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PDB: 2097 件
5SDH
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BU of 5sdh by Molmil
PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2856434854
分子名称: 1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide, Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION
著者Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A.
登録日2022-01-20
公開日2022-02-09
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.313 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5SDO
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BU of 5sdo by Molmil
PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z19735067
分子名称: 2-(4-fluorophenoxy)-1-(pyrrolidin-1-yl)ethan-1-one, Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION
著者Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A.
登録日2022-01-20
公開日2022-02-09
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.051 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5SDQ
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BU of 5sdq by Molmil
PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2856434887
分子名称: 2-[(morpholin-4-yl)methyl]phenol, Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION
著者Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A.
登録日2022-01-20
公開日2022-02-09
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5SDC
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BU of 5sdc by Molmil
PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2856434912
分子名称: 3-[(4-methylpiperidin-1-yl)methyl]-1H-indole, Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION
著者Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A.
登録日2022-01-20
公開日2022-02-09
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.928 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5SDL
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BU of 5sdl by Molmil
PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z321318226
分子名称: Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION, N-(4-methoxyphenyl)-N'-pyridin-4-ylurea
著者Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A.
登録日2022-01-20
公開日2022-02-09
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5SDR
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BU of 5sdr by Molmil
PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z1273312153
分子名称: Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION, N-methyl-1H-indole-7-carboxamide
著者Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A.
登録日2022-01-20
公開日2022-02-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.077 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5SDI
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BU of 5sdi by Molmil
PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z44592329
分子名称: Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION, N-phenyl-N'-pyridin-3-ylurea
著者Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A.
登録日2022-01-20
公開日2022-02-09
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5SDP
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BU of 5sdp by Molmil
PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2277255954
分子名称: 5-fluoro-1-(1-methylcyclopropane-1-sulfonyl)-1,2,3,6-tetrahydropyridine, Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION
著者Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A.
登録日2022-01-20
公開日2022-02-09
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.195 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5SDF
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BU of 5sdf by Molmil
PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2856434834
分子名称: Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION, N-(2,3-dimethylphenyl)-2-(morpholin-4-yl)acetamide
著者Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A.
登録日2022-01-20
公開日2022-02-09
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.877 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5SDN
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BU of 5sdn by Molmil
PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z437584380
分子名称: (4-chlorophenyl)(thiomorpholin-4-yl)methanone, Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION
著者Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A.
登録日2022-01-20
公開日2022-02-09
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.023 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5SDD
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BU of 5sdd by Molmil
PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2856434879
分子名称: 2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline, Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION
著者Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A.
登録日2022-01-20
公開日2022-02-09
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.839 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5SDM
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BU of 5sdm by Molmil
PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z1328078283
分子名称: Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION, N-(cyclopropylmethyl)-2,2,3,3-tetramethylazetidine-1-carboxamide
著者Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A.
登録日2022-01-20
公開日2022-02-09
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.039 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5SDS
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BU of 5sds by Molmil
PanDDA analysis group deposition of ground-state model of Porphyromonas gingivalis DPP11
分子名称: Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION
著者Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A.
登録日2022-01-20
公開日2022-02-09
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5QIR
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BU of 5qir by Molmil
Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0102305
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(4-fluoro-3-methylphenyl)methyl]acetamide, ...
著者Sethi, R, Douangamath, A, Resnick, E, Bradley, A.R, Collins, P, Brandao-Neto, J, Talon, R, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, London, N, von Delft, F.
登録日2018-08-10
公開日2019-12-18
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Covalent fragment group deposition
To Be Published
5QIP
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BU of 5qip by Molmil
Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0102153
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ubiquitin thioesterase OTUB2, ...
著者Sethi, R, Douangamath, A, Resnick, E, Bradley, A.R, Collins, P, Brandao-Neto, J, Talon, R, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, London, N, von Delft, F.
登録日2018-08-10
公開日2019-12-18
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Covalent fragment group deposition
To Be Published
5QR2
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BU of 5qr2 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1348371854
分子名称: 5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile, 5-aminolevulinate synthase, erythroid-specific, ...
著者Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
登録日2019-05-22
公開日2019-08-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QIV
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BU of 5qiv by Molmil
Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0102998
分子名称: 1,2-ETHANEDIOL, N'-acetyl-2-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetohydrazide, UNKNOWN LIGAND, ...
著者Sethi, R, Douangamath, A, Resnick, E, Bradley, A.R, Collins, P, Brandao-Neto, J, Talon, R, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, London, N, von Delft, F.
登録日2018-08-10
公開日2019-12-18
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Covalent fragment group deposition
To Be Published
5QR0
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BU of 5qr0 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z730649594
分子名称: 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ...
著者Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
登録日2019-05-22
公開日2019-08-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QIB
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BU of 5qib by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with FMOPL000388a
分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 5-(cyclohexylamino)pyrimidine-2,4(1H,3H)-dione, Hydroxyacid oxidase 1
著者MacKinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandao-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W.
登録日2018-05-22
公開日2018-07-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QQY
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BU of 5qqy by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z2856434899
分子名称: 1-[(2,5-dihydrothiophen-3-yl)methyl]piperidin-4-ol, 5-aminolevulinate synthase, erythroid-specific, ...
著者Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
登録日2019-05-22
公開日2019-08-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QRE
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BU of 5qre by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z117233350
分子名称: 3-ethyl-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide, 5-aminolevulinate synthase, erythroid-specific, ...
著者Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
登録日2019-05-22
公開日2019-08-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QIS
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BU of 5qis by Molmil
Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0102500
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-(5-methyl-1,2-oxazol-3-yl)acetamide, ...
著者Sethi, R, Douangamath, A, Resnick, E, Bradley, A.R, Collins, P, Brandao-Neto, J, Talon, R, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, London, N, von Delft, F.
登録日2018-08-10
公開日2019-12-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Covalent fragment group deposition
To Be Published
5QQX
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BU of 5qqx by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z373768900
分子名称: 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ...
著者Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
登録日2019-05-22
公開日2019-08-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QQJ
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BU of 5qqj by Molmil
PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-009-587-558
分子名称: 1,2-ETHANEDIOL, Kalirin, N-{1-[(imidazo[1,2-a]pyridin-2-yl)methyl]-1H-pyrazol-4-yl}-N'-(5-methyl-1,2-oxazol-3-yl)urea, ...
著者Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F.
登録日2019-05-03
公開日2019-12-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QIQ
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BU of 5qiq by Molmil
Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0103050
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(4-bromothiophen-2-yl)methyl]acetamide, ...
著者Sethi, R, Douangamath, A, Resnick, E, Bradley, A.R, Collins, P, Brandao-Neto, J, Talon, R, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, London, N, von Delft, F.
登録日2018-08-10
公開日2019-12-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Covalent fragment group deposition
To Be Published

238582

件を2025-07-09に公開中

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