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9CG0
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BU of 9cg0 by Molmil
Human DJ-1, 30 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography
分子名称: Parkinson disease protein 7
著者Zielinski, K.A, Dolamore, C, Dalton, K, Meisburger, S.P, Smith, N, Termini, J, Henning, R, Srajer, V, Hekstra, D, Pollack, L, Wilson, M.A.
登録日2024-06-28
公開日2025-03-12
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Resolving DJ-1 Glyoxalase Catalysis Using Mix-and-Inject Serial Crystallography at a Synchrotron.
Biorxiv, 2024
9CFZ
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BU of 9cfz by Molmil
Human DJ-1, 20 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography
分子名称: 1-hydroxypropan-2-one, Protein deglycase DJ-1
著者Zielinski, K.A, Dolamore, C, Dalton, K, Meisburger, S.P, Smith, N, Termini, J, Henning, R, Srajer, V, Hekstra, D, Pollack, L, Wilson, M.A.
登録日2024-06-27
公開日2025-03-12
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Resolving DJ-1 Glyoxalase Catalysis Using Mix-and-Inject Serial Crystallography at a Synchrotron.
Biorxiv, 2024
9CFQ
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BU of 9cfq by Molmil
Human DJ-1, no mixing, pink beam time-resolved serial crystallography, CrystFEL processed
分子名称: Parkinson disease protein 7
著者Zielinski, K, Dolamore, C, Dalton, K, Meisburger, S, Smith, N, Termini, J, Henning, R, Srajer, V, Hekstra, D, Pollack, L, Wilson, M.A.
登録日2024-06-27
公開日2025-03-12
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Resolving DJ-1 Glyoxalase Catalysis Using Mix-and-Inject Serial Crystallography at a Synchrotron.
Biorxiv, 2024
9CMX
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BU of 9cmx by Molmil
Human DJ-1, fixed target serial crystallography
分子名称: Parkinson disease protein 7
著者Zielinski, K, Dolamore, C, Dalton, K, Meisburger, S, Smith, N, Termini, J, Henning, R, Srajer, V, Hekstra, D, Pollack, L, Wilson, M.A.
登録日2024-07-15
公開日2025-03-12
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Resolving DJ-1 Glyoxalase Catalysis Using Mix-and-Inject Serial Crystallography at a Synchrotron.
Biorxiv, 2024
9CFM
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BU of 9cfm by Molmil
Human DJ-1, 5 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography
分子名称: 1-hydroxypropan-2-one, Protein deglycase DJ-1
著者Zielinski, K.A, Dolamore, C, Dalton, K, Meisburger, S.P, Smith, N, Termini, J, Henning, R, Srajer, V, Hekstra, D, Pollack, L, Wilson, M.A.
登録日2024-06-27
公開日2025-03-12
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Resolving DJ-1 Glyoxalase Catalysis Using Mix-and-Inject Serial Crystallography at a Synchrotron.
Biorxiv, 2024
9CGB
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BU of 9cgb by Molmil
Human DJ-1, 5 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography, CrystFEL processed
分子名称: 1-hydroxypropan-2-one, Protein deglycase DJ-1
著者Zielinski, K, Dolamore, C, Dalton, K, Meisburger, S, Smith, N, Termini, J, Henning, R, Srajer, V, Hekstra, D, Pollack, L, Wilson, M.A.
登録日2024-06-28
公開日2025-03-12
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Resolving DJ-1 Glyoxalase Catalysis Using Mix-and-Inject Serial Crystallography at a Synchrotron.
Biorxiv, 2024
9CGA
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BU of 9cga by Molmil
Human DJ-1, 3 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography, CrystFEL processed
分子名称: 1-hydroxypropan-2-one, Protein deglycase DJ-1
著者Zielinski, K, Dolamore, C, Dalton, K, Meisburger, S, Smith, N, Termini, J, Henning, R, Srajer, V, Hekstra, D, Pollack, L, Wilson, M.A.
登録日2024-06-28
公開日2025-03-12
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Resolving DJ-1 Glyoxalase Catalysis Using Mix-and-Inject Serial Crystallography at a Synchrotron.
Biorxiv, 2024
9CGF
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BU of 9cgf by Molmil
Human DJ-1, 20 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography, CrystFEL processed
分子名称: 1-hydroxypropan-2-one, Protein deglycase DJ-1
著者Zielinski, K, Dolamore, C, Dalton, K, Meisburger, S, Smith, N, Termini, J, Henning, R, Srajer, V, Hekstra, D, Pollack, L, Wilson, M.A.
