2RMO
 
 | | Solution structure of alpha-spectrin_SH3-bergerac from Chicken | | Descriptor: | Spectrin alpha chain, brain | | Authors: | Kutyshenko, V.P, Prokhorov, D.A, Timchenko, M.A, Kudrevatykh, Y.A, Fedyukina, D.V, Gushchina, L.V, Khristoforov, V.S, Filimonov, V.V. | | Deposit date: | 2007-11-07 | | Release date: | 2008-09-30 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Study of the structure and dynamics of a chimeric variant of the SH3 domain (SHA-Bergerac) by NMR spectroscopy
Russ.J.Bioorganic Chem., 34, 2008
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6XAL
 | | Crystal structure of NzeB in complex with cyclo-(L-Trp-L-Val) | | Descriptor: | (3S,6S)-3-[(1H-indol-3-yl)methyl]-6-(propan-2-yl)piperazine-2,5-dione, NzeB, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Shende, V.V, Khatri, Y, Newmister, S.A, Sanders, J.N, Lindovska, P, Yu, F, Doyon, T.J, Kim, J, Movassaghi, M, Houk, K.N, Sherman, D.H. | | Deposit date: | 2020-06-04 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.349 Å) | | Cite: | Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase.
J.Am.Chem.Soc., 142, 2020
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6XAI
 | | Crystal structure of NzeB in complex with cyclo-(L-Trp-L-Pro) | | Descriptor: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 1,2-ETHANEDIOL, NzeB, ... | | Authors: | Shende, V.V, Khatri, Y, Newmister, S.A, Sanders, J.N, Lindovska, P, Yu, F, Doyon, T.J, Kim, J, Movassaghi, M, Houk, K.N, Sherman, D.H. | | Deposit date: | 2020-06-04 | | Release date: | 2021-06-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.489 Å) | | Cite: | Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase.
J.Am.Chem.Soc., 142, 2020
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6XAK
 | | Crystal structure of NzeB in complex with cyclo-(L-Trp-L-Pro) and cyclo-(L-Trp-L-Trp) | | Descriptor: | (3S,6S)-3,6-bis[(1H-indol-3-yl)methyl]piperazine-2,5-dione, (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 1,2-ETHANEDIOL, ... | | Authors: | Shende, V.V, Khatri, Y, Newmister, S.A, Sanders, J.N, Lindovska, P, Yu, F, Doyon, T.J, Kim, J, Movassaghi, M, Houk, K.N, Sherman, D.H. | | Deposit date: | 2020-06-04 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.479 Å) | | Cite: | Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase.
J.Am.Chem.Soc., 142, 2020
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6XAJ
 | | Crystal structure of NzeB | | Descriptor: | 1,2-ETHANEDIOL, NzeB, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Shende, V.V, Khatri, Y, Newmister, S.A, Sanders, J.N, Lindovska, P, Yu, F, Doyon, T.J, Kim, J, Movassaghi, M, Houk, K.N, Sherman, D.H. | | Deposit date: | 2020-06-04 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.498 Å) | | Cite: | Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase.
J.Am.Chem.Soc., 142, 2020
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6XAM
 | | Crystal structure of NzeB in complex with cyclo-(L-Trp-L-homoalanine) | | Descriptor: | (3S,6S)-3-ethyl-6-[(1H-indol-3-yl)methyl]piperazine-2,5-dione, 1,2-ETHANEDIOL, NzeB, ... | | Authors: | Shende, V.V, Khatri, Y, Newmister, S.A, Sanders, J.N, Lindovska, P, Yu, F, Doyon, T.J, Kim, J, Movassaghi, M, Houk, K.N, Sherman, D.H. | | Deposit date: | 2020-06-04 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.481 Å) | | Cite: | Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase.
J.Am.Chem.Soc., 142, 2020
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2KXD
 | | The structure of SH3-F2 | | Descriptor: | 11-mer peptide,Spectrin alpha chain, non-erythrocytic 1,Spectrin alpha chain, non-erythrocytic 1 | | Authors: | Kutyshenko, V.P, Gushchina, L.V, Khristoforov, V.S, Prokhorov, D.A, Timchenko, M.A, Kudrevatykh, I.u.A, Fedyukina, D.V, Filimonov, V.V. | | Deposit date: | 2010-04-30 | | Release date: | 2011-04-20 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | NMR structure and dynamics of the chimeric protein SH3-F2
Mol.Biol.(Engl.Transl.), 44, 2010
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1LA2
 | | Structural analysis of Saccharomyces cerevisiae myo-inositol phosphate synthase | | Descriptor: | Myo-inositol-1-phosphate synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Kniewel, R, Buglino, J.A, Shen, V, Chadna, T, Beckwith, A, Lima, C.D, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2002-03-27 | | Release date: | 2002-04-10 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural analysis of Saccharomyces cerevisiae myo-inositol phosphate synthase
J.STRUCT.FUNCT.GENOM., 2, 2002
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1LNZ
 | | Structure of the Obg GTP-binding protein | | Descriptor: | GUANOSINE-5',3'-TETRAPHOSPHATE, MAGNESIUM ION, SPO0B-associated GTP-binding protein | | Authors: | Buglino, J, Shen, V, Hakimian, P, Lima, C.D, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2002-05-04 | | Release date: | 2002-09-16 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and biochemical analysis of the Obg GTP binding protein
Structure, 10, 2002
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1P16
 | | Structure of an mRNA capping enzyme bound to the phosphorylated carboxyl-terminal domain of RNA polymerase II | | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, PHOSPHATE ION, ... | | Authors: | Fabrega, C, Shen, V, Shuman, S, Lima, C.D. | | Deposit date: | 2003-04-11 | | Release date: | 2003-07-15 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of an mRNA capping enzyme bound to the phosphorylated carboxy-terminal domain of RNA polymerase II.
