7AKJ
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![BU of 7akj by Molmil](/molmil-images/mine/7akj) | Structure of the SARS-CoV spike glycoprotein in complex with the 47D11 neutralizing antibody Fab fragment | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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: | Fedry, J, Hurdiss, D.L, Wang, C, Li, W, Obal, G, Drulyte, I, Howes, S.C, van Kuppeveld, F.J.M, Foerster, F, Bosch, B.J. | Deposit date: | 2020-10-01 | Release date: | 2021-05-19 | Last modified: | 2021-06-16 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural insights into the cross-neutralization of SARS-CoV and SARS-CoV-2 by the human monoclonal antibody 47D11. Sci Adv, 7, 2021
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6U4S
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![BU of 6u4s by Molmil](/molmil-images/mine/6u4s) | wild type cysteine dioxygenase | Descriptor: | Cysteine dioxygenase type 1, FE (III) ION | Authors: | Meneely, K.M, Chilton, A.S, Forbes, D.L, Ellis, H.R, Lamb, A.L. | Deposit date: | 2019-08-26 | Release date: | 2020-07-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | The 3-His Metal Coordination Site Promotes the Coupling of Oxygen Activation to Cysteine Oxidation in Cysteine Dioxygenase. Biochemistry, 59, 2020
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6U9E
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![BU of 6u9e by Molmil](/molmil-images/mine/6u9e) | Structure of PdpA-VgrG Complex, Lidless | Descriptor: | PdpA, VgrG | Authors: | Yang, X, Clemens, D.L, Lee, B.-Y, Cui, Y, Zhou, Z.H, Horwitz, M.A. | Deposit date: | 2019-09-08 | Release date: | 2019-10-23 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.21 Å) | Cite: | Atomic Structure of the Francisella T6SS Central Spike Reveals a Unique alpha-Helical Lid and a Putative Cargo. Structure, 27, 2019
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6U4L
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![BU of 6u4l by Molmil](/molmil-images/mine/6u4l) | cysteine dioxygenase variant - C93E | Descriptor: | ACETATE ION, Cysteine dioxygenase type 1, FE (III) ION | Authors: | Meneely, K.M, Chilton, A.S, Forbes, D.L, Ellis, H.R, Lamb, A.L. | Deposit date: | 2019-08-26 | Release date: | 2020-07-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.911 Å) | Cite: | The 3-His Metal Coordination Site Promotes the Coupling of Oxygen Activation to Cysteine Oxidation in Cysteine Dioxygenase. Biochemistry, 59, 2020
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6U9G
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![BU of 6u9g by Molmil](/molmil-images/mine/6u9g) | Structure of Francisella PdpA-VgrG Complex, half-lidded | Descriptor: | PdpA, VgrG | Authors: | Yang, X, Clemens, D.L, Lee, B.-Y, Cui, Y, Zhou, Z.H, Horwitz, M.A. | Deposit date: | 2019-09-08 | Release date: | 2019-10-23 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.98 Å) | Cite: | Atomic Structure of the Francisella T6SS Central Spike Reveals a Unique alpha-Helical Lid and a Putative Cargo. Structure, 27, 2019
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7CRB
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![BU of 7crb by Molmil](/molmil-images/mine/7crb) | Cryo-EM structure of plant NLR RPP1 LRR-ID domain in complex with ATR1 | Descriptor: | Avirulence protein ATR1, NAD+ hydrolase (NADase) | Authors: | Ma, S.C, Lapin, D, Liu, L, Sun, Y, Song, W, Zhang, X.X, Logemann, E, Yu, D.L, Wang, J, Jirschitzka, J, Han, Z.F, SchulzeLefert, P, Parker, J.E, Chai, J.J. | Deposit date: | 2020-08-13 | Release date: | 2020-12-16 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | Direct pathogen-induced assembly of an NLR immune receptor complex to form a holoenzyme. Science, 370, 2020
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6RJ0
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![BU of 6rj0 by Molmil](/molmil-images/mine/6rj0) | |
1D9E
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![BU of 1d9e by Molmil](/molmil-images/mine/1d9e) | STRUCTURE OF E. COLI KDO8P SYNTHASE | Descriptor: | 3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE SYNTHASE, SULFATE ION | Authors: | Radaev, S, Dastidar, P, Patel, M, Woodard, R.W, Gatti, D.L. | Deposit date: | 1999-10-27 | Release date: | 2000-05-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure and mechanism of 3-deoxy-D-manno-octulosonate 8-phosphate synthase. J.Biol.Chem., 275, 2000
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5N81
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![BU of 5n81 by Molmil](/molmil-images/mine/5n81) | Crystal structure of an engineered TycA variant in complex with an O-propargyl-beta-Tyr-AMP analog | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, Tyrocidine synthase 1, ... | Authors: | Niquille, D.L, Hansen, D.A, Mori, T, Fercher, D, Kries, H, Hilvert, D. | Deposit date: | 2017-02-22 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Nonribosomal biosynthesis of backbone-modified peptides. Nat Chem, 10, 2018
