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PDB: 37 件
6E0Q
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BU of 6e0q by Molmil
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
分子名称: 1,2-ETHANEDIOL, 4,6-dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid, MANGANESE (II) ION, ...
著者Dick, B.L, Morrison, C.N, Cohen, S.M.
登録日2018-07-06
公開日2018-11-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-Activity Relationships in Metal-Binding Pharmacophores for Influenza Endonuclease.
J. Med. Chem., 61, 2018
6DZQ
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BU of 6dzq by Molmil
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
分子名称: 1,2-ETHANEDIOL, 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid, MANGANESE (II) ION, ...
著者Dick, B.L, Morrison, C.N, Cohen, S.M.
登録日2018-07-05
公開日2018-11-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-Activity Relationships in Metal-Binding Pharmacophores for Influenza Endonuclease.
J. Med. Chem., 61, 2018
6E6V
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BU of 6e6v by Molmil
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
分子名称: 1,2-ETHANEDIOL, 3-hydroxy-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, ...
著者Dick, B.L, Morrison, C.N, Credille, C.V, Cohen, S.M.
登録日2018-07-25
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
6E6W
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BU of 6e6w by Molmil
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
分子名称: 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
著者Dick, B.L, Morrison, C.N, Credille, C.V, Cohen, S.M.
登録日2018-07-25
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
6E6X
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BU of 6e6x by Molmil
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
分子名称: 1,2-ETHANEDIOL, 5-hydroxy-2-methyl-1-[4-(1H-tetrazol-5-yl)phenyl]pyridin-4(1H)-one, MANGANESE (II) ION, ...
著者Dick, B.L, Morrison, C.N, Credille, C.V, Cohen, S.M.
登録日2018-07-25
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
5THJ
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BU of 5thj by Molmil
Crystal Structure of 2-hydroxycyclohepta-2,4,6-trien-1-one bound to human carbonic anhydrase 2
分子名称: 2-HYDROXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE, CITRIC ACID, Carbonic anhydrase 2, ...
著者Dick, B, Cohen, S.
登録日2016-09-29
公開日2017-04-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Effect of donor atom identity on metal-binding pharmacophore coordination.
J. Biol. Inorg. Chem., 22, 2017
5TH4
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BU of 5th4 by Molmil
Crystal Structure of 1-hydroxypyridine-2(1H)-thione bound to human carbonic anhydrase 2 L198G
分子名称: 1-hydroxy-2-sulfanylpyridinium, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Dick, B, Cohen, S.
登録日2016-09-29
公開日2017-04-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Effect of donor atom identity on metal-binding pharmacophore coordination.
J. Biol. Inorg. Chem., 22, 2017
5THI
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BU of 5thi by Molmil
Crystal Structure of 2-hydroxycyclohepta-2,4,6-trien-1-one bound to human carbonic anhydrase 2 L198G
分子名称: 2-HYDROXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE, CITRIC ACID, Carbonic anhydrase 2, ...
著者Dick, B, Cohen, S.
登録日2016-09-29
公開日2017-04-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Effect of donor atom identity on metal-binding pharmacophore coordination.
J. Biol. Inorg. Chem., 22, 2017
5TI0
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BU of 5ti0 by Molmil
Crystal Structure of 2-Hydroxycyclohepta-2,4,6-triene-1-thione bound to human carbonic anhydrase 2 L198G
分子名称: 2-hydroxycyclohepta-2,4,6-triene-1-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Dick, B, Cohen, S.
登録日2016-09-30
公開日2017-04-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Effect of donor atom identity on metal-binding pharmacophore coordination.
J. Biol. Inorg. Chem., 22, 2017
5THN
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BU of 5thn by Molmil
Crystal Structure of 2-Hydroxycyclohepta-2,4,6-triene-1-thione bound to human carbonic anhydrase 2
分子名称: 2-hydroxycyclohepta-2,4,6-triene-1-thione, CITRIC ACID, Carbonic anhydrase 2, ...
著者Dick, B, Cohen, S.
登録日2016-09-29
公開日2017-04-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Effect of donor atom identity on metal-binding pharmacophore coordination.
J. Biol. Inorg. Chem., 22, 2017
6DCZ
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BU of 6dcz by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-4-oxo-4H-pyran-2-carboxylic acid
分子名称: 3-hydroxy-4-oxo-4H-pyran-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
著者Dick, B.L, Morrison, C.N, Cohen, S.M.
