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7P70
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BU of 7p70 by Molmil
The PDZ-domain of SNTB1 complexed with the PDZ-binding motif of HPV35-E6
分子名称: Beta-1-syntrophin,Annexin A2, CALCIUM ION, GLYCEROL, ...
著者Gogl, G, Cousido-Siah, A, Trave, G.
登録日2021-07-19
公開日2022-07-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Quantitative fragmentomics allow affinity mapping of interactomes.
Nat Commun, 13, 2022
5L8Y
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BU of 5l8y by Molmil
Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-937
分子名称: 2-[(4-{5-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}phenyl)formamido]-N-(2-hydroxyethyl)acetamide, FORMIC ACID, GLYCEROL, ...
著者Singh, A.K, Anthonyrajah, E.S, Brown, D.G.
登録日2016-06-08
公開日2018-03-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity.
J. Med. Chem., 61, 2018
7P71
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BU of 7p71 by Molmil
The PDZ domain of MAGI1_2 complexed with the PDZ-binding motif of HPV35-E6
分子名称: CALCIUM ION, CITRIC ACID, GLYCEROL, ...
著者Gogl, G, Cousido-Siah, A, Trave, G.
登録日2021-07-19
公開日2022-07-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Quantitative fragmentomics allow affinity mapping of interactomes.
Nat Commun, 13, 2022
1GNV
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BU of 1gnv by Molmil
CALCIUM INDEPENDENT SUBTILISIN BPN' MUTANT
分子名称: SUBTILISIN BPN'
著者Almog, O, Gilliland, G.L.
登録日2001-10-10
公開日2002-06-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Basis of Thermostability. Analysis of Stabilizing Mutations in Subtilisin Bpn'.
J.Biol.Chem., 277, 2002
2BCB
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BU of 2bcb by Molmil
HIGH-RESOLUTION SOLUTION STRUCTURE OF CALCIUM-LOADED CALBINDIN D9K
分子名称: CALBINDIN D9K
著者Kordel, J, Skelton, N.J, Akke, M, Chazin, W.J.
登録日1993-08-18
公開日1993-10-31
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献High-resolution structure of calcium-loaded calbindin D9k.
J.Mol.Biol., 231, 1993
7P72
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BU of 7p72 by Molmil
The PDZ domain of SNX27 complexed with the PDZ-binding motif of MERS-E
分子名称: CALCIUM ION, Envelope small membrane protein, GLYCEROL, ...
著者Gogl, G, Cousido-Siah, A, Trave, G.
登録日2021-07-19
公開日2022-07-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Quantitative fragmentomics allow affinity mapping of interactomes.
Nat Commun, 13, 2022
3CA6
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BU of 3ca6 by Molmil
Sambucus nigra agglutinin II (SNA-II)- tetragonal crystal form- complexed to Tn antigen
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Maveyraud, L, Mourey, L.
登録日2008-02-19
公開日2008-11-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis for sugar recognition, including the Tn carcinoma antigen, by the lectin SNA-II from Sambucus nigra
Proteins, 75, 2009
7JGE
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BU of 7jge by Molmil
Cryo-EM structure of P. falciparum VAR2CSA FCR3 core at 4 A
分子名称: Erythrocyte membrane protein 1
著者Ma, R, Tolia, N.H.
登録日2020-07-19
公開日2021-01-13
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structural basis for placental malaria mediated by Plasmodium falciparum VAR2CSA.
Nat Microbiol, 6, 2021
5I4L
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BU of 5i4l by Molmil
Crystal structure of Amicoumacin A bound to the yeast 80S ribosome
分子名称: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ...
著者Prokhorova, I.V, Yusupova, G, Yusupov, M.
登録日2016-02-12
公開日2016-06-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Amicoumacin A induces cancer cell death by targeting the eukaryotic ribosome.
Sci Rep, 6, 2016
7JGH
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BU of 7jgh by Molmil
Cryo-EM structure of P. falciparum VAR2CSA NF54 core in complex with CSA at 3.36 A
分子名称: 2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose, Erythrocyte membrane protein 1, beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid
著者Ma, R, Tolia, N.H.
登録日2020-07-19
公開日2021-01-13
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (3.36 Å)
主引用文献Structural basis for placental malaria mediated by Plasmodium falciparum VAR2CSA.
Nat Microbiol, 6, 2021
7JGD
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BU of 7jgd by Molmil
Cryo-EM structure of P. falciparum VAR2CSA FCR3 core at 3.4 A
分子名称: Erythrocyte membrane protein 1
著者Ma, R, Tolia, N.H.
登録日2020-07-19
公開日2021-01-13
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献Structural basis for placental malaria mediated by Plasmodium falciparum VAR2CSA.
Nat Microbiol, 6, 2021
7TNQ
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BU of 7tnq by Molmil
The symmetry-released subpellicular microtubule map from detergent-extracted Toxoplasma cells
分子名称: Microtubule associated protein SPM1, PDI family protein, Tubulin alpha chain, ...
著者Sun, S.Y, Pintilie, G.D, Chen, M.
登録日2022-01-21
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (8.4 Å)
主引用文献Cryo-ET of Toxoplasma parasites gives subnanometer insight into tubulin-based structures.
Proc.Natl.Acad.Sci.USA, 119, 2022
3B2Z
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BU of 3b2z by Molmil
Crystal Structure of ADAMTS4 (apo form)
分子名称: ADAMTS-4, CALCIUM ION, ZINC ION
著者Mosyak, L, Stahl, M, Somers, W.
登録日2007-10-19
公開日2007-12-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of the two major aggrecan degrading enzymes, ADAMTS4 and ADAMTS5.
