6F5W
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![BU of 6f5w by Molmil](/molmil-images/mine/6f5w) | Photorhabdus asymbiotica lectin (PHL) in complex with propargyl-fucoside | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, SODIUM ION, ... | Authors: | Houser, J, Jancarikova, G, Wimmerova, M, Csavas, M, Borbas, A, Herczeg, M, Fujdiarova, E, Kover, E.K. | Deposit date: | 2017-12-04 | Release date: | 2018-01-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Synthesis of alpha-l-Fucopyranoside-Presenting Glycoclusters and Investigation of Their Interaction with Photorhabdus asymbiotica Lectin (PHL). Chemistry, 24, 2018
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6MG0
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![BU of 6mg0 by Molmil](/molmil-images/mine/6mg0) | Crystal structure of a 5-domain construct of LgrA in the thiolation state | Descriptor: | 5'-({[(2R,3R)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-{[oxido(oxo)phosphonio]oxy}butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-4-methylpentyl]sulfonyl}amino)-5'-deoxyadenosine, Linear gramicidin synthase subunit A | Authors: | Reimer, J.M, Eivaskhani, M, Harb, I, Schmeing, T.M. | Deposit date: | 2018-09-12 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (6 Å) | Cite: | Structures of a dimodular nonribosomal peptide synthetase reveal conformational flexibility. Science, 366, 2019
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6MFX
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![BU of 6mfx by Molmil](/molmil-images/mine/6mfx) | Crystal structure of a 4-domain construct of a mutant of LgrA in the substrate donation state | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Linear gramicidin synthase subunit A, N-[2-(acetylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | Authors: | Reimer, J.M, Eivaskhani, M, Schmeing, T.M. | Deposit date: | 2018-09-12 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of a dimodular nonribosomal peptide synthetase reveal conformational flexibility. Science, 366, 2019
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6MFZ
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![BU of 6mfz by Molmil](/molmil-images/mine/6mfz) | Crystal structure of dimodular LgrA in a condensation state | Descriptor: | 4'-PHOSPHOPANTETHEINE, Linear gramicidin synthase subunit A | Authors: | Reimer, J.M, Eivaskhani, M, Harb, I, Schmeing, T.M. | Deposit date: | 2018-09-12 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (6 Å) | Cite: | Structures of a dimodular nonribosomal peptide synthetase reveal conformational flexibility. Science, 366, 2019
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6MFW
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![BU of 6mfw by Molmil](/molmil-images/mine/6mfw) | Crystal structure of a 4-domain construct of LgrA in the substrate donation state | Descriptor: | (2~{R})-~{N}-[3-[2-[[(2~{S})-2-formamido-3-methyl-butanoyl]amino]ethylamino]-3-oxidanylidene-propyl]-3,3-dimethyl-2-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-butanamide, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Linear gramicidin synthase subunit A, ... | Authors: | Reimer, J.M, Eivaskhani, M, Schmeing, T.M. | Deposit date: | 2018-09-12 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of a dimodular nonribosomal peptide synthetase reveal conformational flexibility. Science, 366, 2019
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6MFY
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![BU of 6mfy by Molmil](/molmil-images/mine/6mfy) | Crystal structure of a 5-domain construct of LgrA in the substrate donation state | Descriptor: | 4'-PHOSPHOPANTETHEINE, Linear gramicidin synthase subunit A, PHOSPHATE ION | Authors: | Reimer, J.M, Eivaskhani, M, Harb, I, Schmeing, T.M. | Deposit date: | 2018-09-12 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of a dimodular nonribosomal peptide synthetase reveal conformational flexibility. Science, 366, 2019
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6YUG
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![BU of 6yug by Molmil](/molmil-images/mine/6yug) | Crystal structure of C. parvum GNA1 in complex with acetyl-CoA and glucose 6P. | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, ACETYL COENZYME *A, Diamine acetyltransferase | Authors: | Chi, J, Cova, M, de las Rivas, M, Medina, A, Borges, R, Leivar, P, Planas, A, Uson, I, Hurtado-Guerrero, R, Izquierdo, L. | Deposit date: | 2020-04-27 | Release date: | 2020-09-30 | Last modified: | 2020-11-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Plasmodium falciparum Apicomplexan-Specific Glucosamine-6-Phosphate N -Acetyltransferase Is Key for Amino Sugar Metabolism and Asexual Blood Stage Development. Mbio, 11, 2020
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1MRB
