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PDB: 597 件
6HEY
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BU of 6hey by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATNK002
分子名称: 3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
登録日2018-08-20
公開日2019-08-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.367 Å)
主引用文献Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
6HEU
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BU of 6heu by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative AT058
分子名称: 3-[(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
登録日2018-08-20
公開日2019-08-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.719 Å)
主引用文献Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
4Y9P
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BU of 4y9p by Molmil
PA3825-EAL Ca-CdG Structure
分子名称: 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), CALCIUM ION, PA3825-EAL
著者Bellini, D, Horrell, S, Wagner, A, Strange, R, Walsh, M.A.
登録日2015-02-17
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献MucR and PA3825 EAL-phosphodiesterase domains from Pseudomonas aeruginosa suggest roles for three metals in the active site
To Be Published
7AT5
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BU of 7at5 by Molmil
Structure of protein kinase ck2 catalytic subunit (csnk2a1 gene product) in complex with the bivalent inhibitor KN2
分子名称: 1,2-ETHANEDIOL, 2-(3,4-dichlorophenyl)ethanamine, Casein kinase II subunit alpha, ...
著者Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K.
登録日2020-10-29
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
7ATV
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BU of 7atv by Molmil
Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the bivalent inhibitor KN2
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha', ...
著者Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K.
登録日2020-10-31
公開日2021-08-04
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
7AT9
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BU of 7at9 by Molmil
Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the ATP-competitive inhibitor MB002 and the alphaD-pocket ligand 3,4-dichlorophenethylamine
分子名称: 1,2-ETHANEDIOL, 2-(3,4-dichlorophenyl)ethanamine, 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol, ...
著者Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K.
登録日2020-10-29
公開日2021-08-04
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
7AIL
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BU of 7ail by Molmil
Ribonucleotide Reductase R2m protein from Aquifex aeolicus
分子名称: FE (II) ION, Ribonucleoside-diphosphate reductase subunit beta
著者Rehling, D, Scaletti, E.R, Stenmark, P.
登録日2020-09-27
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structural and Biochemical Investigation of Class I Ribonucleotide Reductase from the Hyperthermophile Aquifex aeolicus.
Biochemistry, 61, 2022
7AGJ
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BU of 7agj by Molmil
Ribonucleotide Reductase R1 protein from Aquifex aeolicus
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Rehling, D, Scaletti, E.R, Stenmark, P.
登録日2020-09-22
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural and Biochemical Investigation of Class I Ribonucleotide Reductase from the Hyperthermophile Aquifex aeolicus.
Biochemistry, 61, 2022
6Q7E
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BU of 6q7e by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL14
分子名称: 3-[[4-imidazol-1-yl-6-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
登録日2018-12-13
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.059 Å)
主引用文献Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
6Q7F
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BU of 6q7f by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL18
分子名称: 3-[(4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
登録日2018-12-13
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.204 Å)
主引用文献Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
6Q7C
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BU of 6q7c by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL11
分子名称: 3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
登録日2018-12-13
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.049 Å)
主引用文献Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
6Q7D
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BU of 6q7d by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL13
分子名称: 3-[[4-imidazol-1-yl-6-(4-oxidanylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
登録日2018-12-13
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.978 Å)
主引用文献Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
7AIK
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BU of 7aik by Molmil
Ribonucleotide Reductase R2 protein from Aquifex aeolicus
分子名称: FE (II) ION, Ribonucleoside-diphosphate reductase subunit beta,Ribonucleoside-diphosphate reductase subunit beta
著者Rehling, D, Scaletti, E.R, Stenmark, P.
登録日2020-09-27
公開日2021-11-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and Biochemical Investigation of Class I Ribonucleotide Reductase from the Hyperthermophile Aquifex aeolicus.
Biochemistry, 61, 2022
6HR9
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BU of 6hr9 by Molmil
Nitrocefin acylation of both catalytic serines of the Y409 mutant of penicillin-binding protein 3 from P. aeruginosa
分子名称: Nitrocefin - open form, Peptidoglycan D,D-transpeptidase FtsI
著者Bellini, D, Dowson, C.G.
登録日2018-09-26
公開日2019-10-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Nitrocefin acylation of both catalytic serines of penicillin-binding protein 3 from P. aeruginosa
To Be Published
6HZI
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BU of 6hzi by Molmil
Apo structure of TP domain from Burkholderia pseudomallei penicillin-binding protein 3
分子名称: Peptidoglycan D,D-transpeptidase FtsI
著者Bellini, D, Koekemoer, L, Newman, H, Dowson, C.G.
