL3 inhibitors: flexibility of the dimer interface. Medchemcomm, 4, 2013
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6V2R
| Crystal Structure of chromodomain of CBX7 mutant V13A in complex with inhibitor UNC3866 | Descriptor: | Chromobox protein homolog 7, UNC3866, UNKNOWN ATOM OR ION | Authors: | 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) | Deposit date: | 2019-11-25 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Basis for the Binding Selectivity of Human CDY Chromodomains. Cell Chem Biol, 27, 2020
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5EQ0
| Crystal Structure of chromodomain of CBX8 in complex with inhibitor UNC3866 | Descriptor: | Chromobox protein homolog 8, UNKNOWN ATOM OR ION, unc3866 | Authors: | 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) | Deposit date: | 2015-11-12 | Release date: | 2015-12-23 | Last modified: | 2019-11-27 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | A cellular chemical probe targeting the chromodomains of Polycomb repressive complex 1. Nat.Chem.Biol., 12, 2016
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5EPK
| Crystal Structure of chromodomain of CBX2 in complex with inhibitor UNC3866 | Descriptor: | Chromobox protein homolog 2, UNKNOWN ATOM OR ION, unc3866 | Authors: | 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) | Deposit date: | 2015-11-11 | Release date: | 2015-12-23 | Last modified: | 2019-11-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A cellular chemical probe targeting the chromodomains of Polycomb repressive complex 1. Nat.Chem.Biol., 12, 2016
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5EPL
| Crystal Structure of chromodomain of CBX4 in complex with inhibitor UNC3866 | Descriptor: | E3 SUMO-protein ligase CBX4, UNKNOWN ATOM OR ION, unc3866 | Authors: | 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) | Deposit date: | 2015-11-11 | Release date: | 2015-12-23 | Last modified: | 2019-11-27 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | A cellular chemical probe targeting the chromodomains of Polycomb repressive complex 1. Nat.Chem.Biol., 12, 2016
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7SGV
| Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder630 inhibitor | Descriptor: | CHLORIDE ION, N-(naphthalen-1-yl)pyridine-3-carboxamide, Papain-like protease, ... | Authors: | Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-10-07 | Release date: | 2021-10-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder630 inhibitor To Be Published
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