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4D76
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BU of 4d76 by Molmil
Human FXIa in complex with small molecule inhibitors.
分子名称: 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, ...
著者Sandmark, J, Oster, L, Jacso, T, Ullah, V, Redzick, A, Borjesson, U, Olsson, T, Norberg, M, Akerud, T.
登録日2014-11-20
公開日2016-01-20
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献From Mm Fragments to Nm Compounds Using Iloe-NMR to Guide Linking of Compounds in Fragment Based Drug Discovery (Fbdd).
To be Published
4D7F
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BU of 4d7f by Molmil
Human FXIa in complex with small molecule inhibitors.
分子名称: 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, ...
著者Sandmark, J, Oster, L, Jacso, T, Ullah, V, Redzick, A, Borjesson, U, Olsson, T, Norberg, M, Akerud, T.
登録日2014-11-24
公開日2016-01-20
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献From Mm Fragments to Nm Compounds Using Iloe-NMR to Guide Linking of Compounds in Fragment Based Drug Discovery (Fbdd).
To be Published
4D7G
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BU of 4d7g by Molmil
Human FXIa in complex with small molecule inhibitors.
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COAGULATION FACTOR XIA, GLYCEROL, ...
著者Sandmark, J, Oster, L, Jacso, T, Ullah, V, Redzick, A, Borjesson, U, Olsson, T, Norberg, M, Akerud, T.
登録日2014-11-24
公開日2016-01-20
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献From Mm Fragments to Nm Compounds Using Iloe-NMR to Guide Linking of Compounds in Fragment Based Drug Discovery (Fbdd).
To be Published
7A0V
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BU of 7a0v by Molmil
Crystal structure of the 5-phosphatase domain of Synaptojanin1 in complex with a nanobody
分子名称: GLYCEROL, MAGNESIUM ION, Nanobody 13015, ...
著者Paesmans, J, Galicia, C, Martin, E, Versees, W.
登録日2020-08-11
公開日2020-12-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A structure of substrate-bound Synaptojanin1 provides new insights in its mechanism and the effect of disease mutations.
Elife, 9, 2020
7A17
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BU of 7a17 by Molmil
Crystal structure of the 5-phosphatase domain of Synaptojanin1 bound to its substrate diC8-PI(3,4,5)P3 in complex with a nanobody
分子名称: (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, ...
著者Paesmans, J, Galicia, C, Martin, E, Versees, W.
登録日2020-08-12
公開日2020-12-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献A structure of substrate-bound Synaptojanin1 provides new insights in its mechanism and the effect of disease mutations.
Elife, 9, 2020
6R8X
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BU of 6r8x by Molmil
COAGULATION FACTOR XI CATALYTIC DOMAIN IN COMPLEX WITH FAB-PORTION OF MAA868
分子名称: Coagulation factor XI, anti-Factor-XI Fab fragment heavy chain MAA868, anti-Factor-XI Fab fragment light chain MAA868
著者Schiering, N, Koch, A.
登録日2019-04-02
公開日2019-04-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献MAA868, a novel FXI antibody with a unique binding mode, shows durable effects on markers of anticoagulation in humans.
Blood, 133, 2019
5NFT
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BU of 5nft by Molmil
Glucocorticoid Receptor in complex with AZD5423
分子名称: 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, ...
著者Edman, K, Wissler, L.
登録日2017-03-15
公開日2017-10-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Selective Nonsteroidal Glucocorticoid Receptor Modulators for the Inhaled Treatment of Pulmonary Diseases.
J. Med. Chem., 60, 2017
5NFP
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BU of 5nfp by Molmil
Glucocorticoid Receptor in complex with budesonide
分子名称: (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, ...
著者Edman, K, Wissler, L.
登録日2017-03-15
公開日2017-10-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Selective Nonsteroidal Glucocorticoid Receptor Modulators for the Inhaled Treatment of Pulmonary Diseases.
J. Med. Chem., 60, 2017
7JU2
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BU of 7ju2 by Molmil
Crystal structure of the monomeric ETV6 PNT domain
分子名称: FORMIC ACID, Transcription factor ETV6
著者Gerak, C.A.N, Kolesnikov, M, Murphy, M.E.P, McIntosh, L.P.
登録日2020-08-19
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85002184 Å)
主引用文献Biophysical characterization of the ETV6 PNT domain polymerization interfaces.
J.Biol.Chem., 296, 2021
7KQL
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BU of 7kql by Molmil
Anti-Tim3 antibody Fab complex
分子名称: GLYCEROL, Hepatitis A virus cellular receptor 2, Tim3.18 Fab heavy chain, ...
著者Deng, X.A, West, S.M, Strop, P.
登録日2020-11-16
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Tim-3 mediates T cell trogocytosis to limit antitumor immunity.
J.Clin.Invest., 132, 2022
5R1R
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BU of 5r1r by Molmil
RIBONUCLEOTIDE REDUCTASE E441A MUTANT R1 PROTEIN FROM ESCHERICHIA COLI
分子名称: RIBONUCLEOTIDE REDUCTASE R1 PROTEIN, RIBONUCLEOTIDE REDUCTASE R2 PROTEIN
著者Eriksson, M, Eklund, H.
登録日1997-09-17
公開日1998-03-18
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献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
6GON
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BU of 6gon by Molmil
Crystal Structure Of Sea Bream Transthyretin in complex with Perfluorooctanoic acid (PFOA). Crystallized in PEG
分子名称: Transthyretin, pentadecafluorooctanoic acid
著者Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E.
