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8HFH
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BU of 8hfh by Molmil
CENP-E motor domain in complex with AMPPNP and Mg2+
分子名称: Centromere-associated protein E, IMIDAZOLE, MAGNESIUM ION, ...
著者Shibuya, A, Yokoyama, H.
登録日2022-11-10
公開日2023-03-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the motor domain of centromere-associated protein E in complex with a non-hydrolysable ATP analogue.
Febs Lett., 597, 2023
8F4S
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BU of 8f4s by Molmil
Crystal Structure of the SARS-CoV-2 2'-O-Methyltransferase with Compound 5a bound to the Cryptic Pocket of nsp16
分子名称: 2'-O-methyltransferase, 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol, FORMIC ACID, ...
著者Minasov, G, Shuvalova, L, Brunzelle, J.S, Rosas-Lemus, M, Kiryukhina, O, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID)
登録日2022-11-11
公開日2023-10-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of a Druggable, Cryptic Pocket in SARS-CoV-2 nsp16 Using Allosteric Inhibitors.
Acs Infect Dis., 9, 2023
3RNX
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BU of 3rnx by Molmil
Crystal Structure of Lysozyme in 30% ethanol
分子名称: ACETATE ION, CHLORIDE ION, ETHANOL, ...
著者Sharma, P, Solanki, A.K, Ashish
登録日2011-04-24
公開日2011-05-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.856 Å)
主引用文献Crystal Structure of Lysozyme in 30% ethanol
to be published
8EU1
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BU of 8eu1 by Molmil
Ancestral PETase 35_442 Mutant F93L
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Polyethylene terephthalate hydrolase, ...
著者Saunders, J.W, Frkic, R.L, Jackson, C.J.
登録日2022-10-18
公開日2023-11-01
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Ancestral PETase 35_442 Mutant F93L
To Be Published
3QVI
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BU of 3qvi by Molmil
Crystal structure of KNI-10395 bound histo-aspartic protease (HAP) from Plasmodium falciparum
分子名称: (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[S-methyl-N-(phenylacetyl)-L-cysteinyl]amino}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ...
著者Bhaumik, P, Gustchina, A, Wlodawer, A.
登録日2011-02-25
公開日2011-10-12
最終更新日2013-09-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insights into the activation and inhibition of histo-aspartic protease from Plasmodium falciparum.
Biochemistry, 50, 2011
8ETY
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BU of 8ety by Molmil
Ancestral PETase 35_442
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Saunders, J.W, Frkic, R.L, Jackson, C.J.
登録日2022-10-18
公開日2023-11-01
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Ancestral PETase 35_442
To Be Published
1IKQ
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BU of 1ikq by Molmil
Pseudomonas Aeruginosa Exotoxin A, wild type
分子名称: CHLORIDE ION, EXOTOXIN A, SODIUM ION
著者McKay, D.B, Wedekind, J.E, Trame, C.B.
登録日2001-05-04
公開日2001-12-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Refined Crystallographic Structure of Pseudomonas aeruginosa Exotoxin A and its Implications for the Molecular Mechanism of Toxicity
J.Mol.Biol., 314, 2001
8ETK
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BU of 8etk by Molmil
Bile salt hydrolase A from Lactobacillus gasseri bound to covalent probe
分子名称: (5R)-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-(2-{2-[(prop-2-yn-1-yl)oxy]ethoxy}ethoxy)hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-1-fluorohexan-2-one (non-preferred name), Conjugated bile salt hydrolase, SODIUM ION
著者Walker, M.E, Grundy, M.K, Redinbo, M.R.
登録日2022-10-17
公開日2023-11-01
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structural diversity of bile salt hydrolases reveals rationale for substrate selectivity
To Be Published
8ETZ
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BU of 8etz by Molmil
Ancestral PETase 35_442 Mutant E13D
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Saunders, J.W, Frkic, R.L, Jackson, C.J.
