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6XN6
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BU of 6xn6 by Molmil
ScoE with the CABA substrate bound and His299 and Arg157 flipped out
Descriptor: (3~{R})-3-(2-hydroxy-2-oxoethylamino)butanoic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Jonnalagadda, R, Drennan, C.L.
Deposit date:2020-07-02
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biochemical and crystallographic investigations into isonitrile formation by a nonheme iron-dependent oxidase/decarboxylase.
J.Biol.Chem., 296, 2021
2VLU
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BU of 2vlu by Molmil
Crystal structure of barley thioredoxin h isoform 2 in partially radiation-reduced state
Descriptor: THIOREDOXIN H ISOFORM 2.
Authors:Maeda, K, Hagglund, P, Finnie, C, Svensson, B, Henriksen, A.
Deposit date:2008-01-16
Release date:2008-04-29
Last modified:2017-07-12
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structures of Barley Thioredoxin H Isoforms Hvtrxh1 and Hvtrxh2 Reveal Features Involved in Protein Recognition and Possibly in Discriminating the Isoform Specificity.
Protein Sci., 17, 2008
6JB7
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BU of 6jb7 by Molmil
Crystal structure of Ub-conjugated Ube2K C92K&K97A mutant (isopeptide linkage), 2.1 A resolution
Descriptor: Ubiquitin, Ubiquitin-conjugating enzyme E2 K
Authors:Lee, J.-G, Youn, H.-S, Lee, Y, An, J.Y, Park, K.R, Kang, J.Y, Mun, S.A, Park, J, Park, T, Jin, M.W, Yang, J, Eom, S.H.
Deposit date:2019-01-25
Release date:2019-03-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Ub-conjugated Ube2K C92K&K97A mutant (isopeptide linkage), 2.1 A resolution
To Be Published
5RWO
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BU of 5rwo by Molmil
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434898
Descriptor: 1-(phenylmethyl)-4-pyrrol-1-yl-piperidine, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
Authors:Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2020-10-30
Release date:2020-11-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RX1
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BU of 5rx1 by Molmil
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2466069494
Descriptor: 1-[(1R)-1-(2-fluorophenyl)ethyl]piperazine, 1-[(1S)-1-(2-fluorophenyl)ethyl]piperazine, DIMETHYL SULFOXIDE, ...
Authors:Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2020-10-30
Release date:2020-11-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RXH
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BU of 5rxh by Molmil
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z939944666
Descriptor: 3-fluoro-4-(piperazin-1-yl)benzonitrile, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
Authors:Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2020-10-30
Release date:2020-11-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RXY
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BU of 5rxy by Molmil
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z32014663
Descriptor: DIMETHYL SULFOXIDE, N,N,2,3-tetramethylbenzamide, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
Authors:Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2020-10-30
Release date:2020-11-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RYC
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BU of 5ryc by Molmil
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z18197050
Descriptor: DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1, methyl 4-sulfanylbenzoate
Authors:Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2020-10-30
Release date:2020-11-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
4NFF
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BU of 4nff by Molmil
Human kallikrein-related peptidase 2 in complex with PPACK
Descriptor: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Kallikrein-2
Authors:Skala, W, Brandstetter, H, Magdolen, V, Goettig, P.
Deposit date:2013-10-31
Release date:2014-10-29
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-function analyses of human kallikrein-related peptidase 2 establish the 99-loop as master regulator of activity
J.Biol.Chem., 289, 2014
6JB6
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BU of 6jb6 by Molmil
Crystal structure of Ub-conjugated Ube2K C92K&K97A mutant (isopeptide linkage), 2.7 A resolution
Descriptor: Ubiquitin, Ubiquitin-conjugating enzyme E2 K
Authors:Lee, J.-G, Youn, H.-S, Lee, Y, An, J.Y, Park, K.R, Kang, J.Y, Mun, S.A, Park, J, Park, T, Jin, M.W, Yang, J, Eom, S.H.
Deposit date:2019-01-25
Release date:2019-03-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of Ub-conjugated Ube2K C92K&K97A mutant (isopeptide linkage), 2.7 A resolution
To Be Published
6XPA
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BU of 6xpa by Molmil
ScoE with oxovanadium and the CABA substrate bound and His299 and Arg157 flipped out
Descriptor: (3~{R})-3-(2-hydroxy-2-oxoethylamino)butanoic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Jonnalagadda, R, Drennan, C.L.
Deposit date:2020-07-08
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Biochemical and crystallographic investigations into isonitrile formation by a nonheme iron-dependent oxidase/decarboxylase.
J.Biol.Chem., 296, 2021
1TQY
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BU of 1tqy by Molmil
The Actinorhodin Ketosynthase/Chain Length Factor
Descriptor: ACETYL GROUP, Actinorhodin polyketide putative beta-ketoacyl synthase 1, Actinorhodin polyketide putative beta-ketoacyl synthase 2, ...
Authors:Keatinge-Clay, A.T, Maltby, D.A, Medzihradszky, K.F, Khosla, C, Stroud, R.M.
Deposit date:2004-06-18
Release date:2004-07-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:An antibiotic factory caught in action.
Nat.Struct.Mol.Biol., 11, 2004
