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7Q65
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Cryo-em structure of the Nup98 fibril polymorph 2
分子名称: Nuclear pore complex protein Nup98
著者Ibanez de Opakua, A, Geraets, J.A, Frieg, B, Dienemann, C, Savastano, A, Rankovic, M, Cima-Omori, M.-S, Schroeder, G.F, Zweckstetter, M.
登録日2021-11-05
公開日2022-10-12
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献Molecular interactions of FG nucleoporin repeats at high resolution.
Nat.Chem., 14, 2022
7Q67
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Cryo-em structure of the Nup98 fibril polymorph 4
分子名称: Nuclear pore complex protein Nup98
著者Ibanez de Opakua, A, Geraets, J.A, Frieg, B, Dienemann, C, Savastano, A, Rankovic, M, Cima-Omori, M.-S, Schroeder, G.F, Zweckstetter, M.
登録日2021-11-05
公開日2022-10-12
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.37 Å)
主引用文献Molecular interactions of FG nucleoporin repeats at high resolution.
Nat.Chem., 14, 2022
3R34
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Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant E73D complexed with CoA
分子名称: 1,2-ETHANEDIOL, 4-hydroxybenzoyl-CoA thioesterase, COENZYME A
著者Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D.
登録日2011-03-15
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
3R3F
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Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant T77A complexed with 4-hydroxyphenacyl CoA
分子名称: 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase
著者Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D.
登録日2011-03-15
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
7Q66
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Cryo-em structure of the Nup98 fibril polymorph 3
分子名称: Nuclear pore complex protein Nup98
著者Ibanez de Opakua, A, Geraets, J.A, Frieg, B, Dienemann, C, Savastano, A, Rankovic, M, Cima-Omori, M.-S, Schroeder, G.F, Zweckstetter, M.
登録日2021-11-05
公開日2022-10-12
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献Molecular interactions of FG nucleoporin repeats at high resolution.
Nat.Chem., 14, 2022
7PZO
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BU of 7pzo by Molmil
mite allergen Der p 3 from Dermatophagoides pteronyssinus
分子名称: SULFATE ION, mite allergen Der p 3
著者Timofeev, V.I, Shevtsov, M.B, Abramchik, Y.A, Mikheeva, O.O, Kostromina, M.A, Lykoshin, D.D, Zayats, E.A, Zavriev, S.K, Esipov, R.S, Kuranova, I.P.
登録日2021-10-13
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural plasticity and thermal stability of the histone-like protein from Spiroplasma melliferum are due to phenylalanine insertions into the conservative scaffold.
J.Biomol.Struct.Dyn., 36, 2018
7NY0
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Solution structure of Boskar4; a de novo designed G-CSF agonist
分子名称: Boskar4
著者ElGamacy, M, Coles, M.
登録日2021-03-19
公開日2021-10-06
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献A topological refactoring design strategy yields highly stable granulopoietic proteins.
Nat Commun, 13, 2022
7PO7
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Phosphoglycolate phosphatase from Mus musculus
分子名称: ACETATE ION, CALCIUM ION, GLYCEROL, ...
著者Schloetzer, J, Schindelin, H, Fratz, S.
登録日2021-09-08
公開日2022-12-21
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Glycolytic flux control by drugging phosphoglycolate phosphatase.
Nat Commun, 13, 2022
7POE
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Phosphoglycolate Phosphatase with Inhibitor CP1
分子名称: 2-[[4-[4-[(2-carboxyphenyl)carbamoyl]phenoxy]phenyl]carbonylamino]benzoic acid, GLYCEROL, Glycerol-3-phosphate phosphatase, ...
著者Schloetzer, J, Fratz, S, Schindelin, H.
登録日2021-09-08
公開日2022-12-21
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献Glycolytic flux control by drugging phosphoglycolate phosphatase.
Nat Commun, 13, 2022
3QYO
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BU of 3qyo by Molmil
Sensitivity of receptor internal motions to ligand binding affinity and kinetic off-rate
分子名称: CALCIUM ION, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Collins, E.J, Lee, A.L, Carroll, M.J, Mauldin, R.V, Gromova, A.V, Singleton, S.F.
登録日2011-03-03
公開日2012-01-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Evidence for dynamics in proteins as a mechanism for ligand dissociation.
Nat.Chem.Biol., 8, 2012
7QG7
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BU of 7qg7 by Molmil
SARS-CoV-2 macrodomain Nsp3b bound to the remdesivir nucleoside GS-441524
分子名称: (2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile, 1,2-ETHANEDIOL, Papain-like protease nsp3
著者Wollenhaupt, J, Linhard, V, Sreeramulu, S, Weiss, M.S, Schwalbe, H.
登録日2021-12-07
公開日2021-12-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Binding Adaptation of GS-441524 Diversifies Macro Domains and Downregulates SARS-CoV-2 de-MARylation Capacity.
J.Mol.Biol., 434, 2022
3R35
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BU of 3r35 by Molmil
Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant E73D complexed with 4-hydroxyphenacyl CoA
分子名称: 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase
著者Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D.
登録日2011-03-15
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
7Q9S
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BU of 7q9s by Molmil
Crystal structure of PDE6D KRas peptide complex with Compound-1
分子名称: 1,2-ETHANEDIOL, 2-methyl-3-(1~{H}-pyrazol-5-yl)imidazo[1,2-a]pyridine, DIMETHYL SULFOXIDE, ...
著者Yelland, T, Ismail, S.
登録日2021-11-14
公開日2022-01-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Stabilization of the RAS:PDE6D Complex Is a Novel Strategy to Inhibit RAS Signaling.