Mol.Cell, 11, 2003
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1RI5
 | | Structure and mechanism of mRNA cap (guanine N-7) methyltransferase | | Descriptor: | mRNA CAPPING ENZYME | | Authors: | Fabrega, C, Hausmann, S, Shen, V, Shuman, S, Lima, C.D, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2003-11-16 | | Release date: | 2004-02-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and mechanism of mRNA cap (Guanine-n7) methyltransferase
Mol.Cell, 13, 2004
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1RI4
 | | Structure and mechanism of mRNA cap (guanine N-7) methyltransferase | | Descriptor: | S-ADENOSYLMETHIONINE, mRNA CAPPING ENZYME | | Authors: | Fabrega, C, Hausmann, S, Shen, V, Shuman, S, Lima, C.D. | | Deposit date: | 2003-11-16 | | Release date: | 2004-02-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure and mechanism of mRNA cap (Guanine-n7) methyltransferase
Mol.Cell, 13, 2004
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1RI1
 | | Structure and mechanism of mRNA cap (guanine N-7) methyltransferase | | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, S-ADENOSYL-L-HOMOCYSTEINE, mRNA CAPPING ENZYME | | Authors: | Fabrega, C, Hausmann, S, Shen, V, Shuman, S, Lima, C.D. | | Deposit date: | 2003-11-16 | | Release date: | 2004-02-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and mechanism of mRNA cap (Guanine-n7) methyltransferase
Mol.Cell, 13, 2004
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1RI2
 | | Structure and mechanism of mRNA cap (guanine N-7) methyltransferase | | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, mRNA CAPPING ENZYME | | Authors: | Fabrega, C, Hausmann, S, Shen, V, Shuman, S, Lima, C.D. | | Deposit date: | 2003-11-16 | | Release date: | 2004-02-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure and mechanism of mRNA cap (Guanine-n7) methyltransferase
Mol.Cell, 13, 2004
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1RI3
 | | Structure and mechanism of mRNA cap (guanine N-7) methyltransferase | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, mRNA CAPPING ENZYME | | Authors: | Fabrega, C, Hausmann, S, Shen, V, Shuman, S, Lima, C.D. | | Deposit date: | 2003-11-16 | | Release date: | 2004-02-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and mechanism of mRNA cap (Guanine-n7) methyltransferase
Mol.Cell, 13, 2004
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8P3A
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6U9I
 | | Crystal structure of BvnE pinacolase from Penicillium brevicompactum | | Descriptor: | BvnE, DI(HYDROXYETHYL)ETHER, GLYCEROL | | Authors: | Ye, Y, Du, L, Zhang, X, Newmister, S.A, McCauley, M, Alegre-Requena, J.V, Zhang, W, Mu, S, Minami, A, Fraley, A.E, Adrover-Castellano, M.L, Carney, N, Shende, V.V, Oikawa, H, Kato, H, Tsukamoto, S, Paton, R.S, Williams, R.M, Sherman, D.H, Li, S. | | Deposit date: | 2019-09-09 | | Release date: | 2020-09-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.777 Å) | | Cite: | Fungal-derived brevianamide assembly by a stereoselective semipinacolase.
Nat Catal, 3, 2020
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7S3J
 | | Crystal Structure of AspB P450 in complex with brevianamide F substrates | | Descriptor: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, AspB, GLYCEROL, ... | | Authors: | Newmister, S.A, Shende, V.V, Harris, N.R, Sanders, J.N, Khatri, Y, Movassaghi, M, Houk, K.N, Sherman, D.H. | | Deposit date: | 2021-09-07 | | Release date: | 2022-11-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Molecular Dynamics Simulations Guide Chimeragenesis and Engineered Control of Chemoselectivity in Diketopiperazine Dimerases.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7S3T
 | | NzeB Diketopiperazine Dimerase Mutant: Q68I-G87A-A89G-I90V | | Descriptor: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | Authors: | Harris, N.R, Shende, V.V, Sanders, J.N, Newmister, S.A, Khatri, Y, Movassaghi, M, Houk, K.N, Sherman, D.H. | | Deposit date: | 2021-09-08 | | Release date: | 2022-10-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Molecular Dynamics Simulations Guide Chimeragenesis and Engineered Control of Chemoselectivity in Diketopiperazine Dimerases.
Angew.Chem.Int.Ed.Engl., 2023
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2KR3
 | | Solution structure of SHA-D | | Descriptor: | Spectrin alpha chain, brain | | Authors: | Khristoforov, V.S, Prokhorov, D.A, Timchenko, M.A, Kudrevatykh, Y.A, Gushchina, L.V, Filimonov, V.V, Kutyshenko, V.P. | | Deposit date: | 2009-12-03 | | Release date: | 2010-09-15 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Chimeric SHA-D domain "SH3-Bergerac": 3D structure and dynamics studies
Russ.J.Bioorganic Chem., 36, 2010
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2MXZ
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