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1BKW
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BU of 1bkw by Molmil
p-Hydroxybenzoate hydroxylase (phbh) mutant with cys116 replaced by ser (c116s) and arg44 replaced by lys (r44k), in complex with fad and 4-hydroxybenzoic acid
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOIC ACID, PROTEIN (P-HYDROXYBENZOATE HYDROXYLASE)
Authors:Eppink, M.H, Schreuder, H.A, Van Berkel, W.J.
Deposit date:1998-07-13
Release date:1998-07-22
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and function of mutant Arg44Lys of 4-hydroxybenzoate hydroxylase implications for NADPH binding.
Eur.J.Biochem., 231, 1995
7C4K
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BU of 7c4k by Molmil
Ancestral L-amino acid oxidase (AncLAAO-N5) ligand free form
Descriptor: Ancestral L-amino acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Nakano, S, Minamino, Y, Karasuda, H, Ito, S.
Deposit date:2020-05-18
Release date:2020-12-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Ancestral L-amino acid oxidases for deracemization and stereoinversion of amino acids
Commun Chem, 3, 2020
5Q2I
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BU of 5q2i by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 10)
Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION
Authors:Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2017-05-25
Release date:2018-08-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:PanDDA analysis group deposition
To Be Published
5Q2Y
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BU of 5q2y by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 26)
Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION
Authors:Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2017-05-25
Release date:2018-08-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:PanDDA analysis group deposition
To Be Published
5Q3E
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BU of 5q3e by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 42)
Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION
Authors:Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2017-05-25
Release date:2018-08-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:PanDDA analysis group deposition
To Be Published
3KW9
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BU of 3kw9 by Molmil
X-ray structure of Cathepsin K covalently bound to a triazine ligand
Descriptor: 4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile, Cathepsin K, trifluoroacetic acid
Authors:Uitdehaag, J.C.M, van Zeeland, M.
Deposit date:2009-12-01
Release date:2010-03-02
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
5Q3T
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BU of 5q3t by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 57)
Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION
Authors:Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2017-05-25
Release date:2018-08-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:PanDDA analysis group deposition
To Be Published
5Q4A
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BU of 5q4a by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 75)
Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION
Authors:Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2017-05-25
Release date:2018-08-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:PanDDA analysis group deposition
To Be Published
5Q4Q
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BU of 5q4q by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 91)
Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION
Authors:Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2017-05-25
Release date:2018-08-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:PanDDA analysis group deposition
To Be Published
5Q55
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BU of 5q55 by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 106)
Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION
Authors:Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2017-05-25
Release date:2018-08-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:PanDDA analysis group deposition
To Be Published
5Q5L
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BU of 5q5l by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 122)
Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION
Authors:Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2017-05-25
Release date:2018-08-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:PanDDA analysis group deposition
To Be Published
5Q5W
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BU of 5q5w by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 133)
Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION
Authors:Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2017-05-25
Release date:2018-08-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:PanDDA analysis group deposition
To Be Published
5J6S
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BU of 5j6s by Molmil
Crystal structure of Endoplasmic Reticulum Aminopeptidase 2 (ERAP2) in complex with a hydroxamic derivative ligand
Descriptor: (2S)-N~1~-benzyl-2-[(4-fluorophenyl)methyl]-N~3~-hydroxypropanediamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Saridakis, E, Giastas, P, Mpakali, A, Deprez-Poulain, R, Stratikos, E.
Deposit date:2016-04-05
Release date:2017-03-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structures of ERAP2 Complexed with Inhibitors Reveal Pharmacophore Requirements for Optimizing Inhibitor Potency.
ACS Med Chem Lett, 8, 2017
5Q2T
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BU of 5q2t by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 21)
Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION
Authors:Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2017-05-25
Release date:2018-08-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:PanDDA analysis group deposition
To Be Published
5Q39
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BU of 5q39 by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 37)
Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION
Authors:Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2017-05-25
Release date:2018-08-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:PanDDA analysis group deposition
To Be Published
5Q3N
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BU of 5q3n by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 51)
Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION
Authors:Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2017-05-25
Release date:2018-08-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:PanDDA analysis group deposition
To Be Published
5Q43
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BU of 5q43 by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 67)
Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION
Authors:Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2017-05-25
Release date:2018-08-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:PanDDA analysis group deposition
To Be Published
5Q4H
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BU of 5q4h by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 82)
Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION
Authors:Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2017-05-25
Release date:2018-08-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:PanDDA analysis group deposition
To Be Published
5Q4W
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BU of 5q4w by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 97)
Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION
Authors:Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2017-05-25
Release date:2018-08-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:PanDDA analysis group deposition
To Be Published
5Q5E
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BU of 5q5e by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 115)
Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION
Authors:Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2017-05-25
Release date:2018-08-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:PanDDA analysis group deposition
To Be Published
5Q5U
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BU of 5q5u by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 131)
Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION
Authors:Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2017-05-25
Release date:2018-08-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:PanDDA analysis group deposition
To Be Published
5Q68
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BU of 5q68 by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 145)
Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION
Authors:Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2017-05-25
Release date:2018-08-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:PanDDA analysis group deposition
To Be Published
5Q2J
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BU of 5q2j by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 11)
Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION
Authors:Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2017-05-25
Release date:2018-08-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:PanDDA analysis group deposition
To Be Published
5Q2X
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BU of 5q2x by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 25)
Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION
Authors:Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2017-05-25
Release date:2018-08-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:PanDDA analysis group deposition
To Be Published
5Q3D
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BU of 5q3d by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 41)
Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION
Authors:Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2017-05-25
Release date:2018-08-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:PanDDA analysis group deposition
To Be Published

224931

數據於2024-09-11公開中

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