登録日2024-06-28
公開日2025-03-12
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Resolving DJ-1 Glyoxalase Catalysis Using Mix-and-Inject Serial Crystallography at a Synchrotron.
Biorxiv, 2024
9CMY
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BU of 9cmy by Molmil
Human DJ-1, 6.5-18.5 min mixing with methylglyoxal, fixed target serial crystallography
分子名称: Protein deglycase DJ-1
著者Zielinski, K, Dolamore, C, Dalton, K, Meisburger, S, Smith, N, Termini, J, Henning, R, Srajer, V, Hekstra, D, Pollack, L, Wilson, M.A.
登録日2024-07-15
公開日2025-03-12
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Resolving DJ-1 Glyoxalase Catalysis Using Mix-and-Inject Serial Crystallography at a Synchrotron.
Biorxiv, 2024
2WZS
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BU of 2wzs by Molmil
Structure of the Family GH92 Inverting Mannosidase BT3990 from Bacteroides thetaiotaomicron VPI-5482 in complex with Mannoimidazole
分子名称: (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, CALCIUM ION, GLYCEROL, ...
著者Zhu, Y, Suits, M.D.L, Thompson, A, Chavan, S, Dinev, Z, Dumon, C, Smith, N, Moremen, K.W, Xiang, Y, Siriwardena, A, Williams, S.J, Gilbert, H.J, Davies, G.J.
登録日2009-12-02
公開日2009-12-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
2WHJ
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BU of 2whj by Molmil
Understanding how diverse mannanases recognise heterogeneous substrates
分子名称: ACETATE ION, BETA-MANNANASE, GLYCEROL, ...
著者Tailford, L.E, Ducros, V.M.A, Flint, J.E, Roberts, S.M, Morland, C, Zechel, D.L, Smith, N, Bjornvad, M.E, Borchert, T.V, Wilson, K.S, Davies, G.J, Gilbert, H.J.
登録日2009-05-05
公開日2009-05-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Understanding How Diverse -Mannanases Recognise Heterogeneous Substrates.
Biochemistry, 48, 2009
2WHL
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BU of 2whl by Molmil
Understanding how diverse mannanases recognise heterogeneous substrates
分子名称: ACETATE ION, BETA-MANNANASE, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose
著者Tailford, L.E, Ducros, V.M.A, Flint, J.E, Roberts, S.M, Morland, C, Zechel, D.L, Smith, N, Bjornvad, M.E, Borchert, T.V, Wilson, K.S, Davies, G.J, Gilbert, H.J.
登録日2009-05-05
公開日2009-05-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Understanding How Diverse -Mannanases Recognise Heterogeneous Substrates.
Biochemistry, 48, 2009
1TT8
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BU of 1tt8 by Molmil
CHORISMATE LYASE WITH PRODUCT, 1.0 A RESOLUTION
分子名称: Chorismate-pyruvate lyase, P-HYDROXYBENZOIC ACID
著者Gallagher, D.T, Mayhew, M, Holden, M.J, Vilker, V, Howard, A.
登録日2004-06-22
公開日2004-12-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Structural analysis of ligand binding and catalysis in chorismate lyase.
Arch.Biochem.Biophys., 445, 2006
8OKH
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BU of 8okh by Molmil
Crystal structure of Bdellovibrio bacteriovorus Bd1399
分子名称: 1,2-ETHANEDIOL, DUF2807 domain-containing protein, GLYCEROL
著者Caulton, S.G, Lovering, A.L.
登録日2023-03-28
公開日2023-10-25
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Protein target highlights in CASP15: Analysis of models by structure providers.
Proteins, 91, 2023
8RYN
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BU of 8ryn by Molmil
Structure of S2 TCR in complex with HLA-A*11:01 bound to ELFSYLIEK peptide
分子名称: Beta-2-microglobulin, ELFSYLIEK peptide, MHC class I antigen, ...
著者Karuppiah, V.
登録日2024-02-09
公開日2024-09-04
最終更新日2025-02-12
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Broadening alloselectivity of T cell receptors by structure guided engineering.
Sci Rep, 14, 2024
8RYQ
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BU of 8ryq by Molmil
Structure of S8-9F3 TCR in complex with HLA-A*11:01 bound to ELFSYLIEK peptide
分子名称: Beta-2-microglobulin, ELFSYLIEK peptide, MHC class I antigen, ...
