3QW2
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![BU of 3qw2 by Molmil](/molmil-images/mine/3qw2) | L-myo-inositol 1-phosphate synthase from Archaeoglobus mutant N255A | Descriptor: | GLYCEROL, Myo-inositol-1-phosphate synthase (Ino1), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Neelon, K, Roberts, M.F, Stec, B. | Deposit date: | 2011-02-26 | Release date: | 2012-01-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Crystal structure of a trapped catalytic intermediate suggests that forced atomic proximity drives the catalysis of mIPS. Biophys.J., 101, 2011
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7JLL
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![BU of 7jll by Molmil](/molmil-images/mine/7jll) | The internal aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A in complex with inhibitor 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site, Cesium ion at the metal coordination site and L-Tryptophan at the enzyme beta-site | Descriptor: | 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, CESIUM ION, ... | Authors: | Hilario, E, Dunn, M.F, Mueller, L.J. | Deposit date: | 2020-07-29 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The internal aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A in complex with inhibitor 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site, Cesium ion at the metal coordination site and L-Tryptophan at the enzyme beta-site. To be Published
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7JMQ
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![BU of 7jmq by Molmil](/molmil-images/mine/7jmq) | The external aldimine form of the mutant beta-S377A Salmonella thypi tryptophan synthase in open conformation showing dual side chain conformations for the residue beta-Q114, sodium ion at the metal coordination site, and F9 inhibitor at the alpha-site. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring | Descriptor: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ... | Authors: | Hilario, E, Dunn, M.F, Mueller, L.J. | Deposit date: | 2020-08-02 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The external aldimine form of mutant beta-S377A Salmonella thypi tryptophan synthase in open conformation showing dual side chain conformations for the residue beta-Q114, sodium ion at the metal coordination site, and F9 inhibitor at the alpha-site. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring. To be Published
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7JTT
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7JQW
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![BU of 7jqw by Molmil](/molmil-images/mine/7jqw) | |
8T1S
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![BU of 8t1s by Molmil](/molmil-images/mine/8t1s) | Structure of the alpha-N-methyltransferase (SonM) and RiPP precursor (SonA with QSY deletion) heteromeric complex (bound to SAH) | Descriptor: | Alpha-N-methyltransferase, Extradiol ring-cleavage dioxygenase LigAB LigA subunit domain-containing protein, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Crone, K.K, Jomori, T, Miller, F.S, Gralnick, J, Elias, M, Freeman, M.F. | Deposit date: | 2023-06-03 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | RiPP enzyme heterocomplex structure-guided discovery of a bacterial borosin alpha- N -methylated peptide natural product. Rsc Chem Biol, 4, 2023
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7K0B
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5HFA
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![BU of 5hfa by Molmil](/molmil-images/mine/5hfa) | Crystal structure of human acetylcholinesterase in complex with paraoxon and 2-PAM | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Franklin, M.F, Rudolph, M.J, Ginter, C, Cassidy, M.S, Cheung, J. | Deposit date: | 2016-01-06 | Release date: | 2016-06-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Structures of paraoxon-inhibited human acetylcholinesterase reveal perturbations of the acyl loop and the dimer interface. Proteins, 84, 2016
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3QVW
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![BU of 3qvw by Molmil](/molmil-images/mine/3qvw) | L-myo-inositol 1-phosphate synthase from Archaeoglobus fulgidus mutant K278A | Descriptor: | GLYCEROL, Myo-inositol-1-phosphate synthase (Ino1), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Neelon, K, Roberts, M.F, Stec, B. | Deposit date: | 2011-02-26 | Release date: | 2012-01-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a trapped catalytic intermediate suggests that forced atomic proximity drives the catalysis of mIPS. Biophys.J., 101, 2011
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8RE0
