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1MNF
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BU of 1mnf by Molmil
Domain motions in GroEL upon binding of an oligopeptide
分子名称: 12-residue peptide substrate, groEL protein
著者Wang, J, Chen, L.
登録日2002-09-05
公開日2003-10-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Domain Motions in GroEL upon Binding of an Oligopeptide.
J.Mol.Biol., 334, 2003
6H6K
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BU of 6h6k by Molmil
The structure of the FKR mutant of the archaeal translation initiation factor 2 gamma subunit in complex with GDPCP, obtained in the absence of magnesium salts in the crystallization solution.
分子名称: 1,2-ETHANEDIOL, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, SODIUM ION, ...
著者Nikonov, O, Kravchenko, O, Nevskaya, N, Stolboushkina, E, Gabdulkhakov, A, Garber, M, Nikonov, S.
登録日2018-07-27
公開日2019-04-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The third structural switch in the archaeal translation initiation factor 2 (aIF2) molecule and its possible role in the initiation of GTP hydrolysis and the removal of aIF2 from the ribosome.
Acta Crystallogr D Struct Biol, 75, 2019
6ZEZ
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BU of 6zez by Molmil
Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction
分子名称: 1-[3-[(1~{R},3~{S})-3-[(2~{S})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid, Kelch-like ECH-associated protein 1
著者Narayanan, D, Bach, A, Gajhede, M.
登録日2020-06-16
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
9ARD
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BU of 9ard by Molmil
Structure of Pycsar EcPycC cyclase immunoglobulin-like AGS-C domain
分子名称: Cytidylate cyclase
著者Richmond-Buccola, D, Kranzusch, P.J.
登録日2024-02-23
公開日2024-06-19
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献A large-scale type I CBASS antiphage screen identifies the phage prohead protease as a key determinant of immune activation and evasion.
Cell Host Microbe, 2024
9C0O
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BU of 9c0o by Molmil
Crystal structure of DmCfp1 PHD finger bound to H3K4me3
分子名称: CXXC-type zinc finger protein 1, DIMETHYL SULFOXIDE, Histone H3.3C, ...
著者Gregoire, S, Couture, J.F.
登録日2024-05-27
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structural insights into an atypical histone binding mechanism by a PHD finger.
to be published
4ZBJ
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BU of 4zbj by Molmil
UBN1 peptide bound to H3.3/H4/Asf1
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Histone H3, ...
著者Marmorstein, R, Ricketts, M.D, Tang, Y.
登録日2015-04-14
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.248 Å)
主引用文献Ubinuclein-1 confers histone H3.3-specific-binding by the HIRA histone chaperone complex.
Nat Commun, 6, 2015
8RIV
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BU of 8riv by Molmil
T2R-TTL-1-K08 complex
分子名称: (4-fluoranyl-2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Boiarska, Z, Homer, J.A, Steinmetz, M.O, Moses, J.E, Prota, A.E.P.
登録日2023-12-19
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Modular synthesis of functional libraries by accelerated SuFEx click chemistry.
Chem Sci, 15, 2024
8RIW
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BU of 8riw by Molmil
T2R-TTL-1-L01 complex
分子名称: (2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Prota, A.E.P, Boiarska, Z, Homer, J.A, Steinmetz, M.O, Moses, J.E.
登録日2023-12-19
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Modular synthesis of functional libraries by accelerated SuFEx click chemistry.
Chem Sci, 15, 2024
8ROO
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BU of 8roo by Molmil
Crystal structure of HLA B*18:01 in complex with YERMCNIL, an 8-mer epitope from Influenza A
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, Influenza A derived peptide/Nucleoprotein, ...
著者Murdolo, L.D, Maddumage, J.C, Gras, S.
登録日2024-01-11
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of HLA B*18:01 in complex with YERMCNIL, an 8-mer epitope from Influenza A
To Be Published
8ROP
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BU of 8rop by Molmil
Crystal structure of HLA B*18:01 in complex with QEIRTFSF, an 8-mer epitope from Influenza A
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ...
著者Murdolo, L.D, Maddumage, J.C, Gras, S.
登録日2024-01-12
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Crystal structure of HLA B*18:01 in complex with QEIRTFSF, an 8-mer epitope from Influenza A
To Be Published
9EUU
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BU of 9euu by Molmil
Structure of recombinant alpha-synuclein fibrils 1B capable of seeding GCIs in vivo
分子名称: Alpha-synuclein
著者Burger, D, Kashyrina, M, Lewis, A, De Nuccio, F, Mohammed, I, de La Seigliere, H, van den Heuvel, L, Feuillie, C, Verchere, J, Berbon, M, Arotcarena, M, Retailleau, A, Bezard, E, Laferriere, F, Loquet, A, Bousset, L, Baron, T, Lofrumento, D.D, De Giorgi, F, Stahlberg, H, Ichas, F.
登録日2024-03-28
公開日2024-06-05
実験手法ELECTRON MICROSCOPY (1.93 Å)
主引用文献Multiple System Atrophy: Insights from aSyn Fibril Structure
To Be Published
8SCA
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BU of 8sca by Molmil
Rec3 Domain from S. pyogenes Cas9
分子名称: 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9/Csn1
著者D'Ordine, A.M, Skeens, E, Lisi, G.P, Jogl, G.
登録日2023-04-05
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献High-fidelity, hyper-accurate, and evolved mutants rewire atomic-level communication in CRISPR-Cas9.
