2ARD
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![BU of 2ard by Molmil](/molmil-images/mine/2ard) | The structure of tryptophan 7-halogenase (PrnA) suggests a mechanism for regioselective chlorination | Descriptor: | DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, tryptophan halogenase PrnA | Authors: | Dong, C, Flecks, S, Unversucht, S, Haupt, C, Van Pee, K.H, Naismith, J.H, Scottish Structural Proteomics Facility (SSPF) | Deposit date: | 2005-08-19 | Release date: | 2005-10-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Tryptophan 7-halogenase (PrnA) structure suggests a mechanism for regioselective chlorination. Science, 309, 2005
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6TFT
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6TFR
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![BU of 6tfr by Molmil](/molmil-images/mine/6tfr) | Linalool Dehydratase Isomerase C180A mutant | Descriptor: | 1,2-ETHANEDIOL, Linalool dehydratase-isomerase protein LDI | Authors: | Cuetos, A, Zukic, E, Danesh-Azari, H.R, Grogan, G. | Deposit date: | 2019-11-14 | Release date: | 2020-10-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Mutational Analysis of Linalool Dehydratase Isomerase Suggests That Alcohol and Alkene Transformations Are Catalyzed Using Noncovalent Mechanisms Acs Catalysis, 2020
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4GYJ
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6WHS
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![BU of 6whs by Molmil](/molmil-images/mine/6whs) | GluN1b-GluN2B NMDA receptor in non-active 1 conformation at 3.95 angstrom resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ... | Authors: | Chou, T, Tajima, N, Furukawa, H. | Deposit date: | 2020-04-08 | Release date: | 2020-08-05 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural Basis of Functional Transitions in Mammalian NMDA Receptors. Cell, 182, 2020
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6WHV
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![BU of 6whv by Molmil](/molmil-images/mine/6whv) | GluN1b-GluN2B NMDA receptor in complex with SDZ 220-040 and L689,560, class 2 | Descriptor: | (2R,4S)-5,7-dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid, (2S)-2-amino-3-[2',4'-dichloro-4-hydroxy-5-(phosphonomethyl)biphenyl-3-yl]propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Chou, T, Tajima, N, Furukawa, H. | Deposit date: | 2020-04-08 | Release date: | 2020-08-05 | Method: | ELECTRON MICROSCOPY (4.05 Å) | Cite: | Structural Basis of Functional Transitions in Mammalian NMDA Receptors. Cell, 182, 2020
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5OMF
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![BU of 5omf by Molmil](/molmil-images/mine/5omf) | Closed, ternary structure of KOD DNA polymerase | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*CP*AP*C)-3'), ... | Authors: | Kropp, H.M, Betz, K, Wirth, J, Diederichs, K, Marx, A. | Deposit date: | 2017-07-31 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.092 Å) | Cite: | Crystal structures of ternary complexes of archaeal B-family DNA polymerases. PLoS ONE, 12, 2017
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6WI1
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![BU of 6wi1 by Molmil](/molmil-images/mine/6wi1) | GluN1b-GluN2B NMDA receptor in active conformation stabilized by inter-GluN1b-GluN2B subunit cross-linking | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ionotropic glutamate receptor , ... | Authors: | Chou, T, Tajima, N, Furukawa, H. | Deposit date: | 2020-04-08 | Release date: | 2020-07-15 | Last modified: | 2020-08-05 | Method: | ELECTRON MICROSCOPY (3.62 Å) | Cite: | Structural Basis of Functional Transitions in Mammalian NMDA Receptors. Cell, 182, 2020
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6WHR
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![BU of 6whr by Molmil](/molmil-images/mine/6whr) | GluN1b-GluN2B NMDA receptor in non-active 2 conformation at 4 angstrom resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ... | Authors: | Chou, T, Tajima, N, Furukawa, H. | Deposit date: | 2020-04-08 | Release date: | 2020-08-05 | Method: | ELECTRON MICROSCOPY (3.99 Å) | Cite: | Structural Basis of Functional Transitions in Mammalian NMDA Receptors. Cell, 182, 2020
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6GK0