登録日2018-05-08
公開日2018-11-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structure-Activity Relationships in Metal-Binding Pharmacophores for Influenza Endonuclease.
J. Med. Chem., 61, 2018
6DCY
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BU of 6dcy by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 5-hydroxy-2-methyl-4-oxo-4H-pyran-3-carboxylic acid
分子名称: 5-hydroxy-2-methyl-4-oxo-4H-pyran-3-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
著者Dick, B.L, Morrison, C.N, Cohen, S.M.
登録日2018-05-08
公開日2018-11-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structure-Activity Relationships in Metal-Binding Pharmacophores for Influenza Endonuclease.
J. Med. Chem., 61, 2018
6E3M
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BU of 6e3m by Molmil
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
分子名称: 1,2-ETHANEDIOL, 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, ...
著者Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M.
登録日2018-07-14
公開日2019-07-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
6E3N
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BU of 6e3n by Molmil
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
分子名称: 3-hydroxy-6-(2-methylphenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
著者Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M.
登録日2018-07-14
公開日2019-07-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
6E3O
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BU of 6e3o by Molmil
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
分子名称: 6-(2-ethylphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
著者Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M.
登録日2018-07-14
公開日2019-07-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
6E3P
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BU of 6e3p by Molmil
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
分子名称: 3-hydroxy-4-oxo-6-[3-(1H-tetrazol-5-yl)phenyl]-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
著者Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M.
登録日2018-07-14
公開日2019-07-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
6E4C
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BU of 6e4c by Molmil
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
分子名称: 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, ...
著者Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M.
登録日2018-07-17
公開日2019-07-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
6NY9
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BU of 6ny9 by Molmil
Alpha/beta hydrolase domain-containing protein 10 from mouse
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Mycophenolic acid acyl-glucuronide esterase, mitochondrial, ...
著者Cao, Y, Rice, P.A, Dickinson, B.C.
登録日2019-02-11
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献ABHD10 is an S-depalmitoylase affecting redox homeostasis through peroxiredoxin-5.
Nat.Chem.Biol., 15, 2019
5TDH
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BU of 5tdh by Molmil
The crystal structure of the dominant negative mutant G protein alpha(i)-1-beta-1-gamma-2 G203A/A326S
分子名称: 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, ...
著者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.
登録日2016-09-19
公開日2016-11-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献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
4L59
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BU of 4l59 by Molmil
Crystal structure of the 3-MBT repeat domain of L3MBTL3 and UNC2533 complex
分子名称: 4-(pyrrolidin-1-yl)-1-{4-[2-(pyrrolidin-1-yl)ethyl]phenyl}piperidine, Lethal(3)malignant brain tumor-like protein 3, SULFATE ION, ...
著者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)
登録日2013-06-10
公開日2013-07-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献The structure-activity relationships of L3MBTL3 inhibitors: flexibility of the dimer interface.
Medchemcomm, 4, 2013
6V2R
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BU of 6v2r by Molmil
Crystal Structure of chromodomain of CBX7 mutant V13A in complex with inhibitor UNC3866
分子名称: Chromobox protein homolog 7, UNC3866, UNKNOWN ATOM OR ION
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2019-11-25
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Basis for the Binding Selectivity of Human CDY Chromodomains.
Cell Chem Biol, 27, 2020
5EQ0
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BU of 5eq0 by Molmil
Crystal Structure of chromodomain of CBX8 in complex with inhibitor UNC3866
分子名称: Chromobox protein homolog 8, 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2015-11-12
公開日2015-12-23
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献A cellular chemical probe targeting the chromodomains of Polycomb repressive complex 1.
Nat.Chem.Biol., 12, 2016
5EPK
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BU of 5epk by Molmil
Crystal Structure of chromodomain of CBX2 in complex with inhibitor UNC3866
分子名称: Chromobox protein homolog 2, 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 (1.8 Å)
主引用文献A cellular chemical probe targeting the chromodomains of Polycomb repressive complex 1.
Nat.Chem.Biol., 12, 2016
5EPL
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BU of 5epl by Molmil
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
7SGV
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BU of 7sgv by Molmil
Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder630 inhibitor
分子名称: CHLORIDE ION, N-(naphthalen-1-yl)pyridine-3-carboxamide, Papain-like protease, ...
著者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)
登録日2021-10-07
公開日2021-10-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder630 inhibitor
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