Sci Adv, 10, 2024
6D4L
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BU of 6d4l by Molmil
Joint X-ray/neutron structure of DNA oligonucleotide d(GTGGCCAC)2 with 2'-SeCH3 modification on Cyt5
分子名称: DNA (5'-D(*GP*TP*GP*GP*(CSL)P*CP*AP*C)-3'), MAGNESIUM ION
著者Kovalevsky, A, Huang, Z, Vandavasi, V.G.
登録日2018-04-18
公開日2018-10-17
最終更新日2023-10-04
実験手法NEUTRON DIFFRACTION (1.56 Å), X-RAY DIFFRACTION
主引用文献Temperature-Induced Replacement of Phosphate Proton with Metal Ion Captured in Neutron Structures of A-DNA.
Structure, 26, 2018
6D54
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BU of 6d54 by Molmil
Low Temperature joint X-ray/neutron structure of DNA oligonucleotide d(GTGGCCAC)2 with 2'-SeCH3 modification on Cyt5
分子名称: DNA (5'-D(*GP*TP*GP*GP*(CSL)P*CP*AP*C)-3'), MAGNESIUM ION
著者Kovalevsky, A, Huang, Z, Vandavasi, V.G.
登録日2018-04-19
公開日2018-10-17
最終更新日2023-10-04
実験手法NEUTRON DIFFRACTION (1.65 Å), X-RAY DIFFRACTION
主引用文献Temperature-Induced Replacement of Phosphate Proton with Metal Ion Captured in Neutron Structures of A-DNA.
Structure, 26, 2018
4XT0
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BU of 4xt0 by Molmil
Crystal Structure of Beta-etherase LigF from Sphingobium sp. strain SYK-6
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLUTATHIONE, PENTAETHYLENE GLYCOL, ...
著者Helmich, K.E, Bingman, C.A, Donohue, T.J, Phillips Jr, G.N.
登録日2015-01-22
公開日2016-02-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural Basis of Stereospecificity in the Bacterial Enzymatic Cleavage of beta-Aryl Ether Bonds in Lignin.
J.Biol.Chem., 291, 2016
1YT5
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BU of 1yt5 by Molmil
Crystal structure of NAD kinase from Thermotoga maritima
分子名称: SULFATE ION, inorganic polyphosphate/ATP-NAD kinase
著者Berkeley Structural Genomics Center (BSGC)
登録日2005-02-09
公開日2005-04-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of a NAD kinase from Thermotoga maritima at 2.3 A resolution.
Acta Crystallogr.,Sect.F, 61, 2005
5H33
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BU of 5h33 by Molmil
Structural basis for dimerization of the death effector domains of Caspase-8
分子名称: Caspase-8
著者Shen, C, Pei, J, Guo, X, Quan, J.
登録日2016-10-20
公開日2017-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.600138 Å)
主引用文献Structural basis for dimerization of the death effector domains of Caspase-8
To Be Published
2QZO
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BU of 2qzo by Molmil
Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with WAY-169916
分子名称: 4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
著者Bruning, J.B, Gil, G, Nowak, J, Katzenellenbogen, J, Nettles, K.W.
登録日2007-08-16
公開日2008-08-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Coupling of receptor conformation and ligand orientation determine graded activity.
Nat.Chem.Biol., 6, 2010
5WEY
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BU of 5wey by Molmil
Joint X-ray/neutron structure of Concanavalin A with alpha1-2 D-mannobiose
分子名称: CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ...
著者Kovalevsky, A, Gerlits, O.O, Woods, R.J.
登録日2017-07-11
公開日2017-09-13
最終更新日2023-10-04
実験手法NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
主引用文献Mannobiose Binding Induces Changes in Hydrogen Bonding and Protonation States of Acidic Residues in Concanavalin A As Revealed by Neutron Crystallography.
Biochemistry, 56, 2017
8RGQ
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BU of 8rgq by Molmil
Open Complex I from murine liver
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
著者Vercellino, I, Sazanov, L.A.
登録日2023-12-14
公開日2024-04-24
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献SCAF1 drives the compositional diversity of mammalian respirasomes.
Nat.Struct.Mol.Biol., 2024
8RGP
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BU of 8rgp by Molmil
Closed Complex I from murine brain
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
著者Vercellino, I, Sazanov, L.A.
登録日2023-12-14
公開日2024-04-24
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献SCAF1 drives the compositional diversity of mammalian respirasomes.
Nat.Struct.Mol.Biol., 2024
8RGR
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BU of 8rgr by Molmil
Closed Complex I from murine liver
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
著者Vercellino, I, Sazanov, L.A.
登録日2023-12-14
公開日2024-04-24
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献SCAF1 drives the compositional diversity of mammalian respirasomes.
Nat.Struct.Mol.Biol., 2024
8RGT
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BU of 8rgt by Molmil
Open Complex I from murine brain
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
著者Vercellino, I, Sazanov, L.A.
登録日2023-12-14
公開日2024-04-24
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献SCAF1 drives the compositional diversity of mammalian respirasomes.
Nat.Struct.Mol.Biol., 2024
7QKB
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BU of 7qkb by Molmil
Crystal structure of human Cathepsin L in complex with covalently bound GC376
分子名称: CHLORIDE ION, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
著者Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
登録日2021-12-17
公開日2022-12-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
7QKA
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BU of 7qka by Molmil
Crystal structure of SARS-CoV-2 Main Protease in complex with covalently bound GC376
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
登録日2021-12-17
公開日2022-12-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023

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