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5NEI
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![BU of 5nei by Molmil](/molmil-images/mine/5nei) | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with JES107 | Descriptor: | 2-[[3-[[5-(3-iodanylphenyl)carbonylthiophen-2-yl]carbonylamino]phenyl]methyl]propanedioic acid, Serine/threonine-protein kinase PLK1 | Authors: | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | Deposit date: | 2017-03-10 | Release date: | 2018-02-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | A fragment-based approach to developing inhibitors of the cryptic pocket of the Polo-Like Kinase 1 Polo-Box Domain. To Be Published
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7B02
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![BU of 7b02 by Molmil](/molmil-images/mine/7b02) | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 4-Hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid | Descriptor: | 4-Hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | Deposit date: | 2020-11-18 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments. Acs Infect Dis., 7, 2021
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6U9F
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![BU of 6u9f by Molmil](/molmil-images/mine/6u9f) | Structure of Francisella PdpA-VgrG Complex, Lidded | Descriptor: | PdpA, VgrG | Authors: | Yang, X, Clemens, D.L, Lee, B.-Y, Cui, Y.X, Horwitz, M.A, Zhou, Z.H. | Deposit date: | 2019-09-08 | Release date: | 2019-10-23 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.35 Å) | Cite: | Atomic Structure of the Francisella T6SS Central Spike Reveals a Unique alpha-Helical Lid and a Putative Cargo. Structure, 27, 2019
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6RTM
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![BU of 6rtm by Molmil](/molmil-images/mine/6rtm) | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1-[(dimethylamino)methyl]-2-naphthol at 2 hour of soaking | Descriptor: | 1-methylidenenaphthalen-2-one, FLAVIN-ADENINE DINUCLEOTIDE, POTASSIUM ION, ... | Authors: | Angelucci, F, Silvestri, I, Fata, F, Williams, D.L. | Deposit date: | 2019-05-24 | Release date: | 2020-01-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Ectopic suicide inhibition of thioredoxin glutathione reductase. Free Radic Biol Med, 147, 2020
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6RTJ
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![BU of 6rtj by Molmil](/molmil-images/mine/6rtj) | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1-[(dimethylamino)methyl]-2-naphthol at 1 hour of soaking | Descriptor: | 1-[(dimethylamino)methyl]naphthalen-2-ol, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Angelucci, F, Silvestri, I, Fata, F, Williams, D.L. | Deposit date: | 2019-05-24 | Release date: | 2020-01-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Ectopic suicide inhibition of thioredoxin glutathione reductase. Free Radic Biol Med, 147, 2020
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5NN2
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![BU of 5nn2 by Molmil](/molmil-images/mine/5nn2) | The structure of the polo-box domain (PBD) of Plk1 in complex with Z228588490 | Descriptor: | (3~{R},5~{R})-1-[2,4-bis(fluoranyl)phenyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid, Serine/threonine-protein kinase PLK1 | Authors: | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | Deposit date: | 2017-04-07 | Release date: | 2018-02-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | A fragment-based approach to developing inhibitors of the cryptic pocket of the Polo-Like Kinase 1 Polo-Box Domain. To Be Published
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6U4V
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![BU of 6u4v by Molmil](/molmil-images/mine/6u4v) | Non-crosslinked wild type cysteine dioxygenase | Descriptor: | Cysteine dioxygenase type 1, FE (III) ION | Authors: | Meneely, K.M, Chilton, A.S, Forbes, D.L, Ellis, H.R, Lamb, A.L. | Deposit date: | 2019-08-26 | Release date: | 2020-07-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The 3-His Metal Coordination Site Promotes the Coupling of Oxygen Activation to Cysteine Oxidation in Cysteine Dioxygenase. Biochemistry, 59, 2020
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6ZST
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![BU of 6zst by Molmil](/molmil-images/mine/6zst) | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 3-(3-methoxyquinoxalin-2-yl)propanoic acid | Descriptor: | 3-(3-methoxyquinoxalin-2-yl)propanoic acid, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | Deposit date: | 2020-07-16 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments. Acs Infect Dis., 7, 2021
