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2HM2
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Solution structure of ASC2
Descriptor: Pyrin-only protein 1
Authors:Natarajan, A, Ghose, R, Hill, J.M.
Deposit date:2006-07-11
Release date:2006-07-25
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Structure and dynamics of ASC2, a pyrin domain-only protein that regulates inflammatory signaling
J.Biol.Chem., 281, 2006
2LJ6
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BU of 2lj6 by Molmil
Solution Structure and DNA-binding Properties of the Phosphoesterase Domain of DNA Ligase D
Descriptor: Probable ATP-dependent DNA ligase
Authors:Dutta, K, Natarajan, A, Shuman, S, Ghose, R.
Deposit date:2011-09-06
Release date:2011-11-16
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure and DNA-binding properties of the phosphoesterase domain of DNA ligase D.
Nucleic Acids Res., 40, 2012
4GPL
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BU of 4gpl by Molmil
Structure of Cbl(TKB) bound to a phosphorylated pentapeptide
Descriptor: ACE-PTR-THR-PRO-GLU-PRO, PEPTIDE INHIBITOR, E3 ubiquitin-protein ligase CBL
Authors:Borgstahl, G, Natarajan, A.
Deposit date:2012-08-21
Release date:2013-09-18
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:The paradox of conformational constraint in the design of Cbl(TKB)-binding peptides.
Sci Rep, 3, 2013
7RZD
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BU of 7rzd by Molmil
CRYSTAL STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PEPTIDE
Descriptor: Beta-2-microglobulin, CHLORIDE ION, GLYCEROL, ...
Authors:Patskovsky, Y, Patskovska, L, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M.
Deposit date:2021-08-27
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
7RZJ
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BU of 7rzj by Molmil
CRYSTAL STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PHOSPHOPEPTIDE
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ...
Authors:Patskovsky, Y, Patskovska, L, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M.
Deposit date:2021-08-27
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
7S7F
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STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH DOT1L(998-1006) PHOSPHOPEPTIDE
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ...
Authors:Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M.
Deposit date:2021-09-15
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
7S8J
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BU of 7s8j by Molmil
PHOSPHOPEPTIDE-SPECIFIC LC13 TCR, ORTHORHOMBIC CRYSTAL FORM
Descriptor: CHLORIDE ION, TRAV27_LC13 TCR ALPHA CHAIN, TRBV27_LC13 TCR BETA CHAIN
Authors:Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M.
Deposit date:2021-09-17
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
7S8A
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BU of 7s8a by Molmil
STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PHOSPHOPEPTIDE, CUBIC CRYSTAL FORM
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ACETATE ION, Beta-2-microglobulin, ...
Authors:Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M.
Deposit date:2021-09-17
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
7S7E
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BU of 7s7e by Molmil
STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH DOT1L(998-1006) PEPTIDE
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ...
Authors:Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M.
Deposit date:2021-09-15
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
7S7D
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BU of 7s7d by Molmil
STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH SYNTHETIC SULFO-MLL PEPTIDE ANALOG
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M.
Deposit date:2021-09-15
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
7S79
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BU of 7s79 by Molmil
STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH SYNTHETIC PHOSPHONO-MLL PEPTIDE ANALOG
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M.
Deposit date:2021-09-15
Release date:2022-11-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
7S8E
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BU of 7s8e by Molmil
STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PHOSPHOPEPTIDE AND BOUND GLYCEROL
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Patskovsky, Y, Nyovanie, S, Patskovska, L, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M.
Deposit date:2021-09-17
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
7S8F
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BU of 7s8f by Molmil
STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PEPTIDE AND BOUND GLYCEROL
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Patskovsky, Y, Nyovanie, S, Patskovska, L, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M.
Deposit date:2021-09-17
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
7S8I
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BU of 7s8i by Molmil
PHOSPHOPEPTIDE-SPECIFIC LC13 TCR, MONOCLINIC CRYSTAL FORM
Descriptor: CHLORIDE ION, TRAV27_LC13 TCR ALPHA CHAIN, TRBV27_LC13 TCR BETA CHAIN
Authors:Patskovsky, Y, Nyovanie, S, Patskovska, L, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M.
