4D76
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![BU of 4d76 by Molmil](/molmil-images/mine/4d76) | Human FXIa in complex with small molecule inhibitors. | Descriptor: | COAGULATION FACTOR XI, GLYCEROL, N-[(2S)-1-({5-[(diaminomethylidene)amino]pentyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide, ... | Authors: | Sandmark, J, Oster, L, Jacso, T, Ullah, V, Redzick, A, Borjesson, U, Olsson, T, Norberg, M, Akerud, T. | Deposit date: | 2014-11-20 | Release date: | 2016-01-20 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | From Mm Fragments to Nm Compounds Using Iloe-NMR to Guide Linking of Compounds in Fragment Based Drug Discovery (Fbdd). To be Published
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4D7F
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![BU of 4d7f by Molmil](/molmil-images/mine/4d7f) | Human FXIa in complex with small molecule inhibitors. | Descriptor: | COAGULATION FACTOR XI, GLYCEROL, N-[(2S)-1-({4-[(diaminomethylidene)amino]butyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide, ... | Authors: | Sandmark, J, Oster, L, Jacso, T, Ullah, V, Redzick, A, Borjesson, U, Olsson, T, Norberg, M, Akerud, T. | Deposit date: | 2014-11-24 | Release date: | 2016-01-20 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | From Mm Fragments to Nm Compounds Using Iloe-NMR to Guide Linking of Compounds in Fragment Based Drug Discovery (Fbdd). To be Published
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4D7G
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![BU of 4d7g by Molmil](/molmil-images/mine/4d7g) | Human FXIa in complex with small molecule inhibitors. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COAGULATION FACTOR XIA, GLYCEROL, ... | Authors: | Sandmark, J, Oster, L, Jacso, T, Ullah, V, Redzick, A, Borjesson, U, Olsson, T, Norberg, M, Akerud, T. | Deposit date: | 2014-11-24 | Release date: | 2016-01-20 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | From Mm Fragments to Nm Compounds Using Iloe-NMR to Guide Linking of Compounds in Fragment Based Drug Discovery (Fbdd). To be Published
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7A0V
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![BU of 7a0v by Molmil](/molmil-images/mine/7a0v) | Crystal structure of the 5-phosphatase domain of Synaptojanin1 in complex with a nanobody | Descriptor: | GLYCEROL, MAGNESIUM ION, Nanobody 13015, ... | Authors: | Paesmans, J, Galicia, C, Martin, E, Versees, W. | Deposit date: | 2020-08-11 | Release date: | 2020-12-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A structure of substrate-bound Synaptojanin1 provides new insights in its mechanism and the effect of disease mutations. Elife, 9, 2020
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7A17
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![BU of 7a17 by Molmil](/molmil-images/mine/7a17) | Crystal structure of the 5-phosphatase domain of Synaptojanin1 bound to its substrate diC8-PI(3,4,5)P3 in complex with a nanobody | Descriptor: | (2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate, GLYCEROL, Isoform 2 of Synaptojanin-1, ... | Authors: | Paesmans, J, Galicia, C, Martin, E, Versees, W. | Deposit date: | 2020-08-12 | Release date: | 2020-12-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | A structure of substrate-bound Synaptojanin1 provides new insights in its mechanism and the effect of disease mutations. Elife, 9, 2020
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6R8X
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![BU of 6r8x by Molmil](/molmil-images/mine/6r8x) | |
5NFT
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![BU of 5nft by Molmil](/molmil-images/mine/5nft) | Glucocorticoid Receptor in complex with AZD5423 | Descriptor: | 1,2-ETHANEDIOL, 2,2,2-tris(fluoranyl)-~{N}-[(1~{R},2~{S})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]ethanamide, Glucocorticoid receptor, ... | Authors: | Edman, K, Wissler, L. | Deposit date: | 2017-03-15 | Release date: | 2017-10-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Selective Nonsteroidal Glucocorticoid Receptor Modulators for the Inhaled Treatment of Pulmonary Diseases. J. Med. Chem., 60, 2017
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5NFP
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![BU of 5nfp by Molmil](/molmil-images/mine/5nfp) | Glucocorticoid Receptor in complex with budesonide | Descriptor: | (1~{S},2~{S},4~{R},6~{R},8~{S},9~{S},11~{S},12~{S},13~{R})-9,13-dimethyl-11-oxidanyl-8-(2-oxidanylethanoyl)-6-propyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-16-one, 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ... | Authors: | Edman, K, Wissler, L. | Deposit date: | 2017-03-15 | Release date: | 2017-10-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Selective Nonsteroidal Glucocorticoid Receptor Modulators for the Inhaled Treatment of Pulmonary Diseases. J. Med. Chem., 60, 2017
