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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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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3V0C
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![BU of 3v0c by Molmil](/molmil-images/mine/3v0c) | 4.3 angstrom crystal structure of an inactive BoNT/A (E224Q/R363A/Y366F) | Descriptor: | BoNT/A, ZINC ION | Authors: | Gu, S, Rumpel, S, Zhou, J, Strotmeier, J, Bigalke, H, Perry, K, Shoemaker, C.B, Rummel, A, Jin, R. | Deposit date: | 2011-12-07 | Release date: | 2012-03-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (4.3 Å) | Cite: | Botulinum neurotoxin is shielded by NTNHA in an interlocked complex. Science, 335, 2012
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3V0A
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![BU of 3v0a by Molmil](/molmil-images/mine/3v0a) | 2.7 angstrom crystal structure of BoNT/Ai in complex with NTNHA | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BoNT/A, CALCIUM ION, ... | Authors: | Gu, S, Rumpel, S, Zhou, J, Strotmeier, J, Bigalke, H, Perry, K, Shoemaker, C.B, Rummel, A, Jin, R. | Deposit date: | 2011-12-07 | Release date: | 2012-03-14 | Method: | X-RAY DIFFRACTION (2.703 Å) | Cite: | Botulinum neurotoxin is shielded by NTNHA in an interlocked complex. Science, 335, 2012
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3V0B
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![BU of 3v0b by Molmil](/molmil-images/mine/3v0b) | 3.9 angstrom crystal structure of BoNT/Ai in complex with NTNHA | Descriptor: | BoNT/A, CALCIUM ION, NTNH, ... | Authors: | Gu, S, Rumpel, S, Zhou, J, Strotmeier, J, Bigalke, H, Perry, K, Shoemaker, C.B, Rummel, A, Jin, R. | Deposit date: | 2011-12-07 | Release date: | 2012-03-14 | Last modified: | 2013-09-25 | Method: | X-RAY DIFFRACTION (3.9 Å) | Cite: | Botulinum neurotoxin is shielded by NTNHA in an interlocked complex. Science, 335, 2012
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4LO3
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![BU of 4lo3 by Molmil](/molmil-images/mine/4lo3) | HA17-HA33-LacNac | Descriptor: | HA-17, HA-33, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose | Authors: | Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R. | Deposit date: | 2013-07-12 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.249 Å) | Cite: | Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity. Plos Pathog., 9, 2013
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4LO0
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![BU of 4lo0 by Molmil](/molmil-images/mine/4lo0) | Apo HA17-HA33 | Descriptor: | HA-17, HA-33 | Authors: | Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R. | Deposit date: | 2013-07-12 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.055 Å) | Cite: | Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity. Plos Pathog., 9, 2013
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4LO2
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![BU of 4lo2 by Molmil](/molmil-images/mine/4lo2) | HA17-HA33-Lac | Descriptor: | HA-17, HA-33, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R. | Deposit date: | 2013-07-12 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.254 Å) | Cite: | Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity. Plos Pathog., 9, 2013
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4LO4
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![BU of 4lo4 by Molmil](/molmil-images/mine/4lo4) | Apo HA-70 | Descriptor: | CHLORIDE ION, HA-70 | Authors: | Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R. | Deposit date: | 2013-07-12 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.871 Å) | Cite: | Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity. Plos Pathog., 9, 2013
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4LO1
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![BU of 4lo1 by Molmil](/molmil-images/mine/4lo1) | HA17-HA33-Gal | Descriptor: | HA-17, HA-33, beta-D-galactopyranose | Authors: | Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R. | Deposit date: | 2013-07-12 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.254 Å) | Cite: | Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity. Plos Pathog., 9, 2013
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4LO5
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![BU of 4lo5 by Molmil](/molmil-images/mine/4lo5) | HA70-alpha2,3-SiaLC | Descriptor: | CHLORIDE ION, HA-70, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R. | Deposit date: | 2013-07-12 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity. Plos Pathog., 9, 2013
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4LO7
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![BU of 4lo7 by Molmil](/molmil-images/mine/4lo7) | HA70(D3)-HA17-HA33 | Descriptor: | HA-17, HA-33, HA-70 | Authors: | Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R. | Deposit date: | 2013-07-12 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.73 Å) | Cite: | Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity. Plos Pathog., 9, 2013
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4LO6
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![BU of 4lo6 by Molmil](/molmil-images/mine/4lo6) | HA70-alpha2,6-SiaLC | Descriptor: | CHLORIDE ION, HA-70, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose | Authors: | Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R. | Deposit date: | 2013-07-12 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity. Plos Pathog., 9, 2013
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4LO8
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![BU of 4lo8 by Molmil](/molmil-images/mine/4lo8) | HA70(D3)-HA17 | Descriptor: | HA-17, HA-70 | Authors: | Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R. | Deposit date: | 2013-07-12 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity. Plos Pathog., 9, 2013
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3MWL
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![BU of 3mwl by Molmil](/molmil-images/mine/3mwl) | Q28E mutant of HERA N-terminal RecA-like domain in complex with 8-OXOADENOSINE | Descriptor: | 6-azanyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purin-8-one, Heat resistant RNA dependent ATPase, SULFATE ION | Authors: | Rudolph, M.G, Klostermeier, D. | Deposit date: | 2010-05-06 | Release date: | 2011-03-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Changing nucleotide specificity of the DEAD-box helicase Hera abrogates communication between the Q-motif and the P-loop. Biol.Chem., 392, 2011
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3MWK
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![BU of 3mwk by Molmil](/molmil-images/mine/3mwk) | Q28E mutant of HERA N-terminal RecA-like domain, complex with 8-oxo-AMP | Descriptor: | Heat resistant RNA dependent ATPase, SULFATE ION, [(2R,3S,4R,5R)-5-(6-azanyl-8-oxo-7H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate | Authors: | Rudolph, M.G, Klostermeier, D. | Deposit date: | 2010-05-06 | Release date: | 2011-03-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Changing nucleotide specificity of the DEAD-box helicase Hera abrogates communication between the Q-motif and the P-loop. Biol.Chem., 392, 2011
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3MWJ
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![BU of 3mwj by Molmil](/molmil-images/mine/3mwj) | |
3NBF
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![BU of 3nbf by Molmil](/molmil-images/mine/3nbf) | Q28E mutant of hera helicase N-terminal domain bound to 8-oxo-ADP | Descriptor: | Heat resistant RNA dependent ATPase, [(2R,3S,4R,5R)-5-(6-azanyl-8-oxo-7H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate, [(2R,3S,4R,5R)-5-(6-azanyl-8-oxo-7H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate | Authors: | Rudolph, M.G, Klostermeier, D. | Deposit date: | 2010-06-03 | Release date: | 2011-03-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Changing nucleotide specificity of the DEAD-box helicase Hera abrogates communication between the Q-motif and the P-loop. Biol.Chem., 392, 2011
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3NEJ
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![BU of 3nej by Molmil](/molmil-images/mine/3nej) | |
3OBR
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![BU of 3obr by Molmil](/molmil-images/mine/3obr) | |
3OBT
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![BU of 3obt by Molmil](/molmil-images/mine/3obt) | |
6WFN
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![BU of 6wfn by Molmil](/molmil-images/mine/6wfn) | Crystal structure of human Naa50 in complex with AcCoA and an inhibitor (compound 4a) identified using DNA encoded library technology | Descriptor: | (4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, ACETYL COENZYME *A, N-alpha-acetyltransferase 50 | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | Deposit date: | 2020-04-03 | Release date: | 2020-07-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library. Acs Med.Chem.Lett., 11, 2020
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