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8K72
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BU of 8k72 by Molmil
Factor-inhibiting hypoxia-inducible factor in complex with Zn(II) and 2-(3-hydroxy-2-((3-(phenylsulfonamido)propanoyl)imino)-2,3-dihydrothiazol-4-yl)acetic acid
Descriptor: 2-[(2~{Z})-3-oxidanyl-2-[3-(phenylsulfonylamino)propanoylimino]-1,3-thiazol-4-yl]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ...
Authors:Nakashima, Y, Corner, T.P, Teo, R.Z.R, Brewitz, L, Schofield, C.J.
Deposit date:2023-07-26
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure-guided optimisation of N -hydroxythiazole-derived inhibitors of factor inhibiting hypoxia-inducible factor-alpha.
Chem Sci, 14, 2023
8K73
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BU of 8k73 by Molmil
Factor-inhibiting hypoxia-inducible factor in complex with Zn(II) and 2-(3-hydroxy-2-((1-(phenylsulfonyl)pyrrolidine-3-carbonyl)imino)-2,3-dihydrothiazol-4-yl)acetic acid
Descriptor: 2-[(2~{Z})-3-oxidanyl-2-[(3~{R})-1-(phenylsulfonyl)pyrrolidin-3-yl]carbonylimino-1,3-thiazol-4-yl]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ...
Authors:Nakashima, Y, Corner, T.P, Teo, R.Z.R, Brewitz, L, Schofield, C.J.
Deposit date:2023-07-26
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structure-guided optimisation of N -hydroxythiazole-derived inhibitors of factor inhibiting hypoxia-inducible factor-alpha.
Chem Sci, 14, 2023
8PA8
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BU of 8pa8 by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2551
Descriptor: 7-[(1~{S})-1-[4-(3-azanylpropyl)-1,2,3-triazol-1-yl]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-07
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 2551
To Be Published
8P92
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BU of 8p92 by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2117
Descriptor: 3-[(1~{S})-1-phenylethoxy]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-05
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 2117
To Be Published
8P9P
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BU of 8p9p by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2408
Descriptor: 3-(2-ethoxy-5-fluoranyl-pyridin-3-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-06
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 2408
To Be Published
8PAO
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BU of 8pao by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2654
Descriptor: 7-[(1~{S})-1-[4-[(2-azanylethylsulfonylamino)methyl]-1,2,3-triazol-1-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-08
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 2654
To Be Published
8PA7
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BU of 8pa7 by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2546
Descriptor: 3-[4-[[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]methyl]-3-fluoranyl-phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ...
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-07
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 2546
To Be Published
8PA4
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BU of 8pa4 by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2526
Descriptor: 3-[4-(carbamimidamidomethyl)-3-fluoranyl-phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-07
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 2526
To Be Published
8P7O
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BU of 8p7o by Molmil
Isopenicillin N synthase in complex with Fe and Aad-Cys-[(S)-1-amino-2-methylpropane-1-sulfonic acid]
Descriptor: (2~{S})-2-azanyl-6-[[(2~{R})-1-[[(1~{S})-2-methyl-1-sulfo-propyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid, FE (III) ION, Isopenicillin N synthase, ...
Authors:Rabe, P, Schofield, C.J.
Deposit date:2023-05-30
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Isopenicillin N synthase in complex with Fe and Aad-Cys-[(S)-1-amino-2-methylpropane-1-sulfonic acid]
To Be Published
8P7P
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BU of 8p7p by Molmil
Isopenicillin N synthase in complex with Fe and Aad-Val-[(R)-1-amino-2-methylpropane-1-sulfonic acid]
Descriptor: (2~{S})-2-azanyl-6-[[(2~{R})-1-[[(1~{R})-2-methyl-1-sulfo-propyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid, FE (III) ION, Isopenicillin N synthase, ...
Authors:Rabe, P, Schofield, C.J.
Deposit date:2023-05-30
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Isopenicillin N synthase in complex with Fe and Aad-Val-[(R)-1-amino-2-methylpropane-1-sulfonic acid]
To Be Published
8PAL
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BU of 8pal by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2651
Descriptor: 7-[(1~{S})-1-[[4-(aminomethyl)phenyl]methoxy]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-08
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 2651
To Be Published
8P95
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BU of 8p95 by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2407
Descriptor: 3-(2-ethoxypyridin-3-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-05
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 2407
To Be Published
8P9S
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BU of 8p9s by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2482
Descriptor: 7-[(1~{S})-1-[4-(aminomethyl)phenyl]carbonyloxyethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ...
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-06
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 2482
To Be Published
8PAD
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BU of 8pad by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2555
Descriptor: 7-[(1~{S})-1-[[4-(aminomethyl)phenyl]carbonylamino]ethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-07
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 2555
To Be Published
8PB2
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BU of 8pb2 by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2697
Descriptor: 7-[(1~{S})-1-[4-(carbamimidamidomethyl)-1,2,3-triazol-1-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-08
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 2697
To Be Published
8PAC
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BU of 8pac by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2553
Descriptor: 7-[(1~{S})-1-[4-(aminomethyl)phenyl]carbonyloxyethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-07
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 2553
To Be Published
8PB0
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BU of 8pb0 by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2696
Descriptor: 7-[(1~{S})-1-[4-[[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]methyl]-1,2,3-triazol-1-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-08
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 2696
To Be Published
8P47
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BU of 8p47 by Molmil
IPNS variant N252A in complex with Fe and ACV under anaerobic conditions
Descriptor: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
Authors:Rabe, P, Schofield, C.J.
Deposit date:2023-05-19
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:IPNS variant N252A in complex with Fe and ACV under anaerobic conditions
To Be Published
8P46
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BU of 8p46 by Molmil
IPNS variant N252D in complex with Fe and IPN after O2 exposure
Descriptor: FE (III) ION, ISOPENICILLIN N, Isopenicillin N synthase, ...
Authors:Rabe, P, Schofield, C.J.
Deposit date:2023-05-19
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:IPNS variant N252D in complex with Fe and IPN after O2 exposure
To Be Published
8P48
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BU of 8p48 by Molmil
IPNS variant N252D in complex with Fe and ACV under anaerobic conditions
Descriptor: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
Authors:Rabe, P, Schofield, C.J.
Deposit date:2023-05-19
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:IPNS variant N252D in complex with Fe and ACV under anaerobic conditions
To Be Published
8P8Z
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BU of 8p8z by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 1963
Descriptor: 3-[3-cyano-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-04
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 1963
To Be Published
8PA3
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BU of 8pa3 by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2500
Descriptor: 7-[(1~{S})-1-[4-(2-azanylethyl)phenoxy]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-07
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 2500
To Be Published
8P93
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BU of 8p93 by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2163
Descriptor: 3-[3-fluoranyl-4-[(piperidin-4-ylsulfonylamino)methyl]phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-05
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 2163
To Be Published
8P9Q
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BU of 8p9q by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2455
Descriptor: 7-[(1~{S})-1-acetyloxyethyl]-3-[3-fluoranyl-4-(sulfamoylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ...
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-06
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 2455
To Be Published
8PA5
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Crystal structure of the metallo-beta-lactamase VIM1 with 2540
Descriptor: 3-(3-ethoxy-5-methyl-pyridin-4-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-07
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 2540
To Be Published

225158

數據於2024-09-18公開中

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