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7JU2
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![BU of 7ju2 by Molmil](/molmil-images/mine/7ju2) | Crystal structure of the monomeric ETV6 PNT domain | Descriptor: | FORMIC ACID, Transcription factor ETV6 | Authors: | Gerak, C.A.N, Kolesnikov, M, Murphy, M.E.P, McIntosh, L.P. | Deposit date: | 2020-08-19 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85002184 Å) | Cite: | Biophysical characterization of the ETV6 PNT domain polymerization interfaces. J.Biol.Chem., 296, 2021
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7KQL
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![BU of 7kql by Molmil](/molmil-images/mine/7kql) | Anti-Tim3 antibody Fab complex | Descriptor: | GLYCEROL, Hepatitis A virus cellular receptor 2, Tim3.18 Fab heavy chain, ... | Authors: | Deng, X.A, West, S.M, Strop, P. | Deposit date: | 2020-11-16 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Tim-3 mediates T cell trogocytosis to limit antitumor immunity. J.Clin.Invest., 132, 2022
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5R1R
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![BU of 5r1r by Molmil](/molmil-images/mine/5r1r) | RIBONUCLEOTIDE REDUCTASE E441A MUTANT R1 PROTEIN FROM ESCHERICHIA COLI | Descriptor: | RIBONUCLEOTIDE REDUCTASE R1 PROTEIN, RIBONUCLEOTIDE REDUCTASE R2 PROTEIN | Authors: | Eriksson, M, Eklund, H. | Deposit date: | 1997-09-17 | Release date: | 1998-03-18 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A new mechanism-based radical intermediate in a mutant R1 protein affecting the catalytically essential Glu441 in Escherichia coli ribonucleotide reductase. J.Biol.Chem., 272, 1997
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6GON
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![BU of 6gon by Molmil](/molmil-images/mine/6gon) | Crystal Structure Of Sea Bream Transthyretin in complex with Perfluorooctanoic acid (PFOA). Crystallized in PEG | Descriptor: | Transthyretin, pentadecafluorooctanoic acid | Authors: | Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E. | Deposit date: | 2018-06-01 | Release date: | 2018-07-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals. Environ. Sci. Technol., 52, 2018
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6GNP
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![BU of 6gnp by Molmil](/molmil-images/mine/6gnp) | Crystal Structure Of Sea Bream Transthyretin in complex with 3,5,6-trichloro-2-pyridinol (TC2P) | Descriptor: | 3,5,6-trichloro-2-pyridinol, Transthyretin | Authors: | Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E. | Deposit date: | 2018-05-31 | Release date: | 2018-07-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.019 Å) | Cite: | Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals. Environ. Sci. Technol., 52, 2018
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6GRP
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![BU of 6grp by Molmil](/molmil-images/mine/6grp) | Crystal Structure Of Human Transthyretin in complex with 3,5,6-trichloro-2-pyridinol (TC2P) | Descriptor: | 3,5,6-trichloro-2-pyridinol, SODIUM ION, Transthyretin | Authors: | Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E. | Deposit date: | 2018-06-12 | Release date: | 2018-07-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals. Environ. Sci. Technol., 52, 2018
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6GG0
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![BU of 6gg0 by Molmil](/molmil-images/mine/6gg0) | |
6GNW
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![BU of 6gnw by Molmil](/molmil-images/mine/6gnw) | Crystal Structure Of Sea Bream Transthyretin in complex with 2,4,5-trichlorophenoxyacetic acid (2,4,5-T) | Descriptor: | 2-[2,4,5-tris(chloranyl)phenoxy]ethanoic acid, Transthyretin | Authors: | Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E. | Deposit date: | 2018-05-31 | Release date: | 2018-07-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals. Environ. Sci. Technol., 52, 2018
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6GNO
