8QMM
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![BU of 8qmm by Molmil](/molmil-images/mine/8qmm) | M291I variant of the [FeFe]-hydrogenase maturase HydE from Thermotoga maritima | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, IRON/SULFUR CLUSTER, ... | Authors: | Omeiri, J, Martin, L, Usclat, A, Cherrier, M.V, Nicolet, Y. | Deposit date: | 2023-09-23 | Release date: | 2023-11-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Maturation of the [FeFe]-Hydrogenase: Direct Transfer of the ( kappa 3 -cysteinate)Fe II (CN)(CO) 2 Complex B from HydG to HydE. Angew.Chem.Int.Ed.Engl., 62, 2023
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8QMN
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![BU of 8qmn by Molmil](/molmil-images/mine/8qmn) | [FeFe]-hydrogenase maturase HydE from T. maritima - dialysis experiment - empty structure | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, IRON/SULFUR CLUSTER, ... | Authors: | Omeiri, J, Martin, L, Usclat, A, Cherrier, M.V, Nicolet, Y. | Deposit date: | 2023-09-23 | Release date: | 2023-11-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Maturation of the [FeFe]-Hydrogenase: Direct Transfer of the ( kappa 3 -cysteinate)Fe II (CN)(CO) 2 Complex B from HydG to HydE. Angew.Chem.Int.Ed.Engl., 62, 2023
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8QMK
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![BU of 8qmk by Molmil](/molmil-images/mine/8qmk) | Enzymatically-produced complex-B bound TmHydE structure | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CARBON MONOXIDE, CHLORIDE ION, ... | Authors: | Omeiri, J, Martin, L, Usclat, A, Cherrier, M.V, Nicolet, Y. | Deposit date: | 2023-09-22 | Release date: | 2023-11-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Maturation of the [FeFe]-Hydrogenase: Direct Transfer of the ( kappa 3 -cysteinate)Fe II (CN)(CO) 2 Complex B from HydG to HydE. Angew.Chem.Int.Ed.Engl., 62, 2023
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8QML
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![BU of 8qml by Molmil](/molmil-images/mine/8qml) | (2R,4R)-MeTDA bound HydE structure (control experiment) | Descriptor: | (2R,4R)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ... | Authors: | Omeiri, J, Martin, L, Usclat, A, Cherrier, M.V, Nicolet, Y. | Deposit date: | 2023-09-22 | Release date: | 2023-11-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Maturation of the [FeFe]-Hydrogenase: Direct Transfer of the ( kappa 3 -cysteinate)Fe II (CN)(CO) 2 Complex B from HydG to HydE. Angew.Chem.Int.Ed.Engl., 62, 2023
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3R4S
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![BU of 3r4s by Molmil](/molmil-images/mine/3r4s) | Cell entry of botulinum neurotoxin type C is dependent upon interaction with two ganglioside molecules | Descriptor: | Botulinum neurotoxin type C1, N-acetyl-alpha-neuraminic acid, N-acetyl-beta-neuraminic acid | Authors: | Strotmeier, J, Gu, S, Jutzi, S, Mahrhold, S, Zhou, J, Pich, A, Bigalke, H, Rummel, A, Jin, R, Binz, T. | Deposit date: | 2011-03-17 | Release date: | 2011-06-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The biological activity of botulinum neurotoxin type C is dependent upon novel types of ganglioside binding sites. Mol.Microbiol., 81, 2011
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3R4U
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![BU of 3r4u by Molmil](/molmil-images/mine/3r4u) | Cell entry of botulinum neurotoxin type C is dependent upon interaction with two ganglioside molecules | Descriptor: | Botulinum neurotoxin type C1 | Authors: | Strotmeier, J, Gu, S, Jutzi, S, Mahrhold, S, Zhou, J, Pich, A, Bigalke, H, Rummel, A, Jin, R, Binz, T. | Deposit date: | 2011-03-17 | Release date: | 2011-06-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The biological activity of botulinum neurotoxin type C is dependent upon novel types of ganglioside binding sites. Mol.Microbiol., 81, 2011
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8AIJ
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![BU of 8aij by Molmil](/molmil-images/mine/8aij) | STRUCTURE OF THE LECB LECTIN FROM PSEUDOMONAS AERUGINOSA STRAIN PAO1 IN COMPLEX WITH N-(alpha-L-Fucopyranosyl)benzamide (6) | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Fucose-binding lectin PA-IIL, ... | Authors: | Meiers, J, Mala, P, Varrot, A, Siebs, E, Imberty, A, Titz, A. | Deposit date: | 2022-07-26 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of N -beta-l-Fucosyl Amides as High-Affinity Ligands for the Pseudomonas aeruginosa Lectin LecB. J.Med.Chem., 65, 2022
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8AIY
