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5M4L
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BU of 5m4l by Molmil
Crystal Structure of Wild-Type Human Prolidase with Mg ions and LeuPro ligand
Descriptor: GLYCEROL, HYDROXIDE ION, LEUCINE, ...
Authors:Wilk, P, Weiss, M.S, Mueller, U, Dobbek, H.
Deposit date:2016-10-18
Release date:2017-07-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Substrate specificity and reaction mechanism of human prolidase.
FEBS J., 284, 2017
5LWP
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BU of 5lwp by Molmil
Discovery of phenoxyindazoles and phenylthioindazoles as RORg inverse agonists
Descriptor: 4-[3-[2-chloranyl-6-(trifluoromethyl)phenoxy]-5-(dimethylcarbamoyl)indazol-1-yl]benzoic acid, Nuclear receptor ROR-gamma
Authors:Ouvry, G, Bouix-Peter, C, Ciesielski, F, Chantalat, L, Christin, O, Comino, C, Duvert, D, Feret, C, Harris, C.S, Luzy, A.-P, Musicki, B, Orfila, D, Pascau, J, Parnet, V, Perrin, A, Pierre, R, Raffin, C, Rival, Y, Taquet, N, Thoreau, E, Hennequin, L.F.
Deposit date:2016-09-19
Release date:2016-11-16
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of phenoxyindazoles and phenylthioindazoles as ROR gamma inverse agonists.
Bioorg.Med.Chem.Lett., 26, 2016
7A3C
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BU of 7a3c by Molmil
Crystal structure of the c-Src SH3 domain mutant L100I at pH 3.0
Descriptor: GLYCEROL, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION
Authors:Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
Deposit date:2020-08-18
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the c-Src SH3 domain mutant L100I at pH 3.0
To be published
7A2T
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BU of 7a2t by Molmil
Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant at pH 4.0
Descriptor: ACETATE ION, Tyrosine-protein kinase Fyn
Authors:Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
Deposit date:2020-08-18
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant at pH 4.0
To be published
7A2Y
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BU of 7a2y by Molmil
Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant in complex with VSL12 at pH 4.0
Descriptor: Tyrosine-protein kinase Fyn, VSL12
Authors:Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
Deposit date:2020-08-18
Release date:2021-08-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant in complex with VSL12 at pH 4.0
To be published
6SIX
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BU of 6six by Molmil
PaaK family AMP-ligase with ANP
Descriptor: 1,2-ETHANEDIOL, AMP-dependent synthetase and ligase, CITRATE ANION, ...
Authors:Naismith, J.H, Song, H.
Deposit date:2019-08-12
Release date:2020-01-15
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 59, 2020
7A2Z
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BU of 7a2z by Molmil
Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant in complex with VSL12 at pH 6.0
Descriptor: Tyrosine-protein kinase Fyn, VSL12
Authors:Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
Deposit date:2020-08-18
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant in complex with VSL12 at pH 6.0
To be published
7A31
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BU of 7a31 by Molmil
Crystal structure of the c-Src SH3 domain mutant S94A-T98D-V111L-N113S-T114S at pH 4.5
Descriptor: Proto-oncogene tyrosine-protein kinase Src
Authors:Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
Deposit date:2020-08-18
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.94 Å)
Cite:Crystal structure of the c-Src SH3 domain mutant S94A-T98D-V111L-N113S-T114S at pH 4.5
To be published
7A32
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BU of 7a32 by Molmil
Crystal structure of the c-Src SH3 domain mutant S94A-T98D-V111L-N113S-T114S at pH 7.0
Descriptor: GLYCEROL, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION
Authors:Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
Deposit date:2020-08-18
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal structure of the c-Src SH3 domain mutant S94A-T98D-V111L-N113S-T114S at pH 7.0
To be published
5LLE
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BU of 5lle by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-(1-Adamantylamino)-2,3,5,6-tetrafluorobenzenesulfonamide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(1-adamantylamino)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide, BICINE, ...
Authors:Manakova, E, Smirnov, A, Grazulis, S.
Deposit date:2016-07-27
Release date:2017-08-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding.
PeerJ, 6, 2018
6SJ8
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BU of 6sj8 by Molmil
Methyltransferase MtgA from Desulfitobacterium hafniense in complex with tetrahydrofolate
Descriptor: (6S)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3H)-one, GLYCEROL, SODIUM ION, ...
Authors:Badmann, T, Groll, M.
Deposit date:2019-08-13
Release date:2019-09-25
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structures in Tetrahydrofolate Methylation in Desulfitobacterial Glycine Betaine Metabolism at Atomic Resolution.
Chembiochem, 21, 2020
7A35
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BU of 7a35 by Molmil
Crystal structure of the c-Src SH3 domain mutant V111L-N113S-T114S at pH 7.0
Descriptor: Proto-oncogene tyrosine-protein kinase Src, SULFATE ION
Authors:Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
Deposit date:2020-08-18
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.314 Å)
Cite:Crystal structure of the c-Src SH3 domain mutant V111L-N113S-T114S at pH 7.0
To be published
7A38
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BU of 7a38 by Molmil
Crystal structure of the c-Src SH3 domain mutant V111L-N113S-T114S-Q128E at pH 6.0
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION
Authors:Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
Deposit date:2020-08-18
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structure of the c-Src SH3 domain mutant V111L-N113S-T114S-Q128E at pH 6.0
To be published
6SJK
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BU of 6sjk by Molmil
Methyltransferase MtgA from Desulfitobacterium hafniense
Descriptor: GLYCEROL, Tetrahydromethanopterin S-methyltransferase
Authors:Badmann, T, Groll, M.