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6ZP3
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![BU of 6zp3 by Molmil](/molmil-images/mine/6zp3) | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 2-Methylindole-3-acetic acid | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(2-methyl-1~{H}-indol-3-yl)ethanoic acid, CALCIUM ION, ... | Authors: | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | Deposit date: | 2020-07-08 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments. Acs Infect Dis., 7, 2021
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6ZLP
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![BU of 6zlp by Molmil](/molmil-images/mine/6zlp) | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 4-Aminopiazthiole | Descriptor: | 2,1,3-benzothiadiazol-4-amine, CALCIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | Deposit date: | 2020-06-30 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments. Acs Infect Dis., 7, 2021
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1DG4
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![BU of 1dg4 by Molmil](/molmil-images/mine/1dg4) | NMR STRUCTURE OF THE SUBSTRATE BINDING DOMAIN OF DNAK IN THE APO FORM | Descriptor: | DNAK | Authors: | Pellecchia, M, Montgomery, D.L, Stevens, S.Y, Van der Kooi, C.W, Feng, H, Gierasch, L.M, Zuiderweg, E.R.P. | Deposit date: | 1999-11-23 | Release date: | 1999-12-08 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural insights into substrate binding by the molecular chaperone DnaK. Nat.Struct.Biol., 7, 2000
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1AMO
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![BU of 1amo by Molmil](/molmil-images/mine/1amo) | THREE-DIMENSIONAL STRUCTURE OF NADPH-CYTOCHROME P450 REDUCTASE: PROTOTYPE FOR FMN-AND FAD-CONTAINING ENZYMES | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Wang, M, Roberts, D.L, Paschke, R, Shea, T.M, Masters, B.S.S, Kim, J.J.P. | Deposit date: | 1997-06-17 | Release date: | 1998-06-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Three-dimensional structure of NADPH-cytochrome P450 reductase: prototype for FMN- and FAD-containing enzymes. Proc.Natl.Acad.Sci.USA, 94, 1997
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1DO8
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![BU of 1do8 by Molmil](/molmil-images/mine/1do8) | CRYSTAL STRUCTURE OF A CLOSED FORM OF HUMAN MITOCHONDRIAL NAD(P)+-DEPENDENT MALIC ENZYME | Descriptor: | MALIC ENZYME, MANGANESE (II) ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Yang, Z, Floyd, D.L, Loeber, G, Tong, L. | Deposit date: | 1999-12-19 | Release date: | 2000-03-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of a closed form of human malic enzyme and implications for catalytic mechanism. Nat.Struct.Biol., 7, 2000
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1DOD
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![BU of 1dod by Molmil](/molmil-images/mine/1dod) | THE MOBIL FLAVIN OF 4-OH BENZOATE HYDROXYLASE: MOTION OF A PROSTHETIC GROUP REGULATES CATALYSIS | Descriptor: | 2,4-DIHYDROXYBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE | Authors: | Gatti, D.L, Palfey, B.A, Lah, M.S, Entsch, B, Massey, V, Ballou, D.P, Ludwig, M.L. | Deposit date: | 1994-09-06 | Release date: | 1994-11-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The mobile flavin of 4-OH benzoate hydroxylase. Science, 266, 1994
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1DOC
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![BU of 1doc by Molmil](/molmil-images/mine/1doc) | THE MOBIL FLAVIN OF 4-OH BENZOATE HYDROXYLASE: MOTION OF A PROSTHETIC GROUP REGULATES CATALYSIS | Descriptor: | BROMIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, ... | Authors: | Gatti, D.L, Palfey, B.A, Lah, M.S, Entsch, B, Massey, V, Ballou, D.P, Ludwig, M.L. | Deposit date: | 1994-09-06 | Release date: | 1994-11-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The mobile flavin of 4-OH benzoate hydroxylase. Science, 266, 1994
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1DOE
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![BU of 1doe by Molmil](/molmil-images/mine/1doe) | THE MOBIL FLAVIN OF 4-OH BENZOATE HYDROXYLASE: MOTION OF A PROSTHETIC GROUP REGULATES CATALYSIS | Descriptor: | 2,4-DIHYDROXYBENZOIC ACID, BROMIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Gatti, D.L, Palfey, B.A, Lah, M.S, Entsch, B, Massey, V, Ballou, D.P, Ludwig, M.L. | Deposit date: | 1994-09-06 | Release date: | 1994-11-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The mobile flavin of 4-OH benzoate hydroxylase. Science, 266, 1994
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