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7WBO
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Crystal structure of Sarcoplasmic Calcium-Binding Protein from Scylla paramamosain
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, SODIUM ION, ...
著者Chen, Y, Jin, T, Liu, G.
登録日2021-12-17
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure Analysis of Sarcoplasmic-Calcium-Binding Protein: An Allergen in Scylla paramamosain.
J.Agric.Food Chem., 71, 2023
7MGU
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BU of 7mgu by Molmil
Improved ligand discovery using micro-beam data collection at the edge of protein crystals
分子名称: 1,2-ETHANEDIOL, ARGININE, Endo-1,4-beta-xylanase, ...
著者Soares, A.S, Jakoncic, J.
登録日2021-04-13
公開日2021-09-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Improved ligand discovery using micro-beam data collection at the edge of protein crystals
To Be Published
7KM6
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BU of 7km6 by Molmil
APOBEC3B antibody 5G7 Fv-clasp
分子名称: 1,2-ETHANEDIOL, 5G7 human monoclonal FAB heavy chain, 5G7 human monoclonal FAB light chain, ...
著者Tang, H, Shi, K, Aihara, H.
登録日2020-11-02
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structural Characterization of a Minimal Antibody against Human APOBEC3B.
Viruses, 13, 2021
1ZVD
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BU of 1zvd by Molmil
Regulation of Smurf2 Ubiquitin Ligase Activity by Anchoring the E2 to the HECT domain
分子名称: PHOSPHATE ION, SODIUM ION, Smad ubiquitination regulatory factor 2
著者Ogunjimi, A.A, Briant, D.J, Pece-Barbara, N, Le Roy, C, Di Guglielmo, G.M, Kavsak, P, Rasmussen, R.K, Seet, B.T, Sicheri, F, Wrana, J.L.
登録日2005-06-01
公開日2005-08-09
最終更新日2011-09-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Regulation of Smurf2 Ubiquitin Ligase Activity by Anchoring the E2 to the HECT Domain.
Mol.Cell, 19, 2005
7X8C
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BU of 7x8c by Molmil
Crystal structure of a KTSC family protein from Euryarchaeon Methanolobus vulcani
分子名称: KTSC domain-containing protein, SODIUM ION
著者Zhang, Z.F, Zhu, K.L, Chen, Y.Y, Cao, P, Gong, Y.
登録日2022-03-12
公開日2022-08-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Biochemical and structural characterization of a KTSC family single-stranded DNA-binding protein from Euryarchaea.
Int.J.Biol.Macromol., 216, 2022
7L0Z
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BU of 7l0z by Molmil
Spinach variant bound to DFHBI-1T
分子名称: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4H-imidazol-4-one, MAGNESIUM ION, PHOSPHATE ION, ...
著者Truong, L, Trachman, R.J, Ferre-D'Amare, A.R.
登録日2020-12-13
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Fluorogenic aptamers resolve the flexibility of RNA junctions using orientation-dependent FRET.
Rna, 27, 2021
1Y4A
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BU of 1y4a by Molmil
Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59R/E60S mutant
分子名称: CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ...
著者Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E.
登録日2004-11-30
公開日2005-05-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2
Biochemistry, 44, 2005
7KN8
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BU of 7kn8 by Molmil
Crystal structure of the GH74 xyloglucanase from Xanthomonas campestris (Xcc1752)
分子名称: 1,2-ETHANEDIOL, Cellulase, IODIDE ION, ...
著者Araujo, E.A, Vieira, P.S, Murakami, M.T, Polikarpov, I.
登録日2020-11-04
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Xyloglucan processing machinery in Xanthomonas pathogens and its role in the transcriptional activation of virulence factors
Nature Communications, 12, 2021
1Y34
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BU of 1y34 by Molmil
Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 E60A mutant
分子名称: CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ...
著者Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E.
登録日2004-11-23
公開日2005-05-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2
Biochemistry, 44, 2005
7WZV
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BU of 7wzv by Molmil
The structure of a Twitch Radical SAM Dehydrogenase SpeY
分子名称: (1~{S},2~{R},4~{S},5~{R})-2,4-bis(methylamino)-6-[(2~{S},3~{R},4~{S},6~{R})-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-cyclohexane-1,3,5-triol, 1,2-ETHANEDIOL, 4Fe-4S cluster-binding domain-containing protein, ...
著者Zhou, J.H, Hou, X.L.
登録日2022-02-19
公開日2022-12-28
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.899313 Å)
主引用文献Dioxane Bridge Formation during the Biosynthesis of Spectinomycin Involves a Twitch Radical S -Adenosyl Methionine Dehydrogenase That May Have Evolved from an Epimerase.
J.Am.Chem.Soc., 144, 2022
7MJZ
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BU of 7mjz by Molmil
The structure of MiaB with pentasulfide bridge
分子名称: IRON/SULFUR CLUSTER, PENTASULFIDE-SULFUR, SODIUM ION, ...
著者Esakova, O.A, Grove, T.L, Yennawar, N.H, Arcinas, A.J, Wang, B, Krebs, C, Almo, S.C, Booker, S.J.
登録日2021-04-20
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structural basis for tRNA methylthiolation by the radical SAM enzyme MiaB.
Nature, 597, 2021
7X0B
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BU of 7x0b by Molmil
The structure of a Twitch Radical SAM Dehydrogenase SpeY
分子名称: 4Fe-4S cluster-binding domain-containing protein, CHLORIDE ION, GLYCEROL, ...
著者Hou, X.L, Zhou, J.H.
登録日2022-02-21
公開日2022-12-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.02027535 Å)
主引用文献Dioxane Bridge Formation during the Biosynthesis of Spectinomycin Involves a Twitch Radical S -Adenosyl Methionine Dehydrogenase That May Have Evolved from an Epimerase.
