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PDB: 3972 results

5SDP
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BU of 5sdp by Molmil
PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2277255954
Descriptor: 5-fluoro-1-(1-methylcyclopropane-1-sulfonyl)-1,2,3,6-tetrahydropyridine, Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION
Authors: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.
Deposit date:2022-01-20
Release date:2022-02-09
Method:X-RAY DIFFRACTION (2.195 Å)
Cite: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
Descriptor: Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION, N-(2,3-dimethylphenyl)-2-(morpholin-4-yl)acetamide
Authors: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.
Deposit date:2022-01-20
Release date:2022-02-09
Method:X-RAY DIFFRACTION (1.877 Å)
Cite: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
Descriptor: (4-chlorophenyl)(thiomorpholin-4-yl)methanone, Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION
Authors: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.
Deposit date:2022-01-20
Release date:2022-02-09
Method:X-RAY DIFFRACTION (2.023 Å)
Cite: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
Descriptor: 2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline, Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION
Authors: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.
Deposit date:2022-01-20
Release date:2022-02-09
Method:X-RAY DIFFRACTION (1.839 Å)
Cite: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
Descriptor: Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION, N-(cyclopropylmethyl)-2,2,3,3-tetramethylazetidine-1-carboxamide
Authors: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.
Deposit date:2022-01-20
Release date:2022-02-09
Method:X-RAY DIFFRACTION (2.039 Å)
Cite: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
Descriptor: Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION
Authors: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.
Deposit date:2022-01-20
Release date:2022-02-09
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5SLZ
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BU of 5slz by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2072621991
Descriptor: 2-(difluoromethoxy)-1-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ...
Authors:Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A.
Deposit date:2022-03-03
Release date:2022-03-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:PanDDA analysis group deposition
To Be Published
5S7N
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BU of 5s7n by Molmil
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010920a
Descriptor: 1,2-ETHANEDIOL, 1H-imidazol-2-amine, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ...
Authors:Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N.
Deposit date:2020-12-11
Release date:2021-06-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:XChem group deposition
To Be Published
5S7W
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BU of 5s7w by Molmil
XChem group deposition -- Crystal Structure of human ACVR1 in complex with HM000007h
Descriptor: 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ...
Authors:Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N.
Deposit date:2020-12-11
Release date:2021-06-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:XChem group deposition
To Be Published
5S7Y
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BU of 5s7y by Molmil
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010933a
Descriptor: (2S,4R)-1,3-thiazolidine-2,4-diamine, 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ...
Authors:Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N.
Deposit date:2020-12-11
Release date:2021-06-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:XChem group deposition
To Be Published
5S84
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BU of 5s84 by Molmil
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010949a
Descriptor: 1,2-ETHANEDIOL, 1-[(4R)-1,3-oxazolidin-4-yl]methanamine, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ...
Authors:Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N.
Deposit date:2020-12-11
Release date:2021-06-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:XChem group deposition
To Be Published
5S8A
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BU of 5s8a by Molmil
XChem group deposition -- Crystal Structure of human ACVR1 in complex with NU074484b
Descriptor: (4S)-imidazolidine-4-carbonitrile, 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ...
Authors:Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N.
Deposit date:2020-12-11
Release date:2021-06-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:XChem group deposition
To Be Published
5S78
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BU of 5s78 by Molmil
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010934a
Descriptor: 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ...
Authors:Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N.
Deposit date:2020-12-11
Release date:2021-06-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:XChem group deposition
To Be Published
5S7C
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BU of 5s7c by Molmil
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000274c
Descriptor: 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ...
Authors:Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N.
Deposit date:2020-12-11
Release date:2021-06-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:XChem group deposition
To Be Published
5S7M
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BU of 5s7m by Molmil
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000275d
Descriptor: 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ...
Authors:Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N.
Deposit date:2020-12-11
Release date:2021-06-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:XChem group deposition
To Be Published
5S7P
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BU of 5s7p by Molmil
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010937a
Descriptor: 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ...
Authors:Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N.
Deposit date:2020-12-11
Release date:2021-06-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:XChem group deposition
To Be Published
5S7Q
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BU of 5s7q by Molmil
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010944a
Descriptor: 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, 5-methyl-1H-tetrazole, ...
Authors:Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N.
Deposit date:2020-12-11
Release date:2021-06-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:XChem group deposition
To Be Published
5S7S
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BU of 5s7s by Molmil
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010921a
Descriptor: 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ...
Authors:Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N.
Deposit date:2020-12-11
Release date:2021-06-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:XChem group deposition
To Be Published
5S85
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BU of 5s85 by Molmil
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000884c
Descriptor: (3R)-1,2-oxazolidin-3-amine, 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ...
Authors:Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N.
Deposit date:2020-12-11
Release date:2021-06-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:XChem group deposition
To Be Published
5S8B
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BU of 5s8b by Molmil
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010960a
Descriptor: 1,2-ETHANEDIOL, 1lambda~6~-thietane-1,1-dione, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ...
Authors:Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N.
Deposit date:2020-12-11
Release date:2021-06-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:XChem group deposition
To Be Published
5S7X
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BU of 5s7x by Molmil
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000376d
Descriptor: 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ...
Authors:Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N.
Deposit date:2020-12-11
Release date:2021-06-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:XChem group deposition
To Be Published
5S7G
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BU of 5s7g by Molmil
XChem group deposition -- Crystal Structure of human ACVR1 in complex with XS035844b
Descriptor: 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ...
Authors:Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N.
Deposit date:2020-12-11
Release date:2021-06-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:XChem group deposition
To Be Published
5S7K
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BU of 5s7k by Molmil
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010936a
Descriptor: (3R)-3-aminobutanamide, 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ...
Authors:Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N.
Deposit date:2020-12-11
Release date:2021-06-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:XChem group deposition
To Be Published
5S7Z
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BU of 5s7z by Molmil
XChem group deposition -- Crystal Structure of human ACVR1 in complex with NU074488b
Descriptor: 1,2-ETHANEDIOL, 4-bromo-1H-pyrazole, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ...
Authors:Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N.
Deposit date:2020-12-11
Release date:2021-06-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:XChem group deposition
To Be Published
5S89
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BU of 5s89 by Molmil
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010957a
Descriptor: (2R)-2-aminobutanamide, 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ...
Authors:Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N.
Deposit date:2020-12-11
Release date:2021-06-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:XChem group deposition
To Be Published

223790

PDB entries from 2024-08-14

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