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4GV1
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BU of 4gv1 by Molmil
PKB alpha in complex with AZD5363
分子名称: 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide, GLYCEROL, RAC-alpha serine/threonine-protein kinase
著者Addie, M, Ballard, P, Bird, G, Buttar, D, Currie, G, Davies, B, Debreczeni, J, Dry, H, Dudley, P, Greenwood, R, Hatter, G, Jestel, A, Johnson, P.D, Kettle, J.G, Lane, C, Lamont, G, Leach, A, Luke, R.W.A, Ogilvie, D, Page, K, Pass, M, Steinbacher, S, Steuber, H, Pearson, S, Ruston, L.
登録日2012-08-30
公開日2013-02-27
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Discovery of 4-Amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (AZD5363), an Orally Bioavailable, Potent Inhibitor of Akt Kinases.
J.Med.Chem., 56, 2013
7A16
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BU of 7a16 by Molmil
CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GSK2229238A (COMPOUND 43)
分子名称: 5,6-bis(fluoranyl)-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide, MANGANESE (II) ION, Methionine aminopeptidase 2, ...
著者Thorpe, J.H.
登録日2020-08-11
公開日2020-09-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based optimisation of orally active & reversible MetAP-2 inhibitors maintaining a tight 'molecular budget'.
Bioorg.Med.Chem.Lett., 30, 2020
7A15
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BU of 7a15 by Molmil
CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GSK2224863A (COMPOUND 42)
分子名称: 5-chloranyl-6-fluoranyl-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide, MANGANESE (II) ION, Methionine aminopeptidase 2, ...
著者Thorpe, J.H.
登録日2020-08-11
公開日2020-09-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-based optimisation of orally active & reversible MetAP-2 inhibitors maintaining a tight 'molecular budget'.
Bioorg.Med.Chem.Lett., 30, 2020
7A13
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BU of 7a13 by Molmil
CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GSK1978537A (COMPOUND 27)
分子名称: 5-chloranyl-3-(3-methoxyphenyl)-1~{H}-indole-2-carboxamide, MANGANESE (II) ION, Methionine aminopeptidase 2, ...
著者Thorpe, J.H.
登録日2020-08-11
公開日2020-09-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structure-based optimisation of orally active & reversible MetAP-2 inhibitors maintaining a tight 'molecular budget'.
Bioorg.Med.Chem.Lett., 30, 2020
7A12
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BU of 7a12 by Molmil
CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GW557358X (COMPOUND 9)
分子名称: 5-chloranyl-3-phenyl-1~{H}-indole-2-carboxamide, MANGANESE (II) ION, Methionine aminopeptidase 2, ...
著者Thorpe, J.H.
登録日2020-08-11
公開日2020-09-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based optimisation of orally active & reversible MetAP-2 inhibitors maintaining a tight 'molecular budget'.
Bioorg.Med.Chem.Lett., 30, 2020
7A14
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BU of 7a14 by Molmil
CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GSK2218325A (COMPOUND 32)
分子名称: 5-chloranyl-6-fluoranyl-3-(2-propan-2-yloxyphenyl)-1~{H}-indole-2-carboxamide, MANGANESE (II) ION, Methionine aminopeptidase 2, ...
著者Thorpe, J.H.
登録日2020-08-11
公開日2020-09-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Structure-based optimisation of orally active & reversible MetAP-2 inhibitors maintaining a tight 'molecular budget'.
Bioorg.Med.Chem.Lett., 30, 2020
4A7B
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BU of 4a7b by Molmil
MMP13 IN COMPLEX WITH A NOVEL SELECTIVE NON ZINC BINDING INHIBITOR CMPD22
分子名称: ACETOHYDROXAMIC ACID, CALCIUM ION, COLLAGENASE 3, ...
著者Hargreaves, D, Gerhardt, S.
登録日2011-11-11
公開日2011-12-21
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Lead Optimisation of Selective Non-Zinc Binding Inhibitors of Mmp13. Part 2.
Bioorg.Med.Chem.Lett., 22, 2012
7ZT3
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BU of 7zt3 by Molmil
Structure of E8 TCR in complex in human MR1 K43A
分子名称: Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, TCR alpha, ...
著者Karuppiah, V, Srikannathasan, V, Robinson, R.A.
登録日2022-05-09
公開日2023-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
7ZT2
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BU of 7zt2 by Molmil
Structure of E8 TCR in complex with human MR1 bound to 5-OP-RU
分子名称: 1,2-ETHANEDIOL, 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, ...
著者Karuppiah, V, Srikannathasan, V, Robinson, R.A.
登録日2022-05-09
公開日2023-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
7ZT9
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BU of 7zt9 by Molmil
Structure of E8 TCR in complex in human MR1 bound to 4FBA
分子名称: 1,2-ETHANEDIOL, 4-METHYLBENZOIC ACID, Beta-2-microglobulin, ...
著者Karuppiah, V, Srikannathasan, V, Robinson, R.A.
登録日2022-05-09
公開日2023-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
7ZT5
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BU of 7zt5 by Molmil
Structure of E8 TCR in complex in human MR1 bound to 3FSA
分子名称: 3-methanoyl-2-oxidanyl-benzoic acid, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ...
著者Karuppiah, V, Robinson, R.A.
登録日2022-05-09
公開日2023-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
7ZT7
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BU of 7zt7 by Molmil
Structure of E8 TCR in complex in human MR1 bound to 5FSA
分子名称: 1,2-ETHANEDIOL, 2-hydroxy-5-methylbenzoic acid, Beta-2-microglobulin, ...
著者Karuppiah, V, Robinson, R.A.
登録日2022-05-09
公開日2023-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
7ZT8
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BU of 7zt8 by Molmil
Structure of E8 TCR in complex in human MR1 bound to 3FBA
分子名称: 1,2-ETHANEDIOL, 3-methylbenzoic acid, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ...
著者Karuppiah, V, Srikannathasan, V, Robinson, R.A.
登録日2022-05-09
公開日2023-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
7ZT4
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BU of 7zt4 by Molmil
Structure of E8 TCR in complex with human MR1 bound to 6FP
分子名称: 2-azanyl-6-methyl-3~{H}-pteridin-4-one, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ...
著者Karuppiah, V, Robinson, R.A.
登録日2022-05-09
公開日2023-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023

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件を2024-05-01に公開中

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