Protein Sci., 17, 2008
5GVK
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BU of 5gvk by Molmil
Plasmodium vivax SHMT bound with PLP-glycine and GS256
分子名称: 5-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-cyano-phenyl]-~{N},~{N}-dimethyl-thiophene-2-sulfonamide, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G.
登録日2016-09-06
公開日2017-07-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures
J. Med. Chem., 60, 2017
7JHJ
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BU of 7jhj by Molmil
Structure of the Epstein-Barr virus GPCR BILF1 in complex with human Gi
分子名称: Antibody fragment scFv16, BILF1, CHOLESTEROL HEMISUCCINATE, ...
著者Tsutsumi, N, Qu, Q.H, Skiniotis, G, Garcia, K.C.
登録日2020-07-20
公開日2021-07-07
最終更新日2021-07-28
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis for the constitutive activity and immunomodulatory properties of the Epstein-Barr virus-encoded G protein-coupled receptor BILF1.
Immunity, 54, 2021
3BBR
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BU of 3bbr by Molmil
Crystal structure of the iGluR2 ligand binding core (S1S2J-N775S) in complex with a dimeric positive modulator as well as glutamate at 2.25 A resolution
分子名称: CHLORIDE ION, GLUTAMIC ACID, GLYCEROL, ...
著者Kastrup, J.S, Gajhede, M.
登録日2007-11-11
公開日2007-12-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural proof of a dimeric positive modulator bridging two identical AMPA receptor-binding sites
Chem.Biol., 14, 2007
7PG9
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BU of 7pg9 by Molmil
human 20S proteasome
分子名称: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
著者Xu, C, Cong, Y.
登録日2021-08-13
公開日2021-10-20
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献The 20S as a stand-alone proteasome in cells can degrade the ubiquitin tag.
Nat Commun, 12, 2021
5J48
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BU of 5j48 by Molmil
PKG I's Carboyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-pCPT-cGMP
分子名称: 1,2-ETHANEDIOL, 2-amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6H-purin-6-one, CALCIUM ION, ...
著者Campbell, J.C, Sankaran, B, Kim, C.W.
登録日2016-03-31
公開日2017-04-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structural Basis of Analog Specificity in PKG I and II.
ACS Chem. Biol., 12, 2017
5J6N
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BU of 5j6n by Molmil
Crystal Structure of Hsp90-alpha N-domain L107A mutant in complex with 5-[4-(2-Fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-2,4-dihydroxy-N-methyl-N-propyl-benzenesulfonamide
分子名称: 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methyl-N-propylbenzene-1-sulfonamide, Heat shock protein HSP 90-alpha
著者Amaral, M, Matias, P.
登録日2016-04-05
公開日2017-12-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
5J82
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BU of 5j82 by Molmil
Crystal Structure of Hsp90-alpha N-domain in complex 5-[4-(2-Fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-2,4-dihydroxy-N-isopropyl-N-methyl-benzenesulfonamide
分子名称: 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methyl-N-(propan-2-yl)benzene-1-sulfonamide, Heat shock protein HSP 90-alpha
著者Amaral, M, Matias, P.
登録日2016-04-07
公開日2017-12-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
5J85
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BU of 5j85 by Molmil
Ser480Ala mutant of L-arabinonate dehydratase
分子名称: Dihydroxyacid dehydratase/phosphogluconate dehydratase, FE2/S2 (INORGANIC) CLUSTER, MAGNESIUM ION
著者Rahman, M.M, Rouvinen, J, Hakulinen, N.
登録日2016-04-07
公開日2017-06-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Crystal Structure of a Bacterial l-Arabinonate Dehydratase Contains a [2Fe-2S] Cluster.
ACS Chem. Biol., 12, 2017
3BVO
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BU of 3bvo by Molmil
Crystal structure of human co-chaperone protein HscB
分子名称: Co-chaperone protein HscB, mitochondrial precursor, SULFATE ION, ...
著者Bitto, E, Bingman, C.A, McCoy, J.G, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
登録日2008-01-07
公開日2008-01-15
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of human J-type co-chaperone HscB reveals a tetracysteine metal-binding domain.
J.Biol.Chem., 283, 2008
2ORQ
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BU of 2orq by Molmil
Murine Inducible Nitric Oxide Synthase Oxygenase Domain (DELTA 114) 4-(imidazol-1-yl)phenol and piperonylamine Complex
分子名称: 1-(1,3-BENZODIOXOL-5-YL)METHANAMINE, 4-(1H-IMIDAZOL-1-YL)PHENOL, Nitric oxide synthase, ...
著者Adler, M, Whitlow, M.
登録日2007-02-04
公開日2007-04-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
3C0O
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BU of 3c0o by Molmil
Crystal structure of the proaerolysin mutant Y221G complexed with mannose-6-phosphate
分子名称: 6-O-phosphono-alpha-D-mannopyranose, ACETATE ION, Aerolysin
著者Pernot, L, Schiltz, M, Thurnheer, S, Burr, S.E, van der Goot, G.
登録日2008-01-21
公開日2008-02-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular assembly of the aerolysin pore reveals a swirling membrane-insertion mechanism.
Nat.Chem.Biol., 9, 2013
5J9Y
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EGFR-T790M in complex with pyrazolopyrimidine inhibitor 1b
分子名称: (R)-1-(3-(4-amino-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one, Epidermal growth factor receptor
著者Becker, C, Engel, J, Rauh, D.
登録日2016-04-11
公開日2016-08-17
最終更新日2016-09-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Insight into the Inhibition of Drug-Resistant Mutants of the Receptor Tyrosine Kinase EGFR.
Angew.Chem.Int.Ed.Engl., 55, 2016

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