J.Am.Chem.Soc., 144, 2022
7M2L
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BU of 7m2l by Molmil
The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the alpha-and beta-site, sodium ion at the metal coordination site, and another F6F molecule at the enzyme beta-site at 1.60 Angstrom resolution. Two of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring
分子名称: 1,2-ETHANEDIOL, 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, CHLORIDE ION, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J.
登録日2021-03-16
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the alpha-and beta-site, sodium ion at the metal coordination site, and another F6F molecule at the enzyme beta-site at 1.60 Angstrom resolution.
To be Published
7MJX
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MiaB in the complex with 5'-deoxyadenosine, methionine and RNA
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-DEOXYADENOSINE, FE3-S4 CLUSTER, ...
著者Esakova, O.A, Grove, T.L, Yennawar, N.H, Arcinas, A.J, Wang, B, Krebs, C, Almo, S.C, Booker, S.J.
登録日2021-04-20
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis for tRNA methylthiolation by the radical SAM enzyme MiaB.
Nature, 597, 2021
7M3S
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BU of 7m3s by Molmil
The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the alpha-and beta-site, sodium ion at the metal coordination site, and another F6F molecule at the enzyme beta-site at 1.55 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring
分子名称: 1,2-ETHANEDIOL, 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, CHLORIDE ION, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J.
登録日2021-03-18
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the alpha-and beta-site, sodium ion at the metal coordination site, and another F6F molecule at the enzyme beta-site at 1.55 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring.
To be Published
7XCL
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BU of 7xcl by Molmil
Crystal structure of trimethylamine methyltransferase MttB from Methanosarcina barkeri at 2.5 A resolution
分子名称: GLYCEROL, SODIUM ION, Trimethylamine methyltransferase
著者Li, J, Chan, M.K.
登録日2022-03-24
公開日2023-01-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Insights into pyrrolysine function from structures of a trimethylamine methyltransferase and its corrinoid protein complex.
Commun Biol, 6, 2023
7XEE
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BU of 7xee by Molmil
Crystal Structure of the Y53F/N55A mutant of LEH complexed with 2-(3-phenyloxetan-3-yl)ethanamine
分子名称: 1,2-ETHANEDIOL, 2-(3-phenyloxetan-3-yl)ethanamine, Limonene-1,2-epoxide hydrolase, ...
著者Qu, G, Li, X, Sun, Z.T.
登録日2022-03-31
公開日2023-01-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.877 Å)
主引用文献Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles.
Nat Commun, 13, 2022
7XCM
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BU of 7xcm by Molmil
Crystal structure of sulfite MttB structure at 3.2 A resolution
分子名称: 3-METHYL-5-SULFO-PYRROLIDINE-2-CARBOXYLIC ACID, GLYCEROL, SODIUM ION, ...
著者Li, J, Chan, M.K.
登録日2022-03-24
公開日2023-01-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Insights into pyrrolysine function from structures of a trimethylamine methyltransferase and its corrinoid protein complex.
Commun Biol, 6, 2023
1YIL
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BU of 1yil by Molmil
Structure of Hen egg white lysozyme soaked with Cu2-Xylylbicyclam
分子名称: 1,1'-[1,4-PHENYLENEBIS(METHYLENE)]BIS[1,4,8,11-TETRAAZA-CYCLOTETRADECANE]CU(II)2, CHLORIDE ION, Lysozyme C, ...
著者Hunter, T.M, McNae, I.W, Liang, X, Bella, J, Parsons, S, Walkinshaw, M.D, Sadler, P.J.
登録日2005-01-12
公開日2005-02-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Protein recognition of macrocycles: binding of anti-HIV metallocyclams to lysozyme
Proc.Natl.Acad.Sci.Usa, 102, 2005
7ME8
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BU of 7me8 by Molmil
The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the beta-site, sodium ion at the metal coordination site and dual beta-Q114 rotamer conformation at 1.60 Angstrom resolution
分子名称: 1,2-ETHANEDIOL, 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J.
登録日2021-04-06
公開日2021-10-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the beta-site, sodium ion at the metal coordination site and dual beta-Q114 rotamer conformation at 1.60 Angstrom resolution.
To be Published
1Y1K
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BU of 1y1k by Molmil
Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 T58A mutant
分子名称: CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ...
著者Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E.
登録日2004-11-18
公開日2005-05-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2
Biochemistry, 44, 2005
1Y38
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BU of 1y38 by Molmil
Crystal structure of the complex formed between phospholipase A2 dimer and glycerophosphate at 2.4 A resolution
分子名称: Phospholipase A2 VRV-PL-VIIIa, SN-GLYCEROL-3-PHOSPHATE, SODIUM ION, ...
著者Singh, N, Jabeen, T, Sharma, S, Singh, T.P.
登録日2004-11-24
公開日2005-05-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Crystal structure of the complex formed between phospholipase A2 dimer and glycerophosphate at 2.4 A resolution
To be Published
1Y3F
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BU of 1y3f by Molmil
Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 F69A mutant
分子名称: CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ...
著者Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E.
登録日2004-11-24
公開日2005-05-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2
Biochemistry, 44, 2005
1Y4D
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BU of 1y4d by Molmil
Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59R/E60S mutant
分子名称: CALCIUM ION, SODIUM ION, chymotrypsin inhibitor 2, ...
著者Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E.
登録日2004-11-30
公開日2005-05-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2
Biochemistry, 44, 2005
7LYI
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Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-3
分子名称: 3C-like proteinase, GLYCEROL, SODIUM ION, ...
著者Sacco, M, Wang, J, Chen, Y.
登録日2021-03-07
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir.
Acs Pharmacol Transl Sci, 4, 2021

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