1RZ9
 
 | | Crystal Structure of AAV Rep complexed with the Rep-binding sequence | | Descriptor: | 26-MER, Rep protein | | Authors: | Hickman, A.B, Ronning, D.R, Perez, Z.N, Kotin, R.M, Dyda, F. | | Deposit date: | 2003-12-24 | | Release date: | 2004-02-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The nuclease domain of adeno-associated virus rep coordinates replication initiation using two distinct DNA recognition interfaces.
Mol.Cell, 13, 2004
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1NKT
 | | CRYSTAL STRUCTURE OF THE SECA PROTEIN TRANSLOCATION ATPASE FROM MYCOBACTERIUM TUBERCULOSIS COMPLEX WITH ADPBS | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Preprotein translocase secA 1 subunit | | Authors: | Sharma, V, Arockiasamy, A, Ronning, D.R, Savva, C.G, Holzenburg, A, Braunstein, M, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2003-01-03 | | Release date: | 2003-03-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Crystal Structure of M. tuberculosis SecA, A Preprotein Translocating ATPase
Proc.Natl.Acad.Sci.USA, 100, 2003
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1NL3
 | | CRYSTAL STRUCTURE OF THE SECA PROTEIN TRANSLOCATION ATPASE FROM MYCOBACTERIUM TUBERCULOSIS in APO FORM | | Descriptor: | PREPROTEIN TRANSLOCASE SECA 1 SUBUNIT | | Authors: | Sharma, V, Arockiasamy, A, Ronning, D.R, Savva, C.G, Holzenburg, A, Braunstein, M, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2003-01-06 | | Release date: | 2003-03-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of M. tuberculosis SecA, A Preprotein Translocating ATPase
Proc.Natl.Acad.Sci.USA, 100, 2003
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7RYT
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1M55
 | | Catalytic domain of the Adeno Associated Virus type 5 Rep protein | | Descriptor: | CHLORIDE ION, Rep protein, ZINC ION | | Authors: | Hickman, A.B, Ronning, D.R, Kotin, R.M, Dyda, F. | | Deposit date: | 2002-07-08 | | Release date: | 2002-08-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural unity among viral origin binding proteins: crystal structure of the nuclease domain of adeno-associated virus Rep.
Mol.Cell, 10, 2002
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7SEY
 | | M. tb EgtD in complex with SGH | | Descriptor: | 2-amino-1-[(3S)-3-methyl-4-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepan-1-yl]ethan-1-one, Histidine N-alpha-methyltransferase | | Authors: | Sudasinghe, T.D, Ronning, D.R. | | Deposit date: | 2021-10-02 | | Release date: | 2021-12-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021
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8FFF
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8GLB
 | | 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
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8GMI
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8GMK
 | | 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
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8GIW
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8GI7
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8GM9
 | | 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
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8GLL
 | | 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
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8GMF
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8S9D
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8S97
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7UVD
 | | Sco GlgEI-V279S in complex with cyclohexyl carbasugar | | Descriptor: | (1R,4S,5S,6R)-4-(cyclohexylamino)-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, DI(HYDROXYETHYL)ETHER | | Authors: | Jayasinghe, T.D, Ronning, D.R. | | Deposit date: | 2022-04-30 | | Release date: | 2023-05-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Sco GlgEI-V279S in complex with cyclohexyl carbasugar
To Be Published
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1BFZ
 | | BOUND CONFORMATION OF N-TERMINAL CLEAVAGE PRODUCT PEPTIDE MIMIC (P1-P9 OF RELEASE SITE) WHILE BOUND TO HCMV PROTEASE AS DETERMINED BY TRANSFERRED NOESY EXPERIMENTS (P1-P5 SHOWN ONLY), NMR, 32 STRUCTURES | | Descriptor: | HCMV PROTEASE R-SITE N-TERMINAL CLEAVAGE PRODUCT | | Authors: | Laplante, S.R, Aubry, N, Bonneau, P.R, Cameron, D.R, Lagace, L, Massariol, M.-J, Montpetit, H, Ploufe, C, Kawai, S.H, Fulton, B.D, Chen, Z, Ni, F. | | Deposit date: | 1998-05-25 | | Release date: | 1999-05-25 | | Last modified: | 2024-06-05 | | Method: | SOLUTION NMR | | Cite: | Human cytomegalovirus protease complexes its substrate recognition sequences in an extended peptide conformation.
Biochemistry, 37, 1998
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7USJ
 | | BRD4-BD2 in complex with SF2523 | | Descriptor: | 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one, Bromodomain-containing protein 4 | | Authors: | Jayasinghe, T.D, Ronning, D.R. | | Deposit date: | 2022-04-25 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
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7USK
 | | BRD4-BD2 Ligand free | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE | | Authors: | Jayasinghe, T.D, Ronning, D.R. | | Deposit date: | 2022-04-25 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
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7USI
 | | BRD2-BD1 in complex with MDP5 | | Descriptor: | (8M)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ... | | Authors: | Jayasinghe, T.D, Ronning, D.R. | | Deposit date: | 2022-04-25 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
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7USG
 | | BRD2-BD2 in complex with MDP5 | | Descriptor: | (8M)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ... | | Authors: | Jayasinghe, T.D, Ronning, D.R. | | Deposit date: | 2022-04-25 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
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7USH
 | | BRD2-BD2 in complex with SF2523 | | Descriptor: | 1,2-ETHANEDIOL, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one, Bromodomain-containing protein 2 | | Authors: | Jayasinghe, T.D, Ronning, D.R. | | Deposit date: | 2022-04-25 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
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4XHV
 | | Crystal structure of Drosophila Spinophilin-PDZ and a C-terminal peptide of Neurexin | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, LP20995p, ... | | Authors: | Driller, J.H, Muhammad, K.G.H, Reddy, S, Rey, U, Boehme, M.A, Hollmann, C, Ramesh, N, Depner, H, Luetzkendorf, J, Matkovic, T, Bergeron, D, Quentin, C, Schmoranzer, J, Goettfert, F, Holt, M, Wahl, M.C, Hell, S.W, Walter, A, Sigrist, S.J, Loll, B. | | Deposit date: | 2015-01-06 | | Release date: | 2015-07-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Presynaptic spinophilin tunes neurexin signalling to control active zone architecture and function.
Nat Commun, 6, 2015
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