登録日2022-10-18
公開日2023-11-01
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Ancestral PETase 35_442 Mutant E13D
To Be Published
8EU0
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BU of 8eu0 by Molmil
Ancestral PETase 35_442 Mutant E27Q
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Polyethylene terephthalate hydrolase, ...
著者Saunders, J.W, Frkic, R.L, Jackson, C.J.
登録日2022-10-18
公開日2023-11-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Ancestral PETase 35_442 Mutant E27Q
To Be Published
3QSR
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BU of 3qsr by Molmil
Crystal structure of Trichomonas vaginalis triosephosphate isomerase TVAG_497370 gene (Ile-45 variant)
分子名称: SODIUM ION, Triosephosphate isomerase
著者Lara-Gonzalez, S, Salgado-Lugo, H, Brieba, L.G.
登録日2011-02-21
公開日2012-07-04
最終更新日2018-03-07
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of Trichomonas vaginalis triosephosphate isomerase TVAG_497370 gene
To be Published
8ETX
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BU of 8etx by Molmil
Ancestral PETase 55_547
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Polyethylene terephthalate hydrolase, ...
著者Saunders, J.W, Frkic, R.L, Jackson, C.J.
登録日2022-10-18
公開日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Ancestral PETase 55_547
To Be Published
8EWT
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BU of 8ewt by Molmil
Bile salt hydrolase A from Lactobacillus gasseri bound to covalent probe
分子名称: (5R)-5-{(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-[(prop-2-yn-1-yl)oxy]hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-1-fluorohexan-2-one (non-preferred name), Conjugated bile salt hydrolase, SODIUM ION
著者Walker, M.E, Redinbo, M.R.
登録日2022-10-24
公開日2023-11-15
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural diversity of bile salt hydrolases reveals rationale for substrate selectivity
To Be Published
8EY3
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BU of 8ey3 by Molmil
Contact-dependent growth inhibition (CDI) immunity protein from E. coli O32:H37
分子名称: Cys_rich_CPCC domain-containing protein, FE (III) ION, SODIUM ION
著者Michalska, K, Stols, L, Eschenfeldt, W, Goulding, C.W, Hayes, C.S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2022-10-26
公開日2023-11-08
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Contact-dependent growth inhibition (CDI) immunity protein from E. coli O32:H37
To Be Published
3QVW
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BU of 3qvw by Molmil
L-myo-inositol 1-phosphate synthase from Archaeoglobus fulgidus mutant K278A
分子名称: GLYCEROL, Myo-inositol-1-phosphate synthase (Ino1), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Neelon, K, Roberts, M.F, Stec, B.
登録日2011-02-26
公開日2012-01-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a trapped catalytic intermediate suggests that forced atomic proximity drives the catalysis of mIPS.
Biophys.J., 101, 2011
3QXW
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BU of 3qxw by Molmil
Free structure of an anti-methotrexate CDR1-4 Graft VHH Antibody
分子名称: Anti-Methotrexate CDR1-4 Graft VHH, SODIUM ION, SULFATE ION
著者Fanning, S.W, Horn, J.R.
登録日2011-03-02
公開日2011-07-27
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献An anti-hapten camelid antibody reveals a cryptic binding site with significant energetic contributions from a nonhypervariable loop.
Protein Sci., 20, 2011
8HAP
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BU of 8hap by Molmil
Crystal structure of thermostable acetaldehyde dehydrogenase from hyperthermophilic archaeon Sulfolobus tokodaii
分子名称: 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, Aldehyde dehydrogenase, SODIUM ION, ...
著者Mine, S, Nakabayashi, M, Ishikawa, K.
登録日2022-10-26
公開日2023-06-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of thermostable acetaldehyde dehydrogenase from the hyperthermophilic archaeon Sulfolobus tokodaii.
Acta Crystallogr.,Sect.F, 79, 2023
8HP6
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BU of 8hp6 by Molmil
Crystal structure of (S)-2-haloacid dehalogenase D12A mutant
分子名称: (S)-2-haloacid dehalogenase, SODIUM ION
著者Yang, Q, Wang, L, Xu, X, Xing, X, Zhou, J.