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![BU of 6gk0 by Molmil](/molmil-images/mine/6gk0) | HUMAN DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH CLASS III HISTONE DEACETYLASE INHIBITOR | Descriptor: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 4-~{tert}-butyl-~{N}-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]benzamide, ACETIC ACID, ... | Authors: | Hakansson, M, Ladds, M.J.G.W, Walse, B, Lain, S. | Deposit date: | 2018-05-17 | Release date: | 2019-11-27 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Exploitation of dihydroorotate dehydrogenase (DHODH) and p53 activation as therapeutic targets: A case study in polypharmacology. J.Biol.Chem., 295, 2020
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6WI0
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![BU of 6wi0 by Molmil](/molmil-images/mine/6wi0) | GluN1b-GluN2B NMDA receptor in complex with GluN1 antagonist L689,560, class 2 | Descriptor: | (2R,4S)-5,7-dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Chou, T, Tajima, N, Furukawa, H. | Deposit date: | 2020-04-08 | Release date: | 2020-07-15 | Last modified: | 2020-08-05 | Method: | ELECTRON MICROSCOPY (4.27 Å) | Cite: | Structural Basis of Functional Transitions in Mammalian NMDA Receptors. Cell, 182, 2020
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6WHT
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![BU of 6wht by Molmil](/molmil-images/mine/6wht) | GluN1b-GluN2B NMDA receptor in active conformation at 4.4 angstrom resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ... | Authors: | Chou, T, Tajima, N, Furukawa, H. | Deposit date: | 2020-04-08 | Release date: | 2020-08-05 | Method: | ELECTRON MICROSCOPY (4.39 Å) | Cite: | Structural Basis of Functional Transitions in Mammalian NMDA Receptors. Cell, 182, 2020
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2APG
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![BU of 2apg by Molmil](/molmil-images/mine/2apg) | The structure of tryptophan 7-halogenase (PrnA)suggests a mechanism for regioselective chlorination | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ... | Authors: | Dong, C, Flecks, S, Unversucht, S, Haupt, C, Van Pee, K.H, Naismith, J.H, Scottish Structural Proteomics Facility (SSPF) | Deposit date: | 2005-08-16 | Release date: | 2005-10-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Tryptophan 7-halogenase (PrnA) structure suggests a mechanism for regioselective chlorination. Science, 309, 2005
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1UDR
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4GYK
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6UUO
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![BU of 6uuo by Molmil](/molmil-images/mine/6uuo) | Crystal structure of BRAF kinase domain bound to the PROTAC P4B | Descriptor: | N-(3-{5-[(1-acetylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | Authors: | Maisonneuve, P, Posternak, G, Kurinov, I, Sicheri, F. | Deposit date: | 2019-10-30 | Release date: | 2020-06-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.288 Å) | Cite: | Functional characterization of a PROTAC directed against BRAF mutant V600E. Nat.Chem.Biol., 16, 2020
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3QLQ
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![BU of 3qlq by Molmil](/molmil-images/mine/3qlq) | Crystal structure of Concanavalin A bound to an octa-alpha-mannosyl-octasilsesquioxane cluster | Descriptor: | CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ... | Authors: | Sundberg, E.J, Bonsor, D.A, Trastoy, B, Chiara, J.L. | Deposit date: | 2011-02-03 | Release date: | 2012-02-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Synthesis and Biophysical Study of Disassembling Nano hybrid Bioconjugates with a Cubic Octasilsesquioxane Core Adv Funct Mater, 22, 2012
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3QIX
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![BU of 3qix by Molmil](/molmil-images/mine/3qix) | Crystal Structure of BoNT/A LC with Zinc bound | Descriptor: | 1,2-ETHANEDIOL, Botulinum neurotoxin type A, ZINC ION | Authors: | Thompson, A.A, Han, G.W, Stevens, R.C. | Deposit date: | 2011-01-28 | Release date: | 2011-04-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.413 Å) | Cite: | Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility. Biochemistry, 50, 2011