5RW7
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BU of 5rw7 by Molmil
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z86622311
Descriptor: 3-chloro-N-(1,2-oxazol-3-yl)benzamide, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
Authors:Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2020-10-30
Release date:2020-11-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RWJ
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BU of 5rwj by Molmil
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434824
Descriptor: 1-(4-fluorophenyl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2020-10-30
Release date:2020-11-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RWV
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BU of 5rwv by Molmil
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1103351268
Descriptor: 2-methyl-1-[(oxan-4-yl)amino]propan-2-ol, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
Authors:Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2020-10-30
Release date:2020-11-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RX6
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BU of 5rx6 by Molmil
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z30620520
Descriptor: DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1, cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
Authors:Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2020-10-30
Release date:2020-11-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RXM
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BU of 5rxm by Molmil
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434894
Descriptor: DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1, ~{N},~{N}-dimethyl-4-[(propan-2-ylamino)methyl]aniline
Authors:Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2020-10-30
Release date:2020-11-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RY1
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BU of 5ry1 by Molmil
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2940170964
Descriptor: (3R)-1-methylpiperidin-3-yl furan-2-carboxylate, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
Authors:Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2020-10-30
Release date:2020-11-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
1FCJ
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BU of 1fcj by Molmil
CRYSTAL STRUCTURE OF OASS COMPLEXED WITH CHLORIDE AND SULFATE
Descriptor: CHLORIDE ION, O-ACETYLSERINE SULFHYDRYLASE, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Burkhard, P, Tai, C, Jansonius, J.N, Cook, P.F.
Deposit date:2000-07-18
Release date:2000-10-18
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of an allosteric anion-binding site on O-acetylserine sulfhydrylase: structure of the enzyme with chloride bound.
J.Mol.Biol., 303, 2000
4O2A
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BU of 4o2a by Molmil
Tubulin-BAL27862 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(4-{1-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl}-1,2,5-oxadiazol-3-yl)amino]propanenitrile, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Prota, A.E, Franck, D, Bachmann, F, Bargsten, K, Buey, R.M, Pohlmann, J, Reinelt, S, Lane, H, Steinmetz, M.O.
Deposit date:2013-12-17
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Novel Microtubule-Destabilizing Drug BAL27862 Binds to the Colchicine Site of Tubulin with Distinct Effects on Microtubule Organization.
J.Mol.Biol., 426, 2014
5RXE
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BU of 5rxe by Molmil
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z240654968
Descriptor: DIMETHYL SULFOXIDE, N-(2-chloropyridin-3-yl)butanamide, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
Authors:Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2020-10-30
Release date:2020-11-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RXT
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BU of 5rxt by Molmil
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z319545618
Descriptor: 3-[(2-methyl-1H-imidazol-1-yl)methyl]benzonitrile, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
Authors:Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2020-10-30
Release date:2020-11-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
6Y4P
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BU of 6y4p by Molmil
Calmodulin N53I variant bound to cardiac ryanodine receptor (RyR2) calmodulin binding domain
Descriptor: CALCIUM ION, Calmodulin-1, Ryanodine receptor 2
Authors:Lau, K, Nielsen, L.H, Holt, C, Brohus, M, Sorensen, A.B, Larsen, K.T, Sommer, C, Van Petegem, F, Overgaard, M.T, Wimmer, R.
Deposit date:2020-02-21
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.13325572 Å)
Cite:The arrhythmogenic N53I variant subtly changes the structure and dynamics in the calmodulin N-terminal domain, altering its interaction with the cardiac ryanodine receptor.
J.Biol.Chem., 295, 2020
5RY9
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BU of 5ry9 by Molmil
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z274575916
Descriptor: 2,4-dimethyl-6-(piperazin-1-yl)pyrimidine, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2020-10-30
Release date:2020-11-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
5RYI
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BU of 5ryi by Molmil
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z274555794
Descriptor: DIMETHYL SULFOXIDE, N-(3-acetylphenyl)morpholine-4-carboxamide, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
Authors:Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2020-10-30
Release date:2020-11-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024

225399

数据于2024-09-25公开中

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