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8FDM
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BU of 8fdm by Molmil
Human Hemoglobin in Complex with Nitrosomethane
分子名称: GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Powell, S.M, Richter-Addo, G.B, Thomas, L.M.
登録日2022-12-03
公開日2023-07-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin.
J.Inorg.Biochem., 246, 2023
6AC2
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BU of 6ac2 by Molmil
Crystal Structure of HEWL at pH 2.2
分子名称: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
著者Seyedarabi, A, Seraj, Z.
登録日2018-07-24
公開日2019-07-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Cinnamaldehyde and Phenyl Ethyl Alcohol promote the entrapment of intermediate species of HEWL, as revealed by structural, kinetics and thermal stability studies.
Sci Rep, 9, 2019
6L63
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BU of 6l63 by Molmil
Human Coagulation Factor XIIa (FXIIa) bound with the macrocyclic peptide F3 containing two (1S,2S)-2-ACHC residues
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYL GROUP, ...
著者Sengoku, T, Katoh, T, Hirata, K, Suga, H, Ogata, K.
登録日2019-10-26
公開日2020-09-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Ribosomal synthesis and de novo discovery of bioactive foldamer peptides containing cyclic beta-amino acids.
Nat.Chem., 12, 2020
5VFM
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BU of 5vfm by Molmil
Crystal structure of BnSP-7 from Bothrops pauloensis complexed with p-coumaric acid
分子名称: 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, 4'-HYDROXYCINNAMIC ACID, Basic phospholipase A2 homolog BnSP-7, ...
著者De Lima, L.F.G, Fontes, M.R.M.
登録日2017-04-08
公開日2017-12-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.058 Å)
主引用文献Structural studies with BnSP-7 reveal an atypical oligomeric conformation compared to phospholipases A2-like toxins.
Biochimie, 142, 2017
7LYE
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BU of 7lye by Molmil
Myotoxin I from Bothrops moojeni co-crystallized with synthetic inhibitor Varespladib (LY315920)
分子名称: ({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1H-indol-4-yl}oxy)acetic acid, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Basic phospholipase A2 homolog BomoTx
著者Salvador, G.H.M, Borges, R.J, Fontes, M.R.M.
登録日2021-03-06
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.758 Å)
主引用文献The synthetic varespladib molecule is a multi-functional inhibitor for PLA 2 and PLA 2 -like ophidic toxins.
Biochim Biophys Acta Gen Subj, 1865, 2021
6D3B
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BU of 6d3b by Molmil
INFLUENZA VIRUS NEURAMINIDASE SUBTYPE N9 (TERN) APO FORM
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Streltsov, V.A, Schmidt, P, McKimm-Breschkin, J.
登録日2018-04-15
公開日2019-01-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure of an Influenza A virus N9 neuraminidase with a tetrabrachion-domain stalk.
Acta Crystallogr.,Sect.F, 75, 2019
6L6M
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BU of 6l6m by Molmil
HSP18.5 from E. histolytica
分子名称: Heat shock protein hsp20 family putative
著者Kurre, D, Suguna, K.
登録日2019-10-29
公開日2020-11-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.28000379 Å)
主引用文献Network of Entamoeba histolytica HSP18.5 dimers formed by two overlapping [IV]-X-[IV] motifs.
Proteins, 2021
8ELK
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BU of 8elk by Molmil
HRAS R97F Crystal Form 1
分子名称: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
著者Johnson, C.W, Mattos, C.
登録日2022-09-26
公開日2023-09-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
6D3L
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BU of 6d3l by Molmil
Crystal structure of unphosphorylated human PKR
分子名称: Interferon-induced, double-stranded RNA-activated protein kinase
著者Erlandsen, H, Mayo, C, Robinson, V.L, Cole, J.L.
登録日2018-04-16
公開日2019-07-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural Basis of Protein Kinase R Autophosphorylation.
Biochemistry, 58, 2019
8ELX
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BU of 8elx by Molmil
HRAS R97I Crystal Form 1
分子名称: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
著者Johnson, C.W, Mattos, C.
登録日2022-09-26
公開日2023-09-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.975 Å)
主引用文献Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
7LZ4
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BU of 7lz4 by Molmil
Crystal structure of A211D mutant of Protein Kinase A RIa subunit, a Carney Complex mutation
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, cAMP-dependent protein kinase type I-alpha regulatory subunit, N-terminally processed
著者Del Rio, J, Wu, J, Taylor, S.S.
登録日2021-03-08
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (4.155 Å)
主引用文献Noncanonical protein kinase A activation by oligomerization of regulatory subunits as revealed by inherited Carney complex mutations.
Proc.Natl.Acad.Sci.USA, 118, 2021
6CRE
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BU of 6cre by Molmil
Dehaloperoxidase B in complex with 5-Br-ortho-guaiacol
分子名称: 5-bromo-2-methoxyphenol, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Carey, L.M, Ghiladi, R.A.
