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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
Descriptor: Parkinson disease protein 7
Authors: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.
Deposit date:2024-06-28
Release date:2025-03-12
Method:X-RAY DIFFRACTION (1.77 Å)
Cite: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
Descriptor: 1-hydroxypropan-2-one, Protein deglycase DJ-1
Authors: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.
Deposit date:2024-06-27
Release date:2025-03-12
Method:X-RAY DIFFRACTION (1.77 Å)
Cite: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
Descriptor: Parkinson disease protein 7
Authors:Zielinski, K, Dolamore, C, Dalton, K, Meisburger, S, Smith, N, Termini, J, Henning, R, Srajer, V, Hekstra, D, Pollack, L, Wilson, M.A.
Deposit date:2024-06-27
Release date:2025-03-12
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: Parkinson disease protein 7
Authors:Zielinski, K, Dolamore, C, Dalton, K, Meisburger, S, Smith, N, Termini, J, Henning, R, Srajer, V, Hekstra, D, Pollack, L, Wilson, M.A.
Deposit date:2024-07-15
Release date:2025-03-12
Method:X-RAY DIFFRACTION (1.63 Å)
Cite: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
Descriptor: 1-hydroxypropan-2-one, Protein deglycase DJ-1
Authors: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.
Deposit date:2024-06-27
Release date:2025-03-12
Method:X-RAY DIFFRACTION (1.77 Å)
Cite: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
Descriptor: 1-hydroxypropan-2-one, Protein deglycase DJ-1
Authors:Zielinski, K, Dolamore, C, Dalton, K, Meisburger, S, Smith, N, Termini, J, Henning, R, Srajer, V, Hekstra, D, Pollack, L, Wilson, M.A.
Deposit date:2024-06-28
Release date:2025-03-12
Method:X-RAY DIFFRACTION (2.01 Å)
Cite: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
Descriptor: 1-hydroxypropan-2-one, Protein deglycase DJ-1
Authors:Zielinski, K, Dolamore, C, Dalton, K, Meisburger, S, Smith, N, Termini, J, Henning, R, Srajer, V, Hekstra, D, Pollack, L, Wilson, M.A.
Deposit date:2024-06-28
Release date:2025-03-12
Method:X-RAY DIFFRACTION (2.01 Å)
Cite: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
Descriptor: 1-hydroxypropan-2-one, Protein deglycase DJ-1
Authors:Zielinski, K, Dolamore, C, Dalton, K, Meisburger, S, Smith, N, Termini, J, Henning, R, Srajer, V, Hekstra, D, Pollack, L, Wilson, M.A.
Deposit date:2024-06-28
Release date:2025-03-12
Method:X-RAY DIFFRACTION (2.06 Å)
Cite: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
Descriptor: Protein deglycase DJ-1
Authors:Zielinski, K, Dolamore, C, Dalton, K, Meisburger, S, Smith, N, Termini, J, Henning, R, Srajer, V, Hekstra, D, Pollack, L, Wilson, M.A.
Deposit date:2024-07-15
Release date:2025-03-12
Method:X-RAY DIFFRACTION (1.69 Å)
Cite: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
Descriptor: (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, CALCIUM ION, GLYCEROL, ...
Authors: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.
Deposit date:2009-12-02
Release date:2009-12-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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
Descriptor: ACETATE ION, BETA-MANNANASE, GLYCEROL, ...
Authors: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.
Deposit date:2009-05-05
Release date:2009-05-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.78 Å)
Cite: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
Descriptor: ACETATE ION, BETA-MANNANASE, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose
Authors: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.
Deposit date:2009-05-05
Release date:2009-05-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: Chorismate-pyruvate lyase, P-HYDROXYBENZOIC ACID
Authors:Gallagher, D.T, Mayhew, M, Holden, M.J, Vilker, V, Howard, A.
Deposit date:2004-06-22
Release date:2004-12-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, DUF2807 domain-containing protein, GLYCEROL
Authors:Caulton, S.G, Lovering, A.L.
Deposit date:2023-03-28
Release date:2023-10-25
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.17 Å)
Cite: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
Descriptor: Beta-2-microglobulin, ELFSYLIEK peptide, MHC class I antigen, ...
Authors:Karuppiah, V.
Deposit date:2024-02-09
Release date:2024-09-04
Last modified:2025-02-12
Method:X-RAY DIFFRACTION (1.97 Å)
Cite: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
Descriptor: Beta-2-microglobulin, ELFSYLIEK peptide, MHC class I antigen, ...
Authors:Karuppiah, V.
Deposit date:2024-02-09
Release date:2024-09-04
Last modified:2025-02-12
Method:X-RAY DIFFRACTION (2.49 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, Beta-2-microglobulin, ...
Authors:Karuppiah, V.
Deposit date:2024-02-09
Release date:2024-09-04
Last modified:2025-02-12
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: Beta-2-microglobulin, ELFSYLIEK peptide, HLA class I histocompatibility antigen, ...
Authors:Karuppiah, V.
Deposit date:2024-02-09
Release date:2024-09-04
Last modified:2025-02-12
Method:X-RAY DIFFRACTION (2.34 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, ELFSYLIEK peptide, ...
Authors:Karuppiah, V.
Deposit date:2024-02-09
Release date:2024-09-04
Last modified:2025-02-12
Method:X-RAY DIFFRACTION (1.81 Å)
Cite: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
Descriptor: E3 ubiquitin-protein ligase SMURF1
Authors:Ostermann, N.
Deposit date:2024-06-21
Release date:2025-04-16
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (2.75 Å)
Cite: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
Descriptor: E3 ubiquitin-protein ligase SMURF2, PHOSPHATE ION, ethyl 5-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]-2,4-dimethyl-1~{H}-pyrrole-3-carboxylate
Authors:Ostermann, N.
Deposit date:2024-06-21
Release date:2025-04-16
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (2.08 Å)
Cite: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
Descriptor: E3 ubiquitin-protein ligase SMURF1, ethyl 5-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]-2,4-dimethyl-1~{H}-pyrrole-3-carboxylate
Authors:Ostermann, N.
Deposit date:2024-06-21
Release date:2025-04-16
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Retinal dehydrogenase 2
Authors:Stenkamp, R.E, Le Trong, I, Amory, J.K, Paik, J, Goldstein, A.S.
Deposit date:2014-11-26
Release date:2015-12-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.94 Å)
Cite: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)
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, alanine dehydrogenase
Authors:Gallagher, D.T, Smith, N.N, Holden, M.J, Schroeder, I, Monbouquette, H.G.
Deposit date:2003-02-25
Release date:2004-07-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.32 Å)
Cite: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.
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors: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)
Deposit date:2023-04-26
Release date:2023-05-10
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Protein target highlights in CASP15: Analysis of models by structure providers.
Proteins, 91, 2023

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