2BKA
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![BU of 2bka by Molmil](/molmil-images/mine/2bka) | CC3(TIP30)Crystal Structure | 分子名称: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | El Omari, K, Bird, L.E, Nichols, C.E, Ren, J, Stammers, D.K. | 登録日 | 2005-02-14 | 公開日 | 2005-02-21 | 最終更新日 | 2016-12-21 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal Structure of Cc3 (Tip30): Implications for its Role as a Tumor Suppressor J.Biol.Chem., 280, 2005
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6Y7W
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![BU of 6y7w by Molmil](/molmil-images/mine/6y7w) | Fragment KCL_1337 in complex with MAP kinase p38-alpha | 分子名称: | (2~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-4-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonyl-2-methyl-morpholine-2-carboxamide, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, ... | 著者 | De Nicola, G.F, Nichols, C.E. | 登録日 | 2020-03-02 | 公開日 | 2020-03-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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6YCU
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![BU of 6ycu by Molmil](/molmil-images/mine/6ycu) | Fragment KCL_K777 in complex with MAP kinase p38-alpha | 分子名称: | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, 4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-propyl-benzenesulfonamide, CALCIUM ION, ... | 著者 | De Nicola, G.F, Nichols, C.E. | 登録日 | 2020-03-19 | 公開日 | 2020-04-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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6ZLR
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![BU of 6zlr by Molmil](/molmil-images/mine/6zlr) | |
1U8A
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![BU of 1u8a by Molmil](/molmil-images/mine/1u8a) | Crystal Structure of Mycobacterium Tuberculosis Shikimate Kinase in Complex with Shikimate and ADP at 2.15 Angstrom Resolution | 分子名称: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | 著者 | Dhaliwal, B, Nichols, C.E, Ren, J, Lockyer, M, Charles, I, Hawkins, A.R, Stammers, D.K. | 登録日 | 2004-08-05 | 公開日 | 2004-10-19 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Crystallographic studies of shikimate binding and induced conformational changes in Mycobacterium tuberculosis shikimate kinase. Febs Lett., 574, 2004
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6Y85
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![BU of 6y85 by Molmil](/molmil-images/mine/6y85) | |
6Y7Z
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![BU of 6y7z by Molmil](/molmil-images/mine/6y7z) | |
6Y8I
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![BU of 6y8i by Molmil](/molmil-images/mine/6y8i) | |
6Y82
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![BU of 6y82 by Molmil](/molmil-images/mine/6y82) | |
6Y8H
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![BU of 6y8h by Molmil](/molmil-images/mine/6y8h) | |
2CCG
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![BU of 2ccg by Molmil](/molmil-images/mine/2ccg) | Crystal structure of His-tagged S. aureus thymidylate kinase complexed with thymidine monophosphate (TMP) | 分子名称: | THYMIDINE-5'-PHOSPHATE, THYMIDYLATE KINASE | 著者 | Kotaka, M, Dhaliwal, B, Ren, J, Nichols, C.E, Angell, R, Lockyer, M, Hawkins, A.R, Stammers, D.K. | 登録日 | 2006-01-16 | 公開日 | 2006-03-08 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structures of S. Aureus Thymidylate Kinase Reveal an Atypical Active Site Configuration and an Intermediate Conformational State Upon Substrate Binding Protein Sci., 15, 2006
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2CCK
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![BU of 2cck by Molmil](/molmil-images/mine/2cck) | CRYSTAL STRUCTURE OF UNLIGANDED S. AUREUS THYMIDYLATE KINASE | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, THYMIDYLATE KINASE | 著者 | Kotaka, M, Dhaliwal, B, Ren, J, Nichols, C.E, Angell, R, Lockyer, M, Hawkins, A.R, Stammers, D.K. | 登録日 | 2006-01-16 | 公開日 | 2006-03-08 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Structures of S. Aureus Thymidylate Kinase Reveal an Atypical Active Site Configuration and an Intermediate Conformational State Upon Substrate Binding Protein Sci., 15, 2006
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2CCJ
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![BU of 2ccj by Molmil](/molmil-images/mine/2ccj) | Crystal structure of S. aureus thymidylate kinase complexed with thymidine monophosphate | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, THYMIDINE-5'-PHOSPHATE, ... | 著者 | Kotaka, M, Dhaliwal, B, Ren, J, Nichols, C.E, Angell, R, Lockyer, M, Hawkins, A.R, Stammers, D.K. | 登録日 | 2006-01-16 | 公開日 | 2006-03-08 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structures of S. Aureus Thymidylate Kinase Reveal an Atypical Active Site Configuration and an Intermediate Conformational State Upon Substrate Binding Protein Sci., 15, 2006
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2HNY
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![BU of 2hny by Molmil](/molmil-images/mine/2hny) | Crystal Structure of E138K Mutant HIV-1 Reverse Transcriptase in Complex with Nevirapine | 分子名称: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, MAGNESIUM ION, PHOSPHATE ION, ... | 著者 | Ren, J, Nichols, C.E, Stamp, A, Chamberlain, P.P, Stammers, D.K. | 登録日 | 2006-07-13 | 公開日 | 2006-09-05 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural insights into mechanisms of non-nucleoside drug resistance for HIV-1 reverse transcriptases mutated at codons 101 or 138. Febs J., 273, 2006
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2HND
