7T37
 
 | | Activated state of 2-APB and CBD-bound wildtype rat TRPV2 in nanodiscs | | Descriptor: | 2-aminoethyl diphenylborinate, Transient receptor potential cation channel subfamily V member 2, cannabidiol | | Authors: | Pumroy, R.A, Protopopova, A.D, Gallo, P.N, Moiseenkova-Bell, V.Y. | | Deposit date: | 2021-12-07 | | Release date: | 2022-05-04 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural insights into TRPV2 activation by small molecules.
Nat Commun, 13, 2022
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5M2H
 | | Crystal structure of vancomycin-Zn(II)-citrate complex | | Descriptor: | CITRIC ACID, HEXAETHYLENE GLYCOL, Vancomycin, ... | | Authors: | Zarkan, A, Macklyne, H.-R, Chirgadze, D.Y, Bond, A.D, Hesketh, A.R, Hong, H.-J. | | Deposit date: | 2016-10-13 | | Release date: | 2017-07-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Zn(II) mediates vancomycin polymerization and potentiates its antibiotic activity against resistant bacteria.
Sci Rep, 7, 2017
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5M2K
 | | Crystal structure of vancomycin-Zn(II) complex | | Descriptor: | 1,2-ETHANEDIOL, ZINC ION, vancomycin, ... | | Authors: | Zarkan, A, Macklyne, H.-R, Chirgadze, D.Y, Bond, A.D, Hesketh, A.R, Hong, H.-J. | | Deposit date: | 2016-10-13 | | Release date: | 2017-07-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Zn(II) mediates vancomycin polymerization and potentiates its antibiotic activity against resistant bacteria.
Sci Rep, 7, 2017
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5M3Z
 | | Crystal structure of Citrobacter freundii methionine gamma-lyase with C115H replacement in the complex with L-norleucine | | Descriptor: | 2-[O-PHOSPHONOPYRIDOXYL]-AMINO-HEXANOIC ACID, Methionine gamma-lyase, NORLEUCINE, ... | | Authors: | Revtovich, S.V, Nikulin, A.D, Anufrieva, N.V, Morozova, E.A, Demidkina, T.V. | | Deposit date: | 2016-10-17 | | Release date: | 2017-06-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal structure of mutant form Cys115His of Citrobacter freundii methionine gamma-lyase complexed with l-norleucine.
Biochim. Biophys. Acta, 1865, 2017
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3TBY
 | | CRYSTAL STRUCTURE OF THE MURINE CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX H-2DB IN COMPLEX WITH THE LCMV-DERIVED GP33 ALTERED PEPTIDE ligand (V3P, Y4F) | | Descriptor: | Beta-2-microglobulin, GLYCOPROTEIN GPC, H-2 class I histocompatibility antigen, ... | | Authors: | Duru, A.D, Allerbring, E.B, Uchtenhagen, H, Mazumdar, P.A, Badia-Martinez, D, Madhurantakam, C, Sandalova, T, Nygren, P, Achour, A. | | Deposit date: | 2011-08-08 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Conversion of a T cell viral antagonist into an agonist through higher stabilization and conserved molecular mimicry: Implications for TCR recognition
To be Published
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3TBV
 | | CRYSTAL STRUCTURE OF THE MURINE CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX H-2DB IN COMPLEX WITH THE LCMV-DERIVED GP33 ALTERED PEPTIDE ligand (A2G,V3P,Y4A) | | Descriptor: | Beta-2-microglobulin, GLYCEROL, Glycoprotein G1, ... | | Authors: | Duru, A.D, Allerbring, E.B, Uchtenhagen, H, Mazumdar, P.A, Badia-Martinez, D, Madhurantakam, C, Sandalova, T, Nygren, P, Achour, A. | | Deposit date: | 2011-08-08 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Conversion of a T cell viral antagonist into an agonist through higher stabilization and conserved molecular mimicry: Implications for TCR recognition
To be Published
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3S7J
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3S7D
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3S7B
 | | Structural Basis of Substrate Methylation and Inhibition of SMYD2 | | Descriptor: | (R,R)-2,3-BUTANEDIOL, N-cyclohexyl-N~3~-[2-(3,4-dichlorophenyl)ethyl]-N-(2-{[2-(5-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide, N-lysine methyltransferase SMYD2, ... | | Authors: | Ferguson, A.D. | | Deposit date: | 2011-05-26 | | Release date: | 2011-08-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Structural Basis of Substrate Methylation and Inhibition of SMYD2.