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![BU of 1mrb by Molmil](/molmil-images/mine/1mrb) | THREE-DIMENSIONAL STRUCTURE OF RABBIT LIVER CD7 METALLOTHIONEIN-2A IN AQUEOUS SOLUTION DETERMINED BY NUCLEAR MAGNETIC RESONANCE | Descriptor: | CADMIUM ION, CD7 METALLOTHIONEIN-2A | Authors: | Braun, W, Arseniev, A, Schultze, P, Woergoetter, E, Wagner, G, Vasak, M, Kaegi, J.H.R, Wuthrich, K. | Deposit date: | 1990-05-14 | Release date: | 1991-04-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Three-dimensional structure of rabbit liver [Cd7]metallothionein-2a in aqueous solution determined by nuclear magnetic resonance. J.Mol.Biol., 201, 1988
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6XAI
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![BU of 6xai by Molmil](/molmil-images/mine/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
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![BU of 6xak by Molmil](/molmil-images/mine/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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6XAL
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![BU of 6xal by Molmil](/molmil-images/mine/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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6XAM
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![BU of 6xam by Molmil](/molmil-images/mine/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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6XAJ
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![BU of 6xaj by Molmil](/molmil-images/mine/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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1CED
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![BU of 1ced by Molmil](/molmil-images/mine/1ced) | THE STRUCTURE OF CYTOCHROME C6 FROM MONORAPHIDIUM BRAUNII, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | CYTOCHROME C6, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Banci, L, Bertini, I, Quacquarini, G, Walter, O, Diaz, A, Hervas, M, De La Rosa, M.A. | Deposit date: | 1996-03-06 | Release date: | 1996-08-17 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | The solution structure of cytochrome c6 from the green alga Monoraphidium braunii J.Biol.Inorg.Chem., 1, 1996
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5FV9
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![BU of 5fv9 by Molmil](/molmil-images/mine/5fv9) | Crystal structure of GalNAc-T2 in complex with compound 16d | Descriptor: | 1,2-ETHANEDIOL, GALNAC-T2, GLYCEROL, ... | Authors: | Ghirardello, M, Rivas, M, Lacetera, A, Delso, I, Lira-Navarrete, E, Tejero, T, Martin-Santamaria, S, Hurtado-Guerrero, R, Merino, P. | Deposit date: | 2016-02-03 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Glycomimetics Targeting Glycosyltransferases: Synthetic, Computational and Structural Studies of Less-Polar Conjugates. Chemistry, 22, 2016
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1MRT
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![BU of 1mrt by Molmil](/molmil-images/mine/1mrt) | CONFORMATION OF CD-7 METALLOTHIONEIN-2 FROM RAT LIVER IN AQUEOUS SOLUTION DETERMINED BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY | Descriptor: | CADMIUM ION, CD7 METALLOTHIONEIN-2 | Authors: | Braun, W, Schultze, P, Woergoetter, E, Wagner, G, Vasak, M, Kaegi, J.H.R, Wuthrich, K. | Deposit date: | 1990-05-14 | Release date: | 1991-04-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Conformation of [Cd7]-metallothionein-2 from rat liver in aqueous solution determined by nuclear magnetic resonance spectroscopy. J.Mol.Biol., 203, 1988
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3ZC3
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![BU of 3zc3 by Molmil](/molmil-images/mine/3zc3) | FERREDOXIN-NADP REDUCTASE (MUTATION S80A) COMPLEXED WITH NADP BY COCRYSTALLIZATION | Descriptor: | FERREDOXIN-NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Martinez-Julvez, M, Hurtado-Guerrero, R, Herguedas, B, Sanchez-Azqueta, A, Hervas, M, Navarro, J.A, Medina, M. | Deposit date: | 2012-11-15 | Release date: | 2013-11-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A Hydrogen Bond Network in the Active Site of Anabaena Ferredoxin-Nadp(+) Reductase Modulates its Catalytic Efficiency. Biochim.Biophys.Acta, 1837, 2013
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4BPR
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![BU of 4bpr by Molmil](/molmil-images/mine/4bpr) | FERREDOXIN-NADP REDUCTASE MUTANT WITH TYR 79 REPLACED BY PHE (Y79F) | Descriptor: | FERREDOXIN-NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Herguedas, B, Martinez-Julvez, M, Sanchez-Azqueta, A, Hervas, M, Navarro, J.A, Medina, M. | Deposit date: | 2013-05-28 | Release date: | 2013-11-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Hydrogen Bond Network in the Active Site of Anabaena Ferredoxin-Nadp(+) Reductase Modulates its Catalytic Efficiency. Biochim.Biophys.Acta, 1837, 2013
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1MHU