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![BU of 2hnd by Molmil](/molmil-images/mine/2hnd) | Crystal Structure of K101E Mutant HIV-1 Reverse Transcriptase in Complex with Nevirapine | 分子名称: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, MAGNESIUM ION, PHOSPHATE ION, ... | 著者 | Ren, J, Nichols, C.E, Stamp, A, Chamberlain, P.P, Stammers, D.K. | 登録日 | 2006-07-12 | 公開日 | 2006-09-05 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural insights into mechanisms of non-nucleoside drug resistance for HIV-1 reverse transcriptases mutated at codons 101 or 138. Febs J., 273, 2006
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2HNZ
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![BU of 2hnz by Molmil](/molmil-images/mine/2hnz) | Crystal Structure of E138K Mutant HIV-1 Reverse Transcriptase in Complex with PETT-2 | 分子名称: | 1-[2-(4-ETHOXY-3-FLUOROPYRIDIN-2-YL)ETHYL]-3-(5-METHYLPYRIDIN-2-YL)THIOUREA, PHOSPHATE ION, Reverse transcriptase/ribonuclease H | 著者 | Ren, J, Nichols, C.E, Stamp, A, Chamberlain, P.P, Stammers, D.K. | 登録日 | 2006-07-13 | 公開日 | 2006-09-05 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural insights into mechanisms of non-nucleoside drug resistance for HIV-1 reverse transcriptases mutated at codons 101 or 138. Febs J., 273, 2006
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6Y7Y
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![BU of 6y7y by Molmil](/molmil-images/mine/6y7y) | Fragments KCL_771 and KCL_802 in complex with MAP kinase p38-alpha | 分子名称: | (2-azanyl-2-adamantyl)methanol, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide, ... | 著者 | De Nicola, G.F, Nichols, C.E. | 登録日 | 2020-03-02 | 公開日 | 2020-03-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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6Y81
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![BU of 6y81 by Molmil](/molmil-images/mine/6y81) | Fragment KCL_1088 in complex with MAP kinase p38-alpha | 分子名称: | (3~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-3-[[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonylamino]-3-phenyl-propanamide, 1,2-ETHANEDIOL, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, ... | 著者 | De Nicola, G.F, Nichols, C.E. | 登録日 | 2020-03-03 | 公開日 | 2020-03-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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6Y80
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![BU of 6y80 by Molmil](/molmil-images/mine/6y80) | Fragment KCL_916 in complex with MAP kinase p38-alpha | 分子名称: | 1-(2-adamantylmethyl)-3-ethyl-guanidine, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, ... | 著者 | De Nicola, G.F, Nichols, C.E. | 登録日 | 2020-03-02 | 公開日 | 2020-03-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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6YCW
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![BU of 6ycw by Molmil](/molmil-images/mine/6ycw) | Fragment KCL_K767 in complex with MAP kinase p38-alpha | 分子名称: | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, Mitogen-activated protein kinase 14, ... | 著者 | De Nicola, G.F, Nichols, C.E. | 登録日 | 2020-03-19 | 公開日 | 2020-04-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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6Y7X
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![BU of 6y7x by Molmil](/molmil-images/mine/6y7x) | Fragment KCL_771 in complex with MAP kinase p38-alpha | 分子名称: | (2-azanyl-2-adamantyl)methanol, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, ... | 著者 | De Nicola, G.F, Nichols, C.E. | 登録日 | 2020-03-02 | 公開日 | 2020-03-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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1LWE
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![BU of 1lwe by Molmil](/molmil-images/mine/1lwe) | CRYSTAL STRUCTURE OF M41L/T215Y MUTANT HIV-1 REVERSE TRANSCRIPTASE (RTMN) IN COMPLEX WITH NEVIRAPINE | 分子名称: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION | 著者 | Ren, J, Chamberlain, P.P, Nichols, C.E, Douglas, L, Stuart, D.I, Stammers, D.K. | 登録日 | 2002-05-31 | 公開日 | 2002-10-30 | 最終更新日 | 2021-11-10 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215. J.Virol., 76, 2002
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1LWF
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![BU of 1lwf by Molmil](/molmil-images/mine/1lwf) | CRYSTAL STRUCTURE OF A MUTANT HIV-1 REVERSE TRANSCRIPTASE (RTMQ+M184V: M41L/D67N/K70R/M184V/T215Y) IN COMPLEX WITH NEVIRAPINE | 分子名称: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 REVERSE TRANSCRIPTASE | 著者 | Ren, J, Chamberlain, P.P, Nichols, C.E, Douglas, L, Stuart, D.I, Stammers, D.K. | 登録日 | 2002-05-31 | 公開日 | 2002-10-30 | 最終更新日 | 2021-11-10 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215. J.Virol., 76, 2002
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1LW0
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![BU of 1lw0 by Molmil](/molmil-images/mine/1lw0) | CRYSTAL STRUCTURE OF T215Y MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE | 分子名称: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION | 著者 | Ren, J, Chamberlain, P.P, Nichols, C.E, Douglas, L, Stuart, D.I, Stammers, D.K. | 登録日 | 2002-05-30 | 公開日 | 2002-10-30 | 最終更新日 | 2021-11-10 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215. J.Virol., 76, 2002
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1LW2
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![BU of 1lw2 by Molmil](/molmil-images/mine/1lw2) | CRYSTAL STRUCTURE OF T215Y MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH 1051U91 | 分子名称: | 6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION | 著者 | Ren, J, Chamberlain, P.P, Nichols, C.E, Douglas, L, Stuart, D.I, Stammers, D.K. | 登録日 | 2002-05-30 | 公開日 | 2002-10-30 | 最終更新日 | 2021-11-10 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215. J.Virol., 76, 2002
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