著者Karuppiah, V.
登録日2024-02-09
公開日2024-09-04
最終更新日2025-02-12
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Broadening alloselectivity of T cell receptors by structure guided engineering.
Sci Rep, 14, 2024
8RYO
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BU of 8ryo by Molmil
Structure of S2-198 TCR in complex with HLA-A*03:01 bound to ELFSYLIEK peptide
分子名称: 1,2-ETHANEDIOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, Beta-2-microglobulin, ...
著者Karuppiah, V.
登録日2024-02-09
公開日2024-09-04
最終更新日2025-02-12
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Broadening alloselectivity of T cell receptors by structure guided engineering.
Sci Rep, 14, 2024
8RYM
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BU of 8rym by Molmil
Structure of S2 TCR in complex with HLA-A*03:01 bound to ELFSYLIEK peptide
分子名称: Beta-2-microglobulin, ELFSYLIEK peptide, HLA class I histocompatibility antigen, ...
著者Karuppiah, V.
登録日2024-02-09
公開日2024-09-04
最終更新日2025-02-12
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Broadening alloselectivity of T cell receptors by structure guided engineering.
Sci Rep, 14, 2024
8RYP
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BU of 8ryp by Molmil
Structure of S8 TCR in complex with HLA-A*03:01 bound to ELFSYLIEK peptide
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, ELFSYLIEK peptide, ...
著者Karuppiah, V.
登録日2024-02-09
公開日2024-09-04
最終更新日2025-02-12
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Broadening alloselectivity of T cell receptors by structure guided engineering.
Sci Rep, 14, 2024
9FSK
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BU of 9fsk by Molmil
Crystal structure of the HECT domain of Smurf1
分子名称: E3 ubiquitin-protein ligase SMURF1
著者Ostermann, N.
登録日2024-06-21
公開日2025-04-16
最終更新日2025-05-28
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Therapeutic potential of allosteric HECT E3 ligase inhibition.
Cell, 188, 2025
9FSH
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BU of 9fsh by Molmil
Crystal structure of the HECT domain of Smurf 2 in complex with inhibitor 8
分子名称: E3 ubiquitin-protein ligase SMURF2, PHOSPHATE ION, ethyl 5-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]-2,4-dimethyl-1~{H}-pyrrole-3-carboxylate
著者Ostermann, N.
登録日2024-06-21
公開日2025-04-16
最終更新日2025-05-28
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Therapeutic potential of allosteric HECT E3 ligase inhibition.
Cell, 188, 2025
9FSJ
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BU of 9fsj by Molmil
Crystal structure of the HECT domain of Smurf 1 in complex with inhibitor 8
分子名称: E3 ubiquitin-protein ligase SMURF1, ethyl 5-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]-2,4-dimethyl-1~{H}-pyrrole-3-carboxylate
著者Ostermann, N.
登録日2024-06-21
公開日2025-04-16
最終更新日2025-05-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Therapeutic potential of allosteric HECT E3 ligase inhibition.
Cell, 188, 2025
4X2Q
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BU of 4x2q by Molmil
Crystal Structure of Human Aldehyde Dehydrogenase, ALDH1a2
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Retinal dehydrogenase 2
著者Stenkamp, R.E, Le Trong, I, Amory, J.K, Paik, J, Goldstein, A.S.
登録日2014-11-26
公開日2015-12-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Synthesis and In Vitro Testing of Bisdichloroacetyldiamine Analogs for Use as a Reversible Male Contraceptive
To Be Published
1OMO
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BU of 1omo by Molmil
alanine dehydrogenase dimer w/bound NAD (archaeal)
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, alanine dehydrogenase
著者Gallagher, D.T, Smith, N.N, Holden, M.J, Schroeder, I, Monbouquette, H.G.
登録日2003-02-25
公開日2004-07-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structure of alanine dehydrogenase from Archaeoglobus: active site analysis and relation to bacterial cyclodeaminases and mammalian mu crystallin.
J.Mol.Biol., 342, 2004
8SMQ
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BU of 8smq by Molmil
Crystal Structure of the N-terminal Domain of the Cryptic Surface Protein (CD630_25440) from Clostridium difficile.
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Minasov, G, Shuvalova, L, Brunzelle, J.S, Kiryukhina, O, Wawrzak, Z, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2023-04-26
公開日2023-05-10
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Protein target highlights in CASP15: Analysis of models by structure providers.
Proteins, 91, 2023

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件を2025-07-09に公開中

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