登録日2018-10-23
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Apo structure of TP domain from Burkholderia pseudomallei penicillin-binding protein 3
To Be Published
6HZR
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BU of 6hzr by Molmil
Apo structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3
分子名称: Peptidoglycan D,D-transpeptidase FtsI
著者Bellini, D, Dowson, C.G.
登録日2018-10-23
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Novel and Improved Crystal Structures of H. influenzae, E. coli and P. aeruginosa Penicillin-Binding Protein 3 (PBP3) and N. gonorrhoeae PBP2: Toward a Better Understanding of beta-Lactam Target-Mediated Resistance.
J.Mol.Biol., 431, 2019
6Q7B
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BU of 6q7b by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL09
分子名称: 3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
登録日2018-12-13
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.009 Å)
主引用文献Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
6HZJ
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BU of 6hzj by Molmil
Apo structure of TP domain from clinical penicillin-resistant mutant Neisseria gonorrhoea strain 6140 Penicillin-Binding Protein 2 (PBP2)
分子名称: Probable peptidoglycan D,D-transpeptidase PenA
著者Bellini, D, Koekemoer, L, Newman, H, Dowson, C.G.
登録日2018-10-23
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Novel and Improved Crystal Structures of H. influenzae, E. coli and P. aeruginosa Penicillin-Binding Protein 3 (PBP3) and N. gonorrhoeae PBP2: Toward a Better Understanding of beta-Lactam Target-Mediated Resistance.
J.Mol.Biol., 431, 2019
6Q7G
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BU of 6q7g by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATHA01
分子名称: 3-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
登録日2018-12-13
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.047 Å)
主引用文献Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
6HR4
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BU of 6hr4 by Molmil
Apo form of penicillin-binding protein 3 from P. aeruginosa
分子名称: Peptidoglycan D,D-transpeptidase FtsI
著者Bellini, D, Dowson, C.G.
登録日2018-09-26
公開日2019-10-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Apo form of penicillin-binding protein 3 from P. aeruginosa
To Be Published
6HR6
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BU of 6hr6 by Molmil
Nitrocefin reacted with catalytic serine (Ser294) of penicillin-binding protein 3 from Pseudomonas aeruginosa
分子名称: Nitrocefin - open form, Peptidoglycan D,D-transpeptidase FtsI
著者Bellini, D, Dowson, C.G.
登録日2018-09-26
公開日2019-10-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Nitrocefin acylation of single catalytic serine of penicillin-binding protein 3 from P. aeruginosa
To Be Published
6HZQ
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BU of 6hzq by Molmil
Apo structure of TP domain from Escherichia coli Penicillin-Binding Protein 3
分子名称: Peptidoglycan D,D-transpeptidase FtsI
著者Bellini, D, Koekemoer, L, Newman, H, Dowson, C.G.
登録日2018-10-23
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Novel and Improved Crystal Structures of H. influenzae, E. coli and P. aeruginosa Penicillin-Binding Protein 3 (PBP3) and N. gonorrhoeae PBP2: Toward a Better Understanding of beta-Lactam Target-Mediated Resistance.
J.Mol.Biol., 431, 2019
4Y9M
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BU of 4y9m by Molmil
PA3825-EAL Metal-Free-Apo Structure
分子名称: PA3825-EAL, PHOSPHATE ION
著者Bellini, D, Horrell, S, Wagner, A, Strange, R, Walsh, M.A.
登録日2015-02-17
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases.
Sci Rep, 7, 2017
4Y9O
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PA3825-EAL Metal-Free-Apo Structure - Manganese Co-crystallisation
分子名称: PA3825-EAL, PHOSPHATE ION
著者Bellini, D, Horrell, S, Wagner, A, Strange, R, Walsh, M.A.
登録日2015-02-17
公開日2016-09-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献MucR and PA3825 EAL-phosphodiesterase domains from Pseudomonas aeruginosa suggest roles for three metals in the active site
To Be Published
4Y9N
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BU of 4y9n by Molmil
PA3825-EAL Metal-Free-Apo Structure - Magnesium Co-crystallisation
分子名称: PA3825-EAL, PHOSPHATE ION
著者Bellini, D, Horrell, S, Wagner, A, Strange, R, Walsh, M.A.
登録日2015-02-17
公開日2016-03-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structure of PA3825 from P. aeruginosa bound to cyclic di-GMP and pGpG: new insights for a potential three-metal catalytic mechanism of EAL domains
To Be Published

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件を2024-09-18に公開中

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