登録日2018-03-17
公開日2019-03-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Peroxidase versus Peroxygenase Activity: Substrate Substituent Effects as Modulators of Enzyme Function in the Multifunctional Catalytic Globin Dehaloperoxidase.
Biochemistry, 57, 2018
7DJO
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BU of 7djo by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 17
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol
著者Wei, T, Xiao, J.
登録日2020-11-20
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.499 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
6ASE
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BU of 6ase by Molmil
KRAS mutant-A59G in GDP-bound
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Westover, K, Lu, J.
登録日2017-08-24
公開日2018-01-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.554 Å)
主引用文献KRAS Switch Mutants D33E and A59G Crystallize in the State 1 Conformation.
Biochemistry, 57, 2018
4PHH
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BU of 4phh by Molmil
Crystal structure of Ypt7 covalently modified with GNP
分子名称: 5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-N-[3-(propanoylamino)propyl]guanosine, CHLORIDE ION, GTP-binding protein YPT7, ...
著者Wiegandt, D, Vieweg, S, Hofmann, F, Koch, D, Wu, Y, Itzen, A, Mueller, M.P, Goody, R.S.
登録日2014-05-06
公開日2014-05-28
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Locking GTPases covalently in their functional states.
Nat Commun, 6, 2015
7UIR
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BU of 7uir by Molmil
Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and Tiam1 in complex with ATP
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type II subunit alpha, ...
著者Ozden, C, Stratton, M.M, Garman, S.C.
登録日2022-03-29
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
8ELT
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BU of 8elt by Molmil
HRAS R97G Crystal Form 2
分子名称: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
著者Johnson, C.W, Mattos, C.
登録日2022-09-26
公開日2023-09-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
8ELV
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BU of 8elv by Molmil
HRAS R97I Crystal Form 2
分子名称: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
著者Johnson, C.W, Mattos, C.
登録日2022-09-26
公開日2023-09-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.153 Å)
主引用文献Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
5VIL
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BU of 5vil by Molmil
Crystal structure of ASK1 kinase domain with a potent inhibitor (analog 6)
分子名称: 2-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-5-sulfamoylbenzamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase kinase kinase 5
著者Jasti, J, Chang, J, Kurumbail, R.
登録日2017-04-17
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Rational approach to highly potent and selective apoptosis signal-regulating kinase 1 (ASK1) inhibitors.
Eur J Med Chem, 145, 2017
6ASA
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BU of 6asa by Molmil
KRAS mutant-D33E in GDP-bound
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Lu, J, Westover, K.
登録日2017-08-24
公開日2018-01-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.545 Å)
主引用文献KRAS Switch Mutants D33E and A59G Crystallize in the State 1 Conformation.
Biochemistry, 57, 2018
8EM0
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BU of 8em0 by Molmil
HRAS R97V Crystal Form 1
分子名称: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
著者Johnson, C.W, Mattos, C.
登録日2022-09-26
公開日2023-09-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.109 Å)
主引用文献Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
6LAZ
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BU of 6laz by Molmil
the wildtype SAM-VI riboswitch bound to a N-mustard SAM analog M1
分子名称: (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-hydroxyethyl)amino]-2-azaniumyl-butanoate, MAGNESIUM ION, RNA (55-MER), ...
著者Ren, A, Sun, A.
登録日2019-11-13
公開日2020-01-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献SAM-VI riboswitch structure and signature for ligand discrimination.
Nat Commun, 10, 2019
8ELR
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BU of 8elr by Molmil
HRAS R97F Crystal Form 2
分子名称: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
著者Johnson, C.W, Mattos, C.
登録日2022-09-26
公開日2023-09-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
7UD7
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BU of 7ud7 by Molmil
Crystal structure of deoxygenated hemoglobin in complex with 5HMF-NO at 1.8 Angstrom
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Donkor, A.K, Musayev, F.N, Safo, M.K.
登録日2022-03-18
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design, Synthesis, and Antisickling Investigation of a Nitric Oxide-Releasing Prodrug of 5HMF for the Treatment of Sickle Cell Disease.
Biomolecules, 12, 2022
4PHG
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BU of 4phg by Molmil
Crystal structure of Ypt7 covalently modified with GTP
分子名称: GTP-binding protein YPT7, MAGNESIUM ION, N-[3-(propanoylamino)propyl]guanosine 5'-(tetrahydrogen triphosphate), ...
著者Koch, D, Wiegandt, D, Vieweg, S, Hofmann, F, Wu, Y, Itzen, A, Mueller, M.P, Goody, R.S.
登録日2014-05-06
公開日2014-05-28
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Locking GTPases covalently in their functional states.
Nat Commun, 6, 2015

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件を2024-08-07に公開中

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