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![BU of 8aiy by Molmil](/molmil-images/mine/8aiy) | STRUCTURE OF THE LECB LECTIN FROM PSEUDOMONAS AERUGINOSA STRAIN PAO1 IN COMPLEX WITH N-(beta-L-Fucopyranosyl)-biphenyl-3-carboxamide (4i) | Descriptor: | CALCIUM ION, Fucose-binding lectin PA-IIL, N-(beta-L-Fucopyranosyl)-biphenyl-3-carboxamide, ... | Authors: | Meiers, J, Mala, P, Varrot, A, Siebs, E, Imberty, A, Titz, A. | Deposit date: | 2022-07-27 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of N -beta-l-Fucosyl Amides as High-Affinity Ligands for the Pseudomonas aeruginosa Lectin LecB. J.Med.Chem., 65, 2022
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3UZ0
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![BU of 3uz0 by Molmil](/molmil-images/mine/3uz0) | |
2GZO
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![BU of 2gzo by Molmil](/molmil-images/mine/2gzo) | NMR structure of UPF0301 PROTEIN SO3346 from Shewanella oneidensis: Northeast Structural Genomics Consortium target SOR39 | Descriptor: | UPF0301 protein SO3346 | Authors: | Singarapu, K.K, Liu, G, Eletsky, A, Xu, D, Sukumaran, D.K, Mei, J, Xiao, R, Cunningham, K, Ma, L.C, Ritu, S, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-05-11 | Release date: | 2006-06-20 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | NMR structure of UPF0301 PROTEIN SO3346 from Shewanella oneidensis: Northeast Structural Genomics Consortium target SOR39 To be Published
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7ZAY
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![BU of 7zay by Molmil](/molmil-images/mine/7zay) | Human heparan sulfate polymerase complex EXT1-EXT2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Exostosin-1, Exostosin-2, ... | Authors: | Leisico, F, Omeiri, J, Hons, M, Schoehn, G, Lortat-Jacob, H, Wild, R. | Deposit date: | 2022-03-23 | Release date: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structure of the human heparan sulfate polymerase complex EXT1-EXT2. Nat Commun, 13, 2022
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6MIE
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![BU of 6mie by Molmil](/molmil-images/mine/6mie) | Solution NMR structure of the KCNQ1 voltage-sensing domain | Descriptor: | Potassium voltage-gated channel subfamily KQT member 1 | Authors: | Taylor, K.C, Kuenze, G, Smith, J.A, Meiler, J, McFeeters, R.L, Sanders, C.R. | Deposit date: | 2018-09-19 | Release date: | 2020-03-04 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure and physiological function of the human KCNQ1 channel voltage sensor intermediate state. Elife, 9, 2020
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5N49
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![BU of 5n49 by Molmil](/molmil-images/mine/5n49) | BRPF2 in complex with Compound 7 | Descriptor: | 2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione, Bromodomain-containing protein 1 | Authors: | Bouche, L, Christ, C.D, Siegel, S, Fernandez-Montalvan, A.E, Holton, S.J, Fedorov, O, ter Laak, A, Sugawara, T, Stoeckigt, D, Tallant, C, Bennett, J, Monteiro, O, Saez, L.D, Siejka, P, Meier, J, Puetter, V, Weiske, J, Mueller, S, Huber, K.V.M, Hartung, I.V, Haendler, B. | Deposit date: | 2017-02-10 | Release date: | 2017-05-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains. J. Med. Chem., 60, 2017
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5KDO
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![BU of 5kdo by Molmil](/molmil-images/mine/5kdo) | Heterotrimeric complex of the 4 alanine insertion variant of the Gi alpha1 subunit and the Gbeta1-Ggamma1 | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(T) subunit gamma-T1, ... | Authors: | Kaya, A.I, Lokits, A.D, Gilbert, J, Iverson, T.M, Meiler, J, Hamm, H.E. | Deposit date: | 2016-06-08 | Release date: | 2016-08-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Conserved Hydrophobic Core in G alpha i1 Regulates G Protein Activation and Release from Activated Receptor. J.Biol.Chem., 291, 2016
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5KDL
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![BU of 5kdl by Molmil](/molmil-images/mine/5kdl) | Crystal structure of the 4 alanine insertion variant of the Gi alpha1 subunit bound to GTPgammaS | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, MAGNESIUM ION | Authors: | Kaya, A.I, Lokits, A.D, Gilbert, J, Iverson, T.M, Meiler, J, Hamm, H.E. | Deposit date: | 2016-06-08 | Release date: | 2016-08-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.665 Å) | Cite: | A Conserved Hydrophobic Core in G alpha i1 Regulates G Protein Activation and Release from Activated Receptor. J.Biol.Chem., 291, 2016
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4KN6