登録日2022-12-12
公開日2023-06-21
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Enzymatic hydrolysis on L-azetidine-2-carboxylate ring opening
Catalysis Science And Technology, 2023
8EYP
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BU of 8eyp by Molmil
Joint X-ray/neutron structure of Salmonella typhimurium tryptophan synthase internal aldimine from microgravity-grown crystal
分子名称: SODIUM ION, Tryptophan synthase alpha chain, Tryptophan synthase beta chain
著者Drago, V.N, Kovalevsky, A, Blakeley, M.P, Forsyth, V.T, Mueser, T.C.
登録日2022-10-28
公開日2024-02-14
最終更新日2024-05-08
実験手法NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
主引用文献Neutron diffraction from a microgravity-grown crystal reveals the active site hydrogens of the internal aldimine form of tryptophan synthase.
Cell Rep Phys Sci, 5, 2024
8EZC
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BU of 8ezc by Molmil
X-ray crystal structure of salmonella typhimurium Tryptophan synthase internal aldimine
分子名称: SODIUM ION, Tryptophan synthase alpha chain, Tryptophan synthase beta chain
著者Drago, V.N, Mueser, T.C.
登録日2022-10-31
公開日2024-02-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Neutron diffraction from a microgravity-grown crystal reveals the active site hydrogens of the internal aldimine form of tryptophan synthase.
Cell Rep Phys Sci, 5, 2024
3Q4W
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BU of 3q4w by Molmil
The structure of archaeal inorganic pyrophosphatase in complex with substrate
分子名称: BROMIDE ION, CALCIUM ION, PYROPHOSPHATE 2-, ...
著者Hughes, R.C, Meehan, E.J, Coates, L, Ng, J.D.
登録日2010-12-24
公開日2012-01-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.441 Å)
主引用文献Inorganic pyrophosphatase crystals from Thermococcus thioreducens for X-ray and neutron diffraction.
Acta Crystallogr.,Sect.F, 68, 2012
3PK4
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BU of 3pk4 by Molmil
Urate oxidase under 3.2 MPa / 32 bars pressure of xenon
分子名称: 8-AZAXANTHINE, SODIUM ION, Uricase, ...
著者Marassio, G, Colloc'h, N, Prange, T, Abraini, J.H.
登録日2010-11-11
公開日2011-04-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Pressure-response analysis of anesthetic gases xenon and nitrous oxide on urate oxidase: a crystallographic study.
Faseb J., 25, 2011
8H9O
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BU of 8h9o by Molmil
Crystal structure of voltage-gated sodium channel NavAb N49K mutant in sodium ion condition
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHAPSO, DODECYL-BETA-D-MALTOSIDE, ...
著者Irie, K.
登録日2022-10-25
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献The structural basis of divalent cation block in a tetrameric prokaryotic sodium channel.
Nat Commun, 14, 2023
3PKG
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BU of 3pkg by Molmil
Urate oxidase under 2 MPa / 20 bars pressure of xenon
分子名称: 8-AZAXANTHINE, SODIUM ION, Uricase, ...
著者Marassio, G, Colloc'h, N, Prange, T, Abraini, J.H.
登録日2010-11-11
公開日2011-04-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Pressure-response analysis of anesthetic gases xenon and nitrous oxide on urate oxidase: a crystallographic study.
Faseb J., 25, 2011
8H9X
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BU of 8h9x by Molmil
Crystal structure of voltage-gated sodium channel NavAb N49K/L176Q mutant in sodium ion condition
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHAPSO, DODECYL-BETA-D-MALTOSIDE, ...
著者Irie, K, Oda, Y.
登録日2022-10-25
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献The structural basis of divalent cation block in a tetrameric prokaryotic sodium channel.
Nat Commun, 14, 2023

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