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![BU of 1mhu by Molmil](/molmil-images/mine/1mhu) | THE THREE-DIMENSIONAL STRUCTURE OF HUMAN [113CD7] METALLOTHIONEIN-2 IN SOLUTION DETERMINED BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY | Descriptor: | CADMIUM ION, CD7 METALLOTHIONEIN-2 | Authors: | Braun, W, Messerle, B.A, Schaeffer, A, Vasak, M, Kaegi, J.H.R, Wuthrich, K. | Deposit date: | 1990-05-14 | Release date: | 1991-04-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Three-dimensional structure of human [113Cd7]metallothionein-2 in solution determined by nuclear magnetic resonance spectroscopy. J.Mol.Biol., 214, 1990
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3ZBT
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![BU of 3zbt by Molmil](/molmil-images/mine/3zbt) | Ferredoxin-NADP Reductase Mutant with SER 59 Replaced by ALA (S59A) | Descriptor: | FERREDOXIN-NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Martinez-Julvez, M, Herguedas, B, Sanchez-Azqueta, A, Hervas, M, Navarro, J.A, Medina, M. | Deposit date: | 2012-11-13 | Release date: | 2013-11-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | A Hydrogen Bond Network in the Active Site of Anabaena Ferredoxin-Nadp(+) Reductase Modulates its Catalytic Efficiency. Biochim.Biophys.Acta, 1837, 2013
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3ZBU
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![BU of 3zbu by Molmil](/molmil-images/mine/3zbu) | Ferredoxin-NADP Reductase Mutant with SER 80 Replaced by ALA (S80A) | Descriptor: | FERREDOXIN-NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Martinez-Julvez, M, Herguedas, B, Sanchez-Azqueta, A, Hervas, M, Navarro, J.A, Medina, M. | Deposit date: | 2012-11-13 | Release date: | 2013-11-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | A Hydrogen Bond Network in the Active Site of Anabaena Ferredoxin-Nadp(+) Reductase Modulates its Catalytic Efficiency. Biochim.Biophys.Acta, 1837, 2013
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4C43
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![BU of 4c43 by Molmil](/molmil-images/mine/4c43) | FERREDOXIN NADP REDUCTASE MUTANT WITH GLU 103 REPLACED BY TYR, TYR 104 REPLACED BY PHE, SER 109 REPLACED BY PHE AND GLY 110 REPLACED BY PRO (E103Y-Y104F-S109F-G110P) | Descriptor: | FERREDOXIN--NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Martinez-Julvez, M, Herguedas, B, Sanchez-Azqueta, A, Hervas, M, Navarro, J.A, Medina, M. | Deposit date: | 2013-08-29 | Release date: | 2013-12-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | External Loops at the Ferredoxin-Nadp(+) Reductase Protein-Partner Binding Cavity Contribute to Substrates Allocation. Biochim.Biophys.Acta, 1837, 2013
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5AJP
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![BU of 5ajp by Molmil](/molmil-images/mine/5ajp) | Crystal structure of the active form of GalNAc-T2 in complex with UDP and the glycopeptide MUC5AC-13 | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MANGANESE (II) ION, MUCIN, ... | Authors: | Lira-Navarrete, E, delasRivas, M, Companon, I, Pallares, M.C, Kong, Y, Iglesias-Fernandez, J, Bernardes, G.J.L, Peregrina, J.M, Rovira, C, Bernado, P, Bruscolini, P, Clausen, H, Lostao, A, Corzana, F, Hurtado-Guerrero, R. | Deposit date: | 2015-02-26 | Release date: | 2015-03-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Dynamic Interplay between Catalytic and Lectin Domains of Galnac-Transferases Modulates Protein O-Glycosylation. Nat.Commun., 6, 2015
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6S24
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![BU of 6s24 by Molmil](/molmil-images/mine/6s24) | Crystal structure of the TgGalNAc-T3 in complex with UDP, manganese and the peptide 3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ALA-THR-GLY-ALA-GLY-ALA-GLY-ALA-GLY-THR-THR-PRO-GLY-PRO, ... | Authors: | de las Rivas, M, Daniel, E.J.P, Narimatsu, Y, Companon, I, Kato, K, Hermosilla, P, Thureau, A, Ceballos-Laita, L, Coelho, H, Bernado, P, Marcelo, F, Hansen, L, Lostao, A, Corzana, F, Clausen, H, Gerken, T.A, Hurtado-Guerrero, R. | Deposit date: | 2019-06-20 | Release date: | 2019-12-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Molecular basis for fibroblast growth factor 23 O-glycosylation by GalNAc-T3. Nat.Chem.Biol., 16, 2020
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6EGS
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![BU of 6egs by Molmil](/molmil-images/mine/6egs) | Crystal structure of the GalNAc-T2 F104S mutant in complex with UDP-GalNAc | Descriptor: | MANGANESE (II) ION, Polypeptide N-acetylgalactosaminyltransferase 2, URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE | Authors: | de las Rivas, M, Coelho, H, Diniz, A, Lira-Navarrete, E, Jimenez-Barbero, J, Schjoldager, K.T, Bennett, E.P, Vakhrushev, S.Y, Clausen, H, Corzana, F, Marcelo, F, Hurtado-Guerrero, R. | Deposit date: | 2017-09-12 | Release date: | 2018-04-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Analysis of a GalNAc-T2 Mutant Reveals an Induced-Fit Catalytic Mechanism for GalNAc-Ts. Chemistry, 24, 2018
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