Deposit date:2019-08-13
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structures in Tetrahydrofolate Methylation in Desulfitobacterial Glycine Betaine Metabolism at Atomic Resolution.
Chembiochem, 21, 2020
6SJP
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BU of 6sjp by Molmil
Methyltransferase of the MtgA N227A mutant from Desulfitobacterium hafniense
Descriptor: GLYCEROL, Tetrahydromethanopterin S-methyltransferase
Authors:Badmann, T, Groll, M.
Deposit date:2019-08-13
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures in Tetrahydrofolate Methylation in Desulfitobacterial Glycine Betaine Metabolism at Atomic Resolution.
Chembiochem, 21, 2020
7A2X
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BU of 7a2x by Molmil
Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant in complex with VSL12 at pH 5.0
Descriptor: Tyrosine-protein kinase Fyn, VSL12 high affinity synthetic peptide acetylated in the amino-terminus
Authors:Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
Deposit date:2020-08-18
Release date:2021-08-25
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (0.92 Å)
Cite:Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant in complex with VSL12 at pH 5.0
To be published
5LYN
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BU of 5lyn by Molmil
Structure of the Tpr Domain of Sgt2 in complex with yeast Ssa1 peptide fragment
Descriptor: PRO-THR-VAL-GLU-GLU-VAL-ASP, Small glutamine-rich tetratricopeptide repeat-containing protein 2, ZINC ION
Authors:Krysztofinska, E.M, Evans, N.J, Thapaliya, A, Murray, J.W, Morgan, R.M.L, Martinez-Lumbreras, S, Isaacson, R.L.
Deposit date:2016-09-28
Release date:2017-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and Interactions of the TPR Domain of Sgt2 with Yeast Chaperones and Ybr137wp.
Front Mol Biosci, 4, 2017
7A30
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BU of 7a30 by Molmil
Intertwined dimer of the c-Src SH3 domain mutant Q128E
Descriptor: DI(HYDROXYETHYL)ETHER, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION, ...
Authors:Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
Deposit date:2020-08-18
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Intertwined dimer of the c-Src SH3 domain mutant Q128E
To be published
5LYX
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BU of 5lyx by Molmil
CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX; WITH AN INHIBITOR 5-((R)-1-[1,2,4]Triazolo[1,5-a]pyrimidin-7-yl-pyrrolidin-2-ylmethoxy)-isoquinoline
Descriptor: 5-[[(2~{R})-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]isoquinoline, MANGANESE (II) ION, Methionine aminopeptidase 2
Authors:Musil, D, Heinrich, T, Lehmann, M.
Deposit date:2016-09-29
Release date:2017-08-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Novel reversible methionine aminopeptidase-2 (MetAP-2) inhibitors based on purine and related bicyclic templates.
Bioorg. Med. Chem. Lett., 27, 2017
7A34
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BU of 7a34 by Molmil
Intertwined dimer of the c-Src SH3 domain mutant V111L-N113S-T114S
Descriptor: DI(HYDROXYETHYL)ETHER, Proto-oncogene tyrosine-protein kinase Src, TRIETHYLENE GLYCOL
Authors:Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
Deposit date:2020-08-18
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Intertwined dimer of the c-Src SH3 domain mutant V111L-N113S-T114S
To be published
7A2S
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BU of 7a2s by Molmil
Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant at pH 5.0
Descriptor: Tyrosine-protein kinase Fyn
Authors:Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
Deposit date:2020-08-18
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant at pH 5.0
To Be Published
6SJ0
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BU of 6sj0 by Molmil
Amidohydrolase, AHS
Descriptor: Amidohydrolase, BICARBONATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Naismith, J.H, Song, H.
Deposit date:2019-08-12
Release date:2020-01-15
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 59, 2020
7A2K
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BU of 7a2k by Molmil
Crystal structure of the Fyn SH3 domain in space group P1 at pH 7.5
Descriptor: SODIUM ION, Tyrosine-protein kinase Fyn
Authors:Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
Deposit date:2020-08-18
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the Fyn SH3 domain in space group P1 at pH 7.5
To be published
5LLN
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BU of 5lln by Molmil
Crystal structure of human carbonic anhydrase isozyme XIII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide
Descriptor: 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, CITRIC ACID, Carbonic anhydrase 13, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2016-07-28
Release date:2017-08-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of human carbonic anhydrase isozyme XIII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide
To be published
7A3B
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BU of 7a3b by Molmil
Intertwined dimer of the c-Src SH3 domain mutant E106D
Descriptor: GLYCEROL, Proto-oncogene tyrosine-protein kinase Src, TRIETHYLENE GLYCOL
Authors:Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
Deposit date:2020-08-18
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Intertwined dimer of the c-Src SH3 domain mutant E106D
To be published

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