J.Med.Chem., 65, 2022
3TGI
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BU of 3tgi by Molmil
WILD-TYPE RAT ANIONIC TRYPSIN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI)
分子名称: BOVINE PANCREATIC TRYPSIN INHIBITOR, CALCIUM ION, SULFATE ION, ...
著者Pasternak, A, Ringe, D, Hedstrom, L.
登録日1998-07-15
公開日1998-12-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Comparison of Anionic and Cationic Trypsinogens: The Anionic Activation Domain is More Flexible in Solution and Differs in its Mode of Bpti Binding in the Crystal Structure
Protein Sci., 8, 1999
7QJK
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BU of 7qjk by Molmil
Crystal structure of PDE6D in complex with Compound-2
分子名称: 1,2-ETHANEDIOL, N-(phenylmethyl)pyridin-2-amine, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, ...
著者Yelland, T, Ismail, S.
登録日2021-12-16
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Stabilization of the RAS:PDE6D Complex Is a Novel Strategy to Inhibit RAS Signaling.
J.Med.Chem., 65, 2022
7NT4
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BU of 7nt4 by Molmil
X-ray structure of SCoV2-PLpro in complex with small molecule inhibitor
分子名称: 1,2-ETHANEDIOL, Non-structural protein 3, PROFLAVIN, ...
著者Napolitano, V, Mourao, A, Bostock, M, Matsuda, A, Czarna, A, Popowicz, G.M.
登録日2021-03-09
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Acriflavine, a clinically approved drug, inhibits SARS-CoV-2 and other betacoronaviruses.
Cell Chem Biol, 29, 2022
3TGJ
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BU of 3tgj by Molmil
S195A TRYPSINOGEN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI)
分子名称: BOVINE PANCREATIC TRYPSIN INHIBITOR, CALCIUM ION, SULFATE ION, ...
著者Pasternak, A, Ringe, D, Hedstrom, L.
登録日1998-07-16
公開日1998-12-23
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Comparison of Anionic and Cationic Trypsinogens: The Anionic Activation Domain is More Flexible in Solution and Differs in its Mode of Bpti Binding in the Crystal Structure
Protein Sci., 8, 1999
7NTQ
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BU of 7ntq by Molmil
Crystal structure of the SARS-CoV-2 Main Protease complexed with N-(pyridin-3-ylmethyl)thioformamide
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Dupre, E, Villeret, V, Hanoulle, X.
登録日2021-03-10
公開日2022-03-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.495 Å)
主引用文献Novel dithiocarbamates selectively inhibit 3CL protease of SARS-CoV-2 and other coronaviruses.
Eur.J.Med.Chem., 250, 2023
3RFV
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BU of 3rfv by Molmil
Crystal structure of Uronate dehydrogenase from Agrobacterium tumefaciens complexed with NADH and product
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, D-galactaro-1,5-lactone, PHOSPHATE ION, ...
著者Parkkinen, T, Rouvinen, J.
登録日2011-04-07
公開日2011-06-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Uronate Dehydrogenase from Agrobacterium tumefaciens.
J.Biol.Chem., 286, 2011
7QDW
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BU of 7qdw by Molmil
Solution structure of the complex between plasmodial ZNHIT3 and NUFIP1 proteins
分子名称: NUFIP1 domain-containing protein, Zinc finger protein, putative
著者Chagot, M.E, Quinternet, M.
登録日2021-11-30
公開日2022-03-30
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Structural Analysis of the Plasmodial Proteins ZNHIT3 and NUFIP1 Provides Insights into the Selectivity of a Conserved Interaction.
Biochemistry, 61, 2022
3RS3
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BU of 3rs3 by Molmil
H-Ras soaked in neat hexane: 1 of 10 in MSCS set
分子名称: CALCIUM ION, GTPase HRas, HEXANE, ...
著者Mattos, C, Buhrman, G, Kearney, B.
登録日2011-05-02
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Analysis of Binding Site Hot Spots on the Surface of Ras GTPase.
J.Mol.Biol., 413, 2011
3RSL
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BU of 3rsl by Molmil
H-Ras soaked in 90% R,S,R-bisfuranol: one of 10 in MSCS set
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-ol, CALCIUM ION, GTPase HRas, ...
著者Mattos, C, Buhrman, G, Kearney, B.
登録日2011-05-02
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Analysis of Binding Site Hot Spots on the Surface of Ras GTPase.
J.Mol.Biol., 413, 2011
3R85
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Crystal structure of human SOUL BH3 domain in complex with Bcl-xL
分子名称: Bcl-2-like protein 1, Heme-binding protein 2, SULFATE ION
著者Ambrosi, E.K, Capaldi, S, Bovi, M, Saccomani, G, Perduca, M, Monaco, H.L.
登録日2011-03-23
公開日2011-06-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural changes in the BH3 domain of SOUL protein upon interaction with the anti-apoptotic protein Bcl-xL.
Biochem.J., 438, 2011
3RDJ
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Rat PKC C2 domain Apo
分子名称: Protein kinase C alpha type
著者Li, P.
登録日2011-04-01
公開日2011-09-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Pb2+ as modulator of protein-membrane interactions.
J.Am.Chem.Soc., 133, 2011
3R8K
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Crystal structure of human SOUL protein (hexagonal form)
分子名称: Heme-binding protein 2
著者Ambrosi, E.K, Capaldi, S, Bovi, M, Saccomani, G, Perduca, M, Monaco, H.L.
登録日2011-03-24
公開日2011-06-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural changes in the BH3 domain of SOUL protein upon interaction with the anti-apoptotic protein Bcl-xL.
Biochem.J., 438, 2011

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