Structure, 19, 2011
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3UXL
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3UXE
 | | Design, Synthesis and Biological Evaluation of Potent Quinoline and Pyrroloquinoline Ammosamide Analogues as Inhibitors for Quinone Reductase 2 | | Descriptor: | 8-amino-7-chloro-1-methyl-6-(methylideneamino)-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Reddy, N.P, Jensen, K.C, Mesecar, A.D, Fanwick, P.E, Cushman, M. | | Deposit date: | 2011-12-05 | | Release date: | 2012-01-18 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Design, synthesis, and biological evaluation of potent quinoline and pyrroloquinoline ammosamide analogues as inhibitors of quinone reductase 2.
J.Med.Chem., 55, 2012
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3TBT
 | | CRYSTAL STRUCTURE OF THE MURINE CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX H-2DB IN COMPLEX WITH THE LCMV-DERIVED GP33 ALTERED PEPTIDE ligand (V3P, Y4S) | | Descriptor: | Beta-2-microglobulin, GLYCOPROTEIN G1, H-2 class I histocompatibility antigen, ... | | Authors: | Duru, A.D, Allerbring, E.B, Uchtenhagen, H, Mazumdar, P.A, Badia-Martinez, D, Madhurantakam, C, Sandalova, T, Nygren, P, Achour, A. | | Deposit date: | 2011-08-08 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Conversion of a T cell viral antagonist into an agonist through higher stabilization and conserved molecular mimicry: Implications for TCR recognition
To be Published
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3TBS
 | | CRYSTAL STRUCTURE OF THE MURINE CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX H-2DB IN COMPLEX THE WITH LCMV-DERIVED GP33 ALTERED PEPTIDE ligand (V3P,Y4A) | | Descriptor: | Beta-2-microglobulin, GLYCEROL, GLYCOPROTEIN G1, ... | | Authors: | Duru, A.D, Allerbring, E.B, Uchtenhagen, H, Mazumdar, P.A, Badia-Martinez, D, Madhurantakam, C, Sandalova, T, Nygren, P, Achour, A. | | Deposit date: | 2011-08-08 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Conversion of a T cell viral antagonist into an agonist through higher stabilization and conserved molecular mimicry: Implications for TCR recognition
To be Published
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3VGA
 | | Crystal structure of human adenosine A2A receptor with an allosteric inverse-agonist antibody at 3.1 A resolution | | Descriptor: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a, antibody fab fragment heavy chain, ... | | Authors: | Hino, T, Arakawa, T, Iwanari, H, Yurugi-Kobayashi, T, Ikeda-Suno, C, Nakada-Nakura, Y, Kusano-Arai, O, Weyand, S, Shimamura, T, Nomura, N, Cameron, A.D, Kobayashi, T, Hamakubo, T, Iwata, S, Murata, T. | | Deposit date: | 2011-08-04 | | Release date: | 2012-02-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | G-protein-coupled receptor inactivation by an allosteric inverse-agonist antibody
Nature, 482, 2012
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3UXK
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3TBW
 | | CRYSTAL STRUCTURE OF THE MURINE CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX H-2DB IN COMPLEX WITH THE LCMV-DERIVED GP33 ALTERED PEPTIDE ligand (A2G, V3P, Y4S) | | Descriptor: | Beta-2-microglobulin, GLYCOPROTEIN GPC, H-2 class I histocompatibility antigen, ... | | Authors: | Duru, A.D, Allerbring, E.B, Uchtenhagen, H, Mazumdar, P.A, Badia-Martinez, D, Madhurantakam, C, Sandalova, T, Nygren, P, Achour, A. | | Deposit date: | 2011-08-08 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Conversion of a T cell viral antagonist into an agonist through higher stabilization and conserved molecular mimicry: Implications for TCR recognition
To be Published
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3VAP
 | | Synthesis and SAR Studies of imidazo-[1,2-a]-pyrazine Aurora kinase inhibitors with improved off target kinase selectivity | | Descriptor: | 3-(1-{2-[(3-fluoropyridinium-4-yl)amino]-2-oxoethyl}-1H-pyrazol-4-yl)-6-methyl-8-[(3-{[(1R,3R)-3-methylpiperidinium-1-yl]methyl}-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-1-ium, Aurora kinase A | | Authors: | Voss, M.E, Rainka, M.P, Fleming, M, Peterson, L.H, Belanger, D.B, Siddiqui, M.A, Hruza, A, Voigt, J, Basso, A.D, Gray, K. | | Deposit date: | 2011-12-29 | | Release date: | 2012-05-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Synthesis and SAR studies of imidazo-[1,2-a]-pyrazine Aurora kinase inhibitors with improved off-target kinase selectivity.