Deposit date:2021-09-17
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
8GI7
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BU of 8gi7 by Molmil
C143A variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, citrate synthase (unknown stereospecificity)
Authors:Pathirage, R, Ronning, D.
Deposit date:2023-03-13
Release date:2023-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
6CDX
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BU of 6cdx by Molmil
High-resolution crystal structure of fluoropropylated cystine knot, binding to alpha-5 beta-6 integrin
Descriptor: cystine knot (fluoropropylated)
Authors:Kimura, R, Nix, J, Bongura, C, Chakraborti, S, Gambhir, S, Filipp, F.V.
Deposit date:2018-02-09
Release date:2019-08-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1 Å)
Cite:Evaluation of integrin alpha v beta6cystine knot PET tracers to detect cancer and idiopathic pulmonary fibrosis.
Nat Commun, 10, 2019
8GM9
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BU of 8gm9 by Molmil
Structure of Citrate Synthase(CitA) in Mycobacterium Tuberculosis
Descriptor: 1,2-ETHANEDIOL, ACRYLIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Pathirage, R, Ronning, D, Favrot, L.
Deposit date:2023-03-24
Release date:2023-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8GMI
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BU of 8gmi by Molmil
Citrate Synthase (CitA) in Mycobacterium tuberculosis modified by Ebselen at C143 residue
Descriptor: CITRATE ANION, N-phenyl-2-selanylbenzamide, citrate synthase
Authors:Pathirage, R, Ronning, D.
Deposit date:2023-03-25
Release date:2023-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8GLL
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BU of 8gll by Molmil
R149E variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
Authors:Pathirage, R, Ronning, D, Petit, C.
Deposit date:2023-03-22
Release date:2023-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8GMF
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BU of 8gmf by Molmil
R153M variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis
Descriptor: citrate synthase
Authors:Pathirage, R, Ronning, D.
Deposit date:2023-03-25
Release date:2023-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8GIW
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BU of 8giw by Molmil
C143K variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
Authors:Pathirage, R, Ronning, D.
Deposit date:2023-03-14
Release date:2023-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8GLB
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BU of 8glb by Molmil
Selenomethionine Derivatized Citrate Synthase (CitA) in Mycobacterium tuberculosis with Pyruvate
Descriptor: 1,2-ETHANEDIOL, PYRUVIC ACID, citrate synthase
Authors:Pathirage, R, Ronning, D, Favrot, L.
Deposit date:2023-03-21
Release date:2023-06-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8GMK
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BU of 8gmk by Molmil
Pyruvate bound structure of Citrate Synthase (CitA) in Mycobacterium Tuberculosis
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PYRUVIC ACID, ...
Authors:Pathirage, R, Ronning, D, Yamsek, M.
Deposit date:2023-03-26
Release date:2023-06-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
6C17
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BU of 6c17 by Molmil
Crystal Structure of Ketosteroid Isomerase D40N mutant from Pseudomonas Putida (pKSI) bound to 3,4-dinitrophenol
Descriptor: 3,4-dinitrophenol, MAGNESIUM ION, Steroid Delta-isomerase
Authors:Yabukarski, F, Pinney, M, Herschlag, D.
Deposit date:2018-01-04
Release date:2018-07-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural Coupling Throughout the Active Site Hydrogen Bond Networks of Ketosteroid Isomerase and Photoactive Yellow Protein.
J. Am. Chem. Soc., 140, 2018
6C1X
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BU of 6c1x by Molmil
Crystal Structure of Ketosteroid Isomerase D40N/D103N mutant from Pseudomonas Putida (pKSI) bound to 3,4-dinitrophenol
Descriptor: 3,4-dinitrophenol, MAGNESIUM ION, Steroid Delta-isomerase
Authors:Yabukarski, F, Pinney, M.M, Herschlag, D.
Deposit date:2018-01-05
Release date:2018-07-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Structural Coupling Throughout the Active Site Hydrogen Bond Networks of Ketosteroid Isomerase and Photoactive Yellow Protein.
J. Am. Chem. Soc., 140, 2018

 

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