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![BU of 8re0 by Molmil](/molmil-images/mine/8re0) | Soluble glucose dehydrogenase from acinetobacter calcoaceticus - double mutant pH8 | Descriptor: | 3-(3,5-dicarboxy-1~{H}-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid, CALCIUM ION, LITHIUM ION, ... | Authors: | Lublin, V, Chavas, L, Stines-Chaumeil, C, Kauffmann, B, Giraud, M.F, Thompson, A. | Deposit date: | 2023-12-09 | Release date: | 2024-05-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Does Acinetobacter calcoaceticus glucose dehydrogenase produce self-damaging H2O2? Biosci.Rep., 44, 2024
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8RG1
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![BU of 8rg1 by Molmil](/molmil-images/mine/8rg1) | Soluble glucose dehydrogenase from acinetobacter calcoaceticus - wild type pH8 | Descriptor: | 3-(3,5-dicarboxy-1~{H}-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid, CALCIUM ION, LITHIUM ION, ... | Authors: | Lublin, V, Chavas, L, Stines-Chaumeil, C, Kauffmann, B, Giraud, M.F, Thompson, A. | Deposit date: | 2023-12-13 | Release date: | 2024-05-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Does Acinetobacter calcoaceticus glucose dehydrogenase produce self-damaging H2O2? Biosci.Rep., 44, 2024
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3QVT
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![BU of 3qvt by Molmil](/molmil-images/mine/3qvt) | L-myo-inositol 1-phosphate synthase from Archaeoglobus fulgidus wild-type with the intermediate 5-keto 1-phospho glucose | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, Myo-inositol-1-phosphate synthase (Ino1), ... | Authors: | Neelon, K, Roberts, M.F, Stec, B. | Deposit date: | 2011-02-25 | Release date: | 2012-01-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a trapped catalytic intermediate suggests that forced atomic proximity drives the catalysis of mIPS. Biophys.J., 101, 2011
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3QKJ
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![BU of 3qkj by Molmil](/molmil-images/mine/3qkj) | The PWWP domain of human DNA (CYTOSINE-5-)-METHYLTRANSFERASE 3 BETA in complex with a bis-tris molecule | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA cytosine-5 methyltransferase 3 beta isoform 6 variant, SULFATE ION | Authors: | Zeng, H, Amaya, M.F, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Botchkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2011-02-01 | Release date: | 2011-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural and Histone Binding Ability Characterizations of Human PWWP Domains. Plos One, 6, 2011
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3QFV
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![BU of 3qfv by Molmil](/molmil-images/mine/3qfv) | MRCK beta in complex with TPCA-1 | Descriptor: | 1,2-ETHANEDIOL, 2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide, CDC42BPB protein, ... | Authors: | Heikkila, T.J, Wheatley, E, Crighton, D, Schroder, E, Boakes, A, Kaye, S.J, Mezna, M, Pang, L, Rushbrooke, M, Turnbull, A, Olson, M.F. | Deposit date: | 2011-01-23 | Release date: | 2011-10-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Co-crystal structures of inhibitors with MRCK beta , a key regulator of tumor cell invasion. Plos One, 6, 2011
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7M2L
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![BU of 7m2l by Molmil](/molmil-images/mine/7m2l) | The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the alpha-and beta-site, sodium ion at the metal coordination site, and another F6F molecule at the enzyme beta-site at 1.60 Angstrom resolution. Two of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring | Descriptor: | 1,2-ETHANEDIOL, 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, CHLORIDE ION, ... | Authors: | Hilario, E, Dunn, M.F, Mueller, L.J. | Deposit date: | 2021-03-16 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the alpha-and beta-site, sodium ion at the metal coordination site, and another F6F molecule at the enzyme beta-site at 1.60 Angstrom resolution. To be Published
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7M3S
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![BU of 7m3s by Molmil](/molmil-images/mine/7m3s) | The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the alpha-and beta-site, sodium ion at the metal coordination site, and another F6F molecule at the enzyme beta-site at 1.55 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring | Descriptor: | 1,2-ETHANEDIOL, 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, CHLORIDE ION, ... | Authors: | Hilario, E, Dunn, M.F, Mueller, L.J. | Deposit date: | 2021-03-18 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the alpha-and beta-site, sodium ion at the metal coordination site, and another F6F molecule at the enzyme beta-site at 1.55 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring. To be Published