Bioorg.Med.Chem.Lett., 22, 2012
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3UXH
 | | Design, Synthesis and Biological Evaluation of Potetent Quinoline and Pyrroloquinoline Ammosamide Analogues as Inhibitors of Quinone Reductase 2 | | Descriptor: | 6,8-diamino-7-chloro-1-methyl-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | | Authors: | Cushman, M, Mesecar, A.D, Fanwick, P.E, Narasimha, R, Jensen, K.C. | | Deposit date: | 2011-12-05 | | Release date: | 2012-01-18 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Design, synthesis, and biological evaluation of potent quinoline and pyrroloquinoline ammosamide analogues as inhibitors of quinone reductase 2.
J.Med.Chem., 55, 2012
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3TW6
 | | Structure of Rhizobium etli pyruvate carboxylase T882A with the allosteric activator, acetyl coenzyme-A | | Descriptor: | 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | Authors: | St Maurice, M, Kumar, S, Lietzan, A.D. | | Deposit date: | 2011-09-21 | | Release date: | 2011-10-19 | | Last modified: | 2011-12-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Interaction between the biotin carboxyl carrier domain and the biotin carboxylase domain in pyruvate carboxylase from Rhizobium etli.
Biochemistry, 50, 2011
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3TW7
 | | Structure of Rhizobium etli pyruvate carboxylase T882A crystallized without acetyl coenzyme-A | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Pyruvate carboxylase protein, ... | | Authors: | St Maurice, M, Kumar, S, Lietzan, A.D. | | Deposit date: | 2011-09-21 | | Release date: | 2011-10-12 | | Last modified: | 2011-12-28 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Interaction between the biotin carboxyl carrier domain and the biotin carboxylase domain in pyruvate carboxylase from Rhizobium etli.
Biochemistry, 50, 2011
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3VG9
 | | Crystal structure of human adenosine A2A receptor with an allosteric inverse-agonist antibody at 2.7 A resolution | | Descriptor: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Hino, T, Arakawa, T, Iwanari, H, Yurugi-Kobayashi, T, Ikeda-Suno, C, Nakada-Nakura, Y, Kusano-Arai, O, Weyand, S, Shimamura, T, Nomura, N, Cameron, A.D, Kobayashi, T, Hamakubo, T, Iwata, S, Murata, T. | | Deposit date: | 2011-08-04 | | Release date: | 2012-02-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | G-protein-coupled receptor inactivation by an allosteric inverse-agonist antibody
Nature, 482, 2012
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3X3B
 | | Crystal structure of the light-driven sodium pump KR2 in acidic state | | Descriptor: | DI(HYDROXYETHYL)ETHER, OLEIC ACID, RETINAL, ... | | Authors: | Kato, H.E, Inoue, K, Abe-Yoshizumi, R, Kato, Y, Ono, H, Konno, M, Ishizuka, T, Hoque, M.R, Hososhima, S, Kunitomo, H, Ito, J, Yoshizawa, S, Yamashita, K, Takemoto, M, Nishizawa, T, Taniguchi, R, Kogure, K, Maturana, A.D, Iino, Y, Yawo, H, Ishitani, R, Kandori, H, Nureki, O. | | Deposit date: | 2015-01-18 | | Release date: | 2015-04-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for Na(+) transport mechanism by a light-driven Na(+) pump
Nature, 521, 2015
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3X3C
 | | Crystal structure of the light-driven sodium pump KR2 in neutral state | | Descriptor: | OLEIC ACID, RETINAL, Sodium pumping rhodopsin | | Authors: | Kato, H.E, Inoue, K, Abe-Yoshizumi, R, Kato, Y, Ono, H, Konno, M, Ishizuka, T, Hoque, M.R, Hososhima, S, Kunitomo, H, Ito, J, Yoshizawa, S, Yamashita, K, Takemoto, M, Nishizawa, T, Taniguchi, R, Kogure, K, Maturana, A.D, Iino, Y, Yawo, H, Ishitani, R, Kandori, H, Nureki, O. | | Deposit date: | 2015-01-18 | | Release date: | 2015-04-08 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for Na(+) transport mechanism by a light-driven Na(+) pump
Nature, 521, 2015
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1A5Y
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7JTJ
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