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![BU of 4kn6 by Molmil](/molmil-images/mine/4kn6) | Crystal structure of human hypoxanthine-guanine phosphoribosyltransferase in complex with 6-fluoro-3-hydroxy-2-pyrazinecarboxamide (T-705) ribose-5'-monophosphate | Descriptor: | 6-fluoro-3-oxo-4-(5-O-phosphono-beta-D-ribofuranosyl)-3,4-dihydropyrazine-2-carboxamide, Hypoxanthine-guanine phosphoribosyltransferase | Authors: | Naesens, L, Guddat, L, Keough, D, van Kuilenburg, A.B.P, Meijer, J, Vande Voorde, J, Balzarini, J. | Deposit date: | 2013-05-08 | Release date: | 2013-08-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.728 Å) | Cite: | Role of human hypoxanthine Guanine phosphoribosyltransferase in activation of the antiviral agent T-705 (favipiravir). Mol.Pharmacol., 84, 2013
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6F27
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![BU of 6f27 by Molmil](/molmil-images/mine/6f27) | NMR solution structure of non-bound [des-Arg10]-kallidin (DAKD) | Descriptor: | DAKD | Authors: | Richter, C, Jonker, H.R.A, Schwalbe, H, Joedicke, L, Mao, J, Kuenze, G, Reinhart, C, Kalavacherla, T, Meiler, J, Preu, J, Michel, H, Glaubitz, C. | Deposit date: | 2017-11-23 | Release date: | 2018-01-10 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors. Nat. Chem. Biol., 14, 2018
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6F3V
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![BU of 6f3v by Molmil](/molmil-images/mine/6f3v) | Backbone structure of bradykinin (BK) peptide bound to human Bradykinin 2 Receptor (B2R) determined by MAS SSNMR | Descriptor: | Bradykinin (BK) | Authors: | Mao, J, Lopez, J.J, Shukla, A.K, Kuenze, G, Meiler, J, Schwalbe, H, Michel, H, Glaubitz, C. | Deposit date: | 2017-11-29 | Release date: | 2018-01-10 | Last modified: | 2024-06-19 | Method: | SOLID-STATE NMR | Cite: | The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors. Nat. Chem. Biol., 14, 2018
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6F3Y
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![BU of 6f3y by Molmil](/molmil-images/mine/6f3y) | Backbone structure of Des-Arg10-Kallidin (DAKD) peptide bound to human Bradykinin 1 Receptor (B1R) determined by DNP-enhanced MAS SSNMR | Descriptor: | Kininogen-1 | Authors: | Mao, J, Kuenze, G, Joedicke, L, Meiler, J, Michel, H, Glaubitz, C. | Deposit date: | 2017-11-29 | Release date: | 2018-01-10 | Last modified: | 2024-06-19 | Method: | SOLID-STATE NMR | Cite: | The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors. Nat. Chem. Biol., 14, 2018
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6F3W
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![BU of 6f3w by Molmil](/molmil-images/mine/6f3w) | Backbone structure of free bradykinin (BK) in DDM/CHS detergent micelle determined by MAS SSNMR | Descriptor: | Kininogen-1 | Authors: | Mao, J, Lopez, J.J, Shukla, A.K, Kuenze, G, Meiler, J, Schwalbe, H, Michel, H, Glaubitz, C. | Deposit date: | 2017-11-29 | Release date: | 2018-01-10 | Last modified: | 2024-06-19 | Method: | SOLID-STATE NMR | Cite: | The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors. Nat. Chem. Biol., 14, 2018
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6F3X
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![BU of 6f3x by Molmil](/molmil-images/mine/6f3x) | Backbone structure of Des-Arg10-Kallidin (DAKD) peptide in frozen DDM/CHS detergent micelle solution determined by DNP-enhanced MAS SSNMR | Descriptor: | Kininogen-1 | Authors: | Mao, J, Kuenze, G, Joedicke, L, Meiler, J, Michel, H, Glaubitz, C. | Deposit date: | 2017-11-29 | Release date: | 2018-01-10 | Last modified: | 2024-06-19 | Method: | SOLID-STATE NMR | Cite: | The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors. Nat. Chem. Biol., 14, 2018
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6UKK
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![BU of 6ukk by Molmil](/molmil-images/mine/6ukk) | |
6V4R
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![BU of 6v4r by Molmil](/molmil-images/mine/6v4r) | |
6V4Q
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![BU of 6v4q by Molmil](/molmil-images/mine/6v4q) | Crystal structure of a MR78-like antibody naive-1 Fab | Descriptor: | GLYCEROL, ISOPROPYL ALCOHOL, Naive-1 Fab heavy chain, ... | Authors: | Bozhanova, N.G, Crowe, J.E, Meiler, J. | Deposit date: | 2019-11-28 | Release date: | 2020-11-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Discovery of Marburg virus neutralizing antibodies from virus-naive human antibody repertoires using large-scale structural predictions. Proc.Natl.Acad.Sci.USA, 117, 2020
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6VRI
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![BU of 6vri by Molmil](/molmil-images/mine/6vri) | Crystal Structure of the wtBlc-split Protein | Descriptor: | Outer membrane lipoprotein Blc, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Bozhanova, N.G, Meiler, J. | Deposit date: | 2020-02-07 | Release date: | 2020-12-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Lipocalin Blc is a potential heme-binding protein. Febs Lett., 595, 2021
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