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![BU of 6gno by Molmil](/molmil-images/mine/6gno) | Crystal Structure Of Sea Bream Transthyretin in complex with Tetrabromobisphenol A (TBBPA) | Descriptor: | 4,4'-propane-2,2-diylbis(2,6-dibromophenol), SULFATE ION, Transthyretin | Authors: | Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E. | Deposit date: | 2018-05-31 | Release date: | 2018-07-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals. Environ. Sci. Technol., 52, 2018
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6GOO
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![BU of 6goo by Molmil](/molmil-images/mine/6goo) | Crystal Structure Of Sea Bream Transthyretin in complex with Perfluorooctanoic acid (PFOA). Crystallized in AmSO4 | Descriptor: | Transthyretin, pentadecafluorooctanoic acid | Authors: | Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E. | Deposit date: | 2018-06-01 | Release date: | 2018-07-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals. Environ. Sci. Technol., 52, 2018
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6GNM
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![BU of 6gnm by Molmil](/molmil-images/mine/6gnm) | Crystal Structure Of Sea Bream Transthyretin in complex with 2,2',4,4'-tetrahydroxybenzophenone (BP2) | Descriptor: | Transthyretin, bis(2,4-dihydroxyphenyl)methanone | Authors: | Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E. | Deposit date: | 2018-05-31 | Release date: | 2018-07-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals. Environ. Sci. Technol., 52, 2018
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6GNR
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![BU of 6gnr by Molmil](/molmil-images/mine/6gnr) | Crystal Structure Of Sea Bream Transthyretin in complex with 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid (Clonixin) | Descriptor: | 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid, Transthyretin | Authors: | Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E. | Deposit date: | 2018-05-31 | Release date: | 2018-07-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals. Environ. Sci. Technol., 52, 2018
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4MP0
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![BU of 4mp0 by Molmil](/molmil-images/mine/4mp0) | Structure of a second nuclear PP1 Holoenzyme, crystal form 2 | Descriptor: | GLYCEROL, MANGANESE (II) ION, PHOSPHATE ION, ... | Authors: | Choy, M.S, Hieke, M, Peti, W, Page, R. | Deposit date: | 2013-09-12 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1003 Å) | Cite: | Understanding the antagonism of retinoblastoma protein dephosphorylation by PNUTS provides insights into the PP1 regulatory code. Proc.Natl.Acad.Sci.USA, 111, 2014
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4MOY
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![BU of 4moy by Molmil](/molmil-images/mine/4moy) | Structure of a second nuclear PP1 Holoenzyme, crystal form 1 | Descriptor: | CHLORIDE ION, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Choy, M.S, Hieke, M, Peti, W, Page, R. | Deposit date: | 2013-09-12 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1953 Å) | Cite: | Understanding the antagonism of retinoblastoma protein dephosphorylation by PNUTS provides insights into the PP1 regulatory code. Proc.Natl.Acad.Sci.USA, 111, 2014
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3PJN
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![BU of 3pjn by Molmil](/molmil-images/mine/3pjn) | The crystal structure of Tp34 bound to Zn(II) ion at pH 7.5 | Descriptor: | 1,2-ETHANEDIOL, 34 kDa membrane antigen, SULFATE ION, ... | Authors: | Brautigam, C.A, Deka, R.K, Tomchick, D.R, Machius, M, Norgard, M.V. | Deposit date: | 2010-11-10 | Release date: | 2011-11-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Characterization of the Tp34 lipoprotein from Treponema pallidum suggests a role in transition metal homeostasis To be Published
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4MOV
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![BU of 4mov by Molmil](/molmil-images/mine/4mov) | 1.45 A Resolution Crystal Structure of Protein Phosphatase 1 | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, PHOSPHATE ION, ... | Authors: | Choy, M.S, Peti, W, Page, R. | Deposit date: | 2013-09-12 | Release date: | 2014-03-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4503 Å) | Cite: | Understanding the antagonism of retinoblastoma protein dephosphorylation by PNUTS provides insights into the PP1 regulatory code. Proc.Natl.Acad.Sci.USA, 111, 2014
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3R1R
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![BU of 3r1r by Molmil](/molmil-images/mine/3r1r) | |