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6PYW
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BU of 6pyw by Molmil
Crystal Structure of HLA-B*2705-W60A in complex with LRN, a self-peptide
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-27 alpha chain, ...
Authors:Gras, S.
Deposit date:2019-07-31
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Allelic association with ankylosing spondylitis fails to correlate with human leukocyte antigen B27 homodimer formation.
J.Biol.Chem., 294, 2019
7QXV
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BU of 7qxv by Molmil
Crystal Structure of Haem-Binding Protein HemS Mutant F104A F199A, from Yersinia enterocolitica
Descriptor: DI(HYDROXYETHYL)ETHER, Hemin transport protein
Authors:Barker, P.D, Keith, A, Brear, P, Wales, D.
Deposit date:2022-01-27
Release date:2023-02-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Crystal Structure of Haem-Binding Protein HemS Mutant F104A F199A, from Yersinia enterocolitica
To Be Published
7Q98
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BU of 7q98 by Molmil
MHC Class I A02 Allele presenting NLSALGIFST
Descriptor: 1,2-ETHANEDIOL, ASN-LEU-SER-ALA-LEU-GLY-ILE-PHE-SER-THR, Beta-2-microglobulin, ...
Authors:Rizkallah, P.J, Sewell, A.K.
Deposit date:2021-11-12
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Targeting of multiple tumor-associated antigens by individual T cell receptors during successful cancer immunotherapy.
Cell, 186, 2023
6OJW
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BU of 6ojw by Molmil
Crystal structure of Sphingomonas paucimobilis TMY1009 holo-LsdA
Descriptor: FE (III) ION, GLYCEROL, Lignostilbene-alpha,beta-dioxygenase isozyme I, ...
Authors:Kuatsjah, E, Verstraete, M.M, Kobylarz, M.J, Liu, A.K.N, Murphy, M.E.P, Eltis, L.D.
Deposit date:2019-04-12
Release date:2019-07-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification of functionally important residues and structural features in a bacterial lignostilbene dioxygenase.
J.Biol.Chem., 294, 2019
7RAC
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BU of 7rac by Molmil
Crystal structure of a dodecameric multicopper oxidase from M. hydrothermalis in an orthorhombic lattice
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, COPPER (II) ION, ...
Authors:Georgiadis, M.M, Ogata, C.M.
Deposit date:2021-06-30
Release date:2021-10-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Crystal structures of a dodecameric multicopper oxidase from Marinithermus hydrothermalis.
Acta Crystallogr D Struct Biol, 77, 2021
7RAB
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BU of 7rab by Molmil
Crystal structure of a dodecameric multicopper oxidase from M. hydrothermalis in a cubic lattice
Descriptor: COPPER (II) ION, MAGNESIUM ION, multicopper oxidase
Authors:Georgiadis, M.M.
Deposit date:2021-06-30
Release date:2021-10-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structures of a dodecameric multicopper oxidase from Marinithermus hydrothermalis.
Acta Crystallogr D Struct Biol, 77, 2021
7RBW
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BU of 7rbw by Molmil
Structure of Biliverdin-binding Serpin of Boana punctata (polka-dot tree frog)
Descriptor: BILIVERDINE IX ALPHA, Biliverdin bindin serpin
Authors:Fedorov, E, Manoilov, K.Y, Verkhusha, V, Almo, S.C, Ghosh, A.
Deposit date:2021-07-06
Release date:2021-11-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural and Functional Characterization of a Biliverdin-Binding Near-Infrared Fluorescent Protein From the Serpin Superfamily.
J.Mol.Biol., 434, 2021
6OJR
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BU of 6ojr by Molmil
Crystal structure of Sphingomonas paucimobilis TMY1009 apo-LsdA
Descriptor: GLYCEROL, Lignostilbene-alpha,beta-dioxygenase isozyme I, MAGNESIUM ION
Authors:Kuatsjah, E, Verstraete, M.M, Kobylarz, M.J, Liu, A.K.N, Murphy, M.E.P, Eltis, L.D.
Deposit date:2019-04-12
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of functionally important residues and structural features in a bacterial lignostilbene dioxygenase.
J.Biol.Chem., 294, 2019
6OLT
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BU of 6olt by Molmil
Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C12-crypto Acyl Carrier Protein, AcpP
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
Authors:Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P.
Deposit date:2019-04-17
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Gating mechanism of elongating beta-ketoacyl-ACP synthases.
Nat Commun, 11, 2020
6OOX
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BU of 6oox by Molmil
The crystal structure of 4-isopropylbenzoate bound to T252A mutant of CYP199A4
Descriptor: 4-propan-2-ylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Coleman, T, Bruning, J.B, Bell, S.G.
Deposit date:2019-04-23
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.774 Å)
Cite:Structural investigation of the interplay between the substrate and the acid-alcohol pair of residues in cytochrome P450 enzymes
To Be Published
6O56
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BU of 6o56 by Molmil
HNH Nuclease from S. pyogenes Cas9
Descriptor: CRISPR-associated endonuclease Cas9/Csn1
Authors:Newton, J.C, Lisi, G.P, Jogl, G.
Deposit date:2019-03-01
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Allosteric Motions of the CRISPR-Cas9 HNH Nuclease Probed by NMR and Molecular Dynamics.
J.Am.Chem.Soc., 142, 2020
6PYL
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BU of 6pyl by Molmil
Crystal Structure of HLA-B*2703 in complex with KK10, an HIV peptide
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-27:03 alpha chain, ...
Authors:Gras, S.
