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7Q9O
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BU of 7q9o by Molmil
Complex of Transthyretin with resveratrol exhibits multiple binding modes
分子名称: GLYCEROL, RESVERATROL, SODIUM ION, ...
著者Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A.
登録日2021-11-12
公開日2022-11-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
5UDD
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BU of 5udd by Molmil
Crystal Structure of RSV F B9320 Bound to MEDI8897
分子名称: Fusion glycoprotein F0, MEDI8897 Fab Heavy Chain, MEDI8897 Fab Light Chain, ...
著者McLellan, J.S.
登録日2016-12-26
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (4.3 Å)
主引用文献A highly potent extended half-life antibody as a potential RSV vaccine surrogate for all infants.
Sci Transl Med, 9, 2017
3JVH
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BU of 3jvh by Molmil
Crystal structure of 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with FOL fragment 8395
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 5-[(pyridin-3-ylmethyl)amino]-1H-pyrazole-4-carboxamide, GLYCEROL, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-09-16
公開日2009-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
2K8H
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BU of 2k8h by Molmil
Solution structure of SUMO from Trypanosoma brucei
分子名称: Small ubiquitin protein
著者Shang, Q, Tu, X.
登録日2008-09-10
公開日2009-04-21
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of SUMO from Trypanosoma brucei and its interaction with Ubc9
Proteins, 76, 2009
7V12
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BU of 7v12 by Molmil
Factor XIa in Complex with Compound 2f
分子名称: 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-fluoranyl-pyridin-2-amine, CITRIC ACID, Coagulation factor XIa light chain
著者Shaffer, P.L, Spurlino, J, Milligan, C.M.
登録日2022-05-11
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.631 Å)
主引用文献Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
7V0Z
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BU of 7v0z by Molmil
Factor XIa in Complex with Compound 2a
分子名称: Coagulation factor XIa light chain, methyl ~{N}-[4-[1-[(1~{R})-1-[5-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate
著者Shaffer, P.L, Spurlino, J, Milligan, C.M.
登録日2022-05-11
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
7V10
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BU of 7v10 by Molmil
Factor XIa in Complex with Compound 2d
分子名称: CITRIC ACID, Coagulation factor XIa light chain, methyl ~{N}-[4-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate
著者Shaffer, P.L, Spurlino, J, Milligan, C.M.
登録日2022-05-11
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
6T5I
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BU of 6t5i by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with inhibitor of WNT production (IWP)-2
分子名称: DIMETHYL SULFOXIDE, Listeriolysin positive regulatory factor A, SODIUM ION, ...
著者Oelker, M, Grundstrom, C, Blumenthal, A, Sauer-Eriksson, A.E.
登録日2019-10-16
公開日2021-10-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibition of the master regulator of Listeria monocytogenes virulence enables bacterial clearance from spacious replication vacuoles in infected macrophages.
Plos Pathog., 18, 2022
4JBA
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BU of 4jba by Molmil
Crystal Structure of the Oxidized Form of MarR from E.coli
分子名称: Multiple antibiotic resistance protein MarR
著者Lou, H, Zhu, R, Hao, Z.
登録日2013-02-19
公開日2013-10-16
最終更新日2014-04-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The multiple antibiotic resistance regulator MarR is a copper sensor in Escherichia coli.
Nat.Chem.Biol., 10, 2014
7T4E
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BU of 7t4e by Molmil
Prepore structure of pore-forming toxin Epx1
分子名称: Epx1
著者Xiong, X.Z, Yang, P, Dong, M, Abraham, J.
登録日2021-12-09
公開日2022-03-16
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Emerging enterococcus pore-forming toxins with MHC/HLA-I as receptors.
Cell, 185, 2022
4WY4
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BU of 4wy4 by Molmil
Crystal structure of autophagic SNARE complex
分子名称: Synaptosomal-associated protein 29, Syntaxin-17, Vesicle-associated membrane protein 8
著者Zhao, M, Brunger, A.T.
登録日2014-11-15
公開日2015-02-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献ATG14 promotes membrane tethering and fusion of autophagosomes to endolysosomes.
Nature, 520, 2015
5K08
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BU of 5k08 by Molmil
RecA mini intein-Zeise's salt complex
分子名称: 3,3',3''-phosphanetriyltripropanoic acid, RecA mini intein, SULFATE ION, ...
著者Li, Z, Li, H.M.
登録日2016-05-17
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.401 Å)
主引用文献Structural insights into protein splicing inhibition by platinum therapeutics as potential anti-microbials
To be published
7KW1
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BU of 7kw1 by Molmil
Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-3
分子名称: (2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)oxy]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein
著者Skene, R.
登録日2020-11-29
公開日2021-06-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route.
J.Med.Chem., 64, 2021
7KVX
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BU of 7kvx by Molmil
Structure of hSTING in complex with novel carbocyclic pyrimidine CDN 1
分子名称: (2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)amino]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein
著者Skene, R.
登録日2020-11-29
公開日2021-06-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route.