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4P18
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![BU of 4p18 by Molmil](/molmil-images/mine/4p18) | Crystal Structure of frog M ferritin mutant D80K | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Ghini, V, Turano, P. | Deposit date: | 2014-02-25 | Release date: | 2014-10-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Loop electrostatics modulates the intersubunit interactions in ferritin. Acs Chem.Biol., 9, 2014
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3QIY
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![BU of 3qiy by Molmil](/molmil-images/mine/3qiy) | Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-1 | Descriptor: | 1,2-ETHANEDIOL, 4-[bis(4-chlorobenzyl)amino]-N-hydroxybutanamide, Botulinum neurotoxin type A, ... | Authors: | Thompson, A.A, Han, G.W, Stevens, R.C. | Deposit date: | 2011-01-28 | Release date: | 2011-04-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility. Biochemistry, 50, 2011
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7F3V
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![BU of 7f3v by Molmil](/molmil-images/mine/7f3v) | Crystal structure of YfiH with C107A mutation in complex with endogenous UDP-MurNAc | Descriptor: | (2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, ... | Authors: | Lee, M.S, Hsieh, K.Y, Chang, C.I. | Deposit date: | 2021-06-17 | Release date: | 2021-12-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Structural Basis for the Peptidoglycan-Editing Activity of YfiH. Mbio, 13, 2021
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4JIE
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![BU of 4jie by Molmil](/molmil-images/mine/4jie) | Structural analysis and insights into glycon specificity of the rice GH1 Os7BGlu26 beta-D-mannosidase | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-mannosidase/beta-glucosidase, GLYCEROL, ... | Authors: | Tankrathok, A, Luang, S, Robinson, R.C, Kimura, A, Hrmova, M, Ketudat Cairns, J.R. | Deposit date: | 2013-03-05 | Release date: | 2013-10-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural analysis and insights into the glycon specificity of the rice GH1 Os7BGlu26 beta-D-mannosidase Acta Crystallogr.,Sect.D, 69, 2013
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3QJ0
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![BU of 3qj0 by Molmil](/molmil-images/mine/3qj0) | Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-3 | Descriptor: | (4R)-4-(4-chlorophenoxy)-1-[(4-chlorophenyl)sulfonyl]-N-hydroxy-L-prolinamide, 1,2-ETHANEDIOL, Botulinum neurotoxin type A, ... | Authors: | Thompson, A.A, Han, G.W, Stevens, R.C. | Deposit date: | 2011-01-28 | Release date: | 2011-04-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility. Biochemistry, 50, 2011
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3QIZ
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![BU of 3qiz by Molmil](/molmil-images/mine/3qiz) | Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-2 | Descriptor: | (2S,4R)-2-(2-{[3-(4-fluoro-3-methylphenyl)propyl](methyl)amino}ethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide, Botulinum neurotoxin type A, DI(HYDROXYETHYL)ETHER, ... | Authors: | Thompson, A.A, Han, G.W, Stevens, R.C. | Deposit date: | 2011-01-28 | Release date: | 2011-04-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility. Biochemistry, 50, 2011
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3VVA
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![BU of 3vva by Molmil](/molmil-images/mine/3vva) | Crystal structure of cyanide-insensitive alternative oxidase from Trypanosoma brucei with ascofuranone derivative | Descriptor: | 3-chloro-4,6-dihydroxy-5-[(2E,6E,8S)-8-hydroxy-3,7-dimethylnona-2,6-dien-1-yl]-2-methylbenzaldehyde, Alternative oxidase, mitochondrial, ... | Authors: | Shiba, T, Kido, Y, Sakamoto, K, Inaoka, D.K, Tsuge, C, Tatsumi, R, Balogun, E.O, Nara, T, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Saimoto, H, Moore, A.L, Harada, S, Kita, K. | Deposit date: | 2012-07-17 | Release date: | 2013-03-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Structure of the trypanosome cyanide-insensitive alternative oxidase Proc.Natl.Acad.Sci.USA, 110, 2013
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