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3O7N
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8T3N
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![BU of 8t3n by Molmil](/molmil-images/mine/8t3n) | Solution NMR structure of synthetic peptide AMPCry10Aa_5 rational designed from Cry10Aa bacterial protein | Descriptor: | Pesticidal crystal protein Cry10Aa peptide | Authors: | Barra, J.B, Freitas, C.D.P, Rios, T.B, Maximiano, M.R, Fernandes, F.C, Amorim, G.C, Porto, W.F, Grossi-de-Sa, M.F, Franco, O.F, Liao, L.M. | Deposit date: | 2023-06-07 | Release date: | 2024-06-12 | Last modified: | 2024-07-24 | Method: | SOLUTION NMR | Cite: | Anti-Staphy Peptides Rationally Designed from Cry10Aa Bacterial Protein. Acs Omega, 9, 2024
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8T3H
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![BU of 8t3h by Molmil](/molmil-images/mine/8t3h) | Solution NMR structure alpha-helix 3 of Cry10Aa protein | Descriptor: | Pesticidal crystal protein Cry10Aa peptide | Authors: | Barra, J.B, Freitas, C.D.P, Rios, T.B, Maximiano, M.R, Fernandes, F.C, Amorim, G.C, Porto, W.F, Grossi-de-Sa, M.F, Franco, O.F, Liao, L.M. | Deposit date: | 2023-06-07 | Release date: | 2024-06-12 | Method: | SOLUTION NMR | Cite: | Alpha-helix 3 of Cry10Aa protein To Be Published
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7ME8
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![BU of 7me8 by Molmil](/molmil-images/mine/7me8) | The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the beta-site, sodium ion at the metal coordination site and dual beta-Q114 rotamer conformation at 1.60 Angstrom resolution | Descriptor: | 1,2-ETHANEDIOL, 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Hilario, E, Dunn, M.F, Mueller, L.J. | Deposit date: | 2021-04-06 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the beta-site, sodium ion at the metal coordination site and dual beta-Q114 rotamer conformation at 1.60 Angstrom resolution. To be Published
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8TE7
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![BU of 8te7 by Molmil](/molmil-images/mine/8te7) | Structure of TRNM-f.01 | Descriptor: | TRNM-f.01 Fab Heavy Chain, TRNM-f.01 Fab Light Chain | Authors: | Bender, M.F, Olia, A.S, Kwong, P.D. | Deposit date: | 2023-07-05 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | Broad and Potent HIV-1 Neutralization in Fusion Peptide-primed SHIV-boosted Macaques To Be Published
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7MT4
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![BU of 7mt4 by Molmil](/molmil-images/mine/7mt4) | Crystal structure of tryptophan Synthase in complex with F9, NH4+, pH7.8 - alpha aminoacrylate form - E(A-A) | Descriptor: | 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, AMMONIUM ION, ... | Authors: | Drago, V, Hilario, E, Dunn, M.F, Mueser, T.C, Mueller, L.J. | Deposit date: | 2021-05-12 | Release date: | 2021-12-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Imaging active site chemistry and protonation states: NMR crystallography of the tryptophan synthase alpha-aminoacrylate intermediate. Proc.Natl.Acad.Sci.USA, 119, 2022
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7MT5
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![BU of 7mt5 by Molmil](/molmil-images/mine/7mt5) | Crystal structure of tryptophan synthase in complex with F9, Cs+, pH7.8 - alpha aminoacrylate form - E(A-A) | Descriptor: | 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, CESIUM ION, ... | Authors: | Drago, V, Hilario, E, Dunn, M.F, Mueser, T.C, Mueller, L.J. | Deposit date: | 2021-05-12 | Release date: | 2021-12-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Imaging active site chemistry and protonation states: NMR crystallography of the tryptophan synthase alpha-aminoacrylate intermediate. Proc.Natl.Acad.Sci.USA, 119, 2022
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7MT6
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![BU of 7mt6 by Molmil](/molmil-images/mine/7mt6) | Crystal structure of tryptophan synthase in complex with F9, Cs+, benzimidazole, pH7.8 - alpha aminoacrylate form - E(A-A)(BZI) | Descriptor: | 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, BENZIMIDAZOLE, ... | Authors: | Drago, V, Hilario, E, Dunn, M.F, Mueser, T.C, Mueller, L.J. | Deposit date: | 2021-05-12 | Release date: | 2021-12-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Imaging active site chemistry and protonation states: NMR crystallography of the tryptophan synthase alpha-aminoacrylate intermediate. Proc.Natl.Acad.Sci.USA, 119, 2022
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5IOJ
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![BU of 5ioj by Molmil](/molmil-images/mine/5ioj) | |