J.Med.Chem., 64, 2021
8ETN
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BU of 8etn by Molmil
The X-ray Crystal Structure of Tri-Ketone Dioxygenase from Rice
分子名称: Tri-Ketone Dioxygenase
著者Rydel, T.J, Duda, D, Zheng, M, Duff, S.M.G.
登録日2022-10-17
公開日2023-12-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献Structural and functional characterization of triketone dioxygenase from Oryza Sativa.
Biochim Biophys Acta Gen Subj, 1868, 2023
5ED6
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BU of 5ed6 by Molmil
crystal structure of human Hint1 H114A mutant complexing with ATP
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1
著者Wang, J, Fang, P, Guo, M.
登録日2015-10-20
公開日2017-01-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
1M9U
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BU of 1m9u by Molmil
Crystal Structure of Earthworm Fibrinolytic Enzyme Component A from Eisenia fetida
分子名称: Earthworm Fibrinolytic Enzyme
著者Chang, W, Liang, D, Tang, Y.
登録日2002-07-29
公開日2002-08-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of earthworm fibrinolytic enzyme component a: revealing the structural determinants of its dual fibrinolytic activity.
J.Mol.Biol., 321, 2002
1EER
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BU of 1eer by Molmil
CRYSTAL STRUCTURE OF HUMAN ERYTHROPOIETIN COMPLEXED TO ITS RECEPTOR AT 1.9 ANGSTROMS
分子名称: ERYTHROPOIETIN, ERYTHROPOIETIN RECEPTOR
著者Syed, R.S, Li, C.
登録日1998-07-24
公開日1999-10-01
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Efficiency of signalling through cytokine receptors depends critically on receptor orientation.
Nature, 395, 1998
6LRU
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BU of 6lru by Molmil
Marsupenaeus japonicus ferritin mutant (T158H)
分子名称: FE (III) ION, Ferritin, IMIDAZOLE, ...
著者Zhao, G, Tan, X, Zhang, T.
登録日2020-01-16
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Converting histidine-induced 3D protein arrays in crystals into their 3D analogues in solution by metal coordination cross-linking.
Commun Chem, 2020
6XB9
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BU of 6xb9 by Molmil
Crystal structure of Azotobacter vinelandii 3-mercaptopropionic acid dioxygenase in complex with 3-hydroxypropionic acid
分子名称: 3-HYDROXY-PROPANOIC ACID, CHLORIDE ION, Cysteine dioxygenase type I protein, ...
著者Kiser, P.D, Khadka, N, Shi, W, Pierce, B.S.
登録日2020-06-05
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of 3-mercaptopropionic acid dioxygenase with a substrate analog reveals bidentate substrate binding at the iron center.
J.Biol.Chem., 296, 2021
6LRV
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BU of 6lrv by Molmil
Marsupenaeus japonicus ferritin mutant(T158H) pH9.0
分子名称: Ferritin
著者Zhao, G, Tan, X, Zhang, T.
登録日2020-01-16
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Converting histidine-induced 3D protein arrays in crystals into their 3D analogues in solution by metal coordination cross-linking.
Commun Chem, 2020
8FQ7
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BU of 8fq7 by Molmil
Nanobody with WIW inserted in CDR3 loop to Inhibit Growth of Alzheimer's Tau fibrils
分子名称: GLYCEROL, Nanobody with WIW insert in CDR3 loop to target tau fibrils
著者Abskharon, R, Sawaya, M.R, Cascio, D.C, Eisenberg, D.S.
登録日2023-01-05
公開日2023-10-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-based design of nanobodies that inhibit seeding of Alzheimer's patient-extracted tau fibrils.
Proc.Natl.Acad.Sci.USA, 120, 2023
6SJD
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BU of 6sjd by Molmil
ZC3H12B-ribonuclease domain bound to RNA
分子名称: CACODYLATE ION, MAGNESIUM ION, Probable ribonuclease ZC3H12B, ...
著者Morgunova, E, Bourenkov, G, Taipale, J.
登録日2019-08-13
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献Binding specificities of human RNA-binding proteins toward structured and linear RNA sequences.
Genome Res., 30, 2020
8GVK
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BU of 8gvk by Molmil
Cryo-EM structure of streptavidin
分子名称: Streptavidin
著者Liu, N, Zheng, L.M, Peng, H.L, Wang, H.W.
登録日2022-09-15
公開日2022-11-09
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献Uniform thin ice on ultraflat graphene for high-resolution cryo-EM.
Nat.Methods, 20, 2023
8GRA
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BU of 8gra by Molmil
Structure of Type VI secretion system cargo delivery vehicle Hcp-VgrG-PAAR
分子名称: Bacterodales T6SS protein TssD (Hcp), Type VI secretion system spike protein Paar, Type VI secretion system spike protein VgrG
著者Wen, Y, He, W, Zhu, L.
登録日2022-09-01
公開日2023-07-12
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structure and assembly of type VI secretion system cargo delivery vehicle.
Cell Rep, 42, 2023

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