Deposit date:2019-07-30
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Allelic association with ankylosing spondylitis fails to correlate with human leukocyte antigen B27 homodimer formation.
J.Biol.Chem., 294, 2019
6OKC
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BU of 6okc by Molmil
Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C12-crypto Acyl Carrier Protein, AcpP
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
Authors:Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P.
Deposit date:2019-04-12
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Gating mechanism of elongating beta-ketoacyl-ACP synthases.
Nat Commun, 11, 2020
6OKG
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BU of 6okg by Molmil
Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C16-crypto Acyl Carrier Protein, AcpP
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, N-[2-(hexadecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ...
Authors:Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P.
Deposit date:2019-04-12
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Gating mechanism of elongating beta-ketoacyl-ACP synthases.
Nat Commun, 11, 2020
6OFY
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BU of 6ofy by Molmil
Crystal Structure of Arachidonic Acid bound to V349I murine COX-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACRYLIC ACID, ARACHIDONIC ACID, ...
Authors:Malkowski, M.G.
Deposit date:2019-04-01
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Arg-513 and Leu-531 Are Key Residues Governing Time-Dependent Inhibition of Cyclooxygenase-2 by Aspirin and Celebrex.
Biochemistry, 58, 2019
7RKA
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BU of 7rka by Molmil
Crystal structure analysis of Colorado potato beetle glutathione-S transferase LdGSTu1
Descriptor: GLUTATHIONE, glutathione S-transferase u1
Authors:Moural, T.W, Zhu, F.
Deposit date:2021-07-22
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Functional Characterization of One Unclassified Glutathione S-Transferase in Xenobiotic Adaptation of Leptinotarsa decemlineata.
Int J Mol Sci, 22, 2021
6PYB
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BU of 6pyb by Molmil
Sex Hormone-binding globulin mutant E176K in complex with DVT
Descriptor: 4,4'-[(3R,4R)-oxolane-3,4-diylbis(methylene)]bis(2-methoxyphenol), CALCIUM ION, Sex hormone-binding globulin
Authors:Round, P.W, Das, S, Van Petegem, F.
Deposit date:2019-07-29
Release date:2019-12-25
Last modified:2020-02-12
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular interactions between sex hormone-binding globulin and nonsteroidal ligands that enhance androgen activity.
J.Biol.Chem., 295, 2020
6QFG
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BU of 6qfg by Molmil
Crystal Structure of Human Kallikrein 6 (I218Y) in complex with GSK144
Descriptor: 4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, GLYCEROL, Kallikrein-6
Authors:Thorpe, J.H.
Deposit date:2019-01-10
Release date:2019-05-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome.
Acta Crystallogr.,Sect.F, 75, 2019
6O9B
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BU of 6o9b by Molmil
Crystal structure of HLA-A3*01 in complex with a wild-type beta-catenin peptide
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, ...
Authors:Miller, M.S, Gabelli, S.B.
Deposit date:2019-03-13
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:An engineered antibody fragment targeting mutant beta-catenin via major histocompatibility complex I neoantigen presentation.
J.Biol.Chem., 294, 2019
7RJO
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BU of 7rjo by Molmil
Crystal structure of human Bromodomain containing protein 4 (BRD4) in complex with hnRNPK
Descriptor: ACETATE ION, Bromodomain-containing protein 4, GLYCEROL, ...
Authors:Fedorov, E, Islam, K, Ghosh, A.
Deposit date:2021-07-21
Release date:2022-08-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization
Biorxiv, 2021
6OHE
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BU of 6ohe by Molmil
Alpha-L-fucosidase AlfC D200A in complex with Fuca(1,6)GlcNAc
Descriptor: AlfC, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Klontz, E.H, Sundberg, E.J.
Deposit date:2019-04-05
Release date:2020-04-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Structure and dynamics of an alpha-fucosidase reveal a mechanism for highly efficient IgG transfucosylation.
Nat Commun, 11, 2020
7RJR
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BU of 7rjr by Molmil
Crystal structure of human Bromodomain containing protein 4 (BRD4) in complex with BCLTF1
Descriptor: 1,2-ETHANEDIOL, Bcl-2-associated transcription factor 1, Bromodomain-containing protein 4, ...
Authors:Fedorov, E, Islam, K, Ghosh, A.
Deposit date:2021-07-21
Release date:2022-08-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization
To Be Published
7RJL
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BU of 7rjl by Molmil
Crystal structure of human Bromodomain containing protein 3 (BRD3) in complex with SHMT
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 3, GLYCEROL, ...
Authors:Fedorov, E, Islam, K, Ghosh, A.
Deposit date:2021-07-21
Release date:2022-08-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization
Biorxiv, 2021
6OQ1
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BU of 6oq1 by Molmil
Crystal Structure of Branched K11/K48-Linked Tri-Ubiquitin
Descriptor: Ubiquitin
Authors:Boughton, A.J, Fushman, D.
Deposit date:2019-04-25
Release date:2019-10-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Branching via K11 and K48 Bestows Ubiquitin Chains with a Unique Interdomain Interface and Enhanced Affinity for Proteasomal Subunit Rpn1.
Structure, 28, 2020
7RJK
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BU of 7rjk by Molmil
Crystal structure of human Bromodomain containing protein 3 (BRD3) in complex with hnRNPK
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 3, GLYCEROL, ...
Authors:Fedorov, E, Islam, K, Ghosh, A.
Deposit date:2021-07-21
Release date:2022-08-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization
Biorxiv, 2021

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