登録日2018-06-01
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
6GNP
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BU of 6gnp by Molmil
Crystal Structure Of Sea Bream Transthyretin in complex with 3,5,6-trichloro-2-pyridinol (TC2P)
分子名称: 3,5,6-trichloro-2-pyridinol, Transthyretin
著者Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E.
登録日2018-05-31
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.019 Å)
主引用文献Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
6GRP
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BU of 6grp by Molmil
Crystal Structure Of Human Transthyretin in complex with 3,5,6-trichloro-2-pyridinol (TC2P)
分子名称: 3,5,6-trichloro-2-pyridinol, SODIUM ION, Transthyretin
著者Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E.
登録日2018-06-12
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
6GG0
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BU of 6gg0 by Molmil
Cryo-EM structure of BK polyomavirus like particle in complex with single chain antibody ScFv41F17
分子名称: Capsid protein VP1, Heavy chain, light chain
著者Srinivas, H.
登録日2018-05-02
公開日2019-03-06
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (4.24 Å)
主引用文献Human Memory B Cells Harbor Diverse Cross-Neutralizing Antibodies against BK and JC Polyomaviruses.
Immunity, 50, 2019
6GNW
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BU of 6gnw by Molmil
Crystal Structure Of Sea Bream Transthyretin in complex with 2,4,5-trichlorophenoxyacetic acid (2,4,5-T)
分子名称: 2-[2,4,5-tris(chloranyl)phenoxy]ethanoic acid, Transthyretin
著者Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E.
登録日2018-05-31
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
6GNO
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BU of 6gno by Molmil
Crystal Structure Of Sea Bream Transthyretin in complex with Tetrabromobisphenol A (TBBPA)
分子名称: 4,4'-propane-2,2-diylbis(2,6-dibromophenol), SULFATE ION, Transthyretin
著者Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E.
登録日2018-05-31
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
6GOO
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BU of 6goo by Molmil
Crystal Structure Of Sea Bream Transthyretin in complex with Perfluorooctanoic acid (PFOA). Crystallized in AmSO4
分子名称: Transthyretin, pentadecafluorooctanoic acid
著者Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E.
登録日2018-06-01
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
6GNM
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BU of 6gnm by Molmil
Crystal Structure Of Sea Bream Transthyretin in complex with 2,2',4,4'-tetrahydroxybenzophenone (BP2)
分子名称: Transthyretin, bis(2,4-dihydroxyphenyl)methanone
著者Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E.
登録日2018-05-31
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
6GNR
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BU of 6gnr by Molmil
Crystal Structure Of Sea Bream Transthyretin in complex with 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid (Clonixin)
分子名称: 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid, Transthyretin
著者Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E.
登録日2018-05-31
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
4MP0
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BU of 4mp0 by Molmil
Structure of a second nuclear PP1 Holoenzyme, crystal form 2
分子名称: GLYCEROL, MANGANESE (II) ION, PHOSPHATE ION, ...
著者Choy, M.S, Hieke, M, Peti, W, Page, R.
登録日2013-09-12
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1003 Å)
主引用文献Understanding the antagonism of retinoblastoma protein dephosphorylation by PNUTS provides insights into the PP1 regulatory code.
Proc.Natl.Acad.Sci.USA, 111, 2014
4MOY
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BU of 4moy by Molmil
Structure of a second nuclear PP1 Holoenzyme, crystal form 1
分子名称: CHLORIDE ION, GLYCEROL, MANGANESE (II) ION, ...
著者Choy, M.S, Hieke, M, Peti, W, Page, R.
登録日2013-09-12
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1953 Å)
主引用文献Understanding the antagonism of retinoblastoma protein dephosphorylation by PNUTS provides insights into the PP1 regulatory code.
Proc.Natl.Acad.Sci.USA, 111, 2014
3PJN
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BU of 3pjn by Molmil
The crystal structure of Tp34 bound to Zn(II) ion at pH 7.5
分子名称: 1,2-ETHANEDIOL, 34 kDa membrane antigen, SULFATE ION, ...
著者Brautigam, C.A, Deka, R.K, Tomchick, D.R, Machius, M, Norgard, M.V.
登録日2010-11-10
公開日2011-11-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Characterization of the Tp34 lipoprotein from Treponema pallidum suggests a role in transition metal homeostasis
To be Published
4MOV
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BU of 4mov by Molmil
1.45 A Resolution Crystal Structure of Protein Phosphatase 1
分子名称: CHLORIDE ION, MANGANESE (II) ION, PHOSPHATE ION, ...
著者Choy, M.S, Peti, W, Page, R.
登録日2013-09-12
公開日2014-03-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.4503 Å)
主引用文献Understanding the antagonism of retinoblastoma protein dephosphorylation by PNUTS provides insights into the PP1 regulatory code.
Proc.Natl.Acad.Sci.USA, 111, 2014
3R1R
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BU of 3r1r by Molmil
RIBONUCLEOTIDE REDUCTASE R1 PROTEIN WITH AMPPNP OCCUPYING THE ACTIVITY SITE FROM ESCHERICHIA COLI
分子名称: ADENOSINE-5'-TRIPHOSPHATE, RIBONUCLEOTIDE REDUCTASE R1 PROTEIN, RIBONUCLEOTIDE REDUCTASE R2 PROTEIN
著者Eriksson, M, Eklund, H.
登録日1997-07-21
公開日1998-01-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Binding of allosteric effectors to ribonucleotide reductase protein R1: reduction of active-site cysteines promotes substrate binding.
Structure, 5, 1997

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