1DYM
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![BU of 1dym by Molmil](/molmil-images/mine/1dym) | Humicola insolens Endocellulase Cel7B (EG 1) E197A Mutant | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENDOGLUCANASE I | Authors: | Davies, G.J, Moraz, O, Driguez, H, Schulein, M. | Deposit date: | 2000-02-03 | Release date: | 2000-02-04 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of the family 7 endoglucanase I (Cel7B) from Humicola insolens at 2.2 A resolution and identification of the catalytic nucleophile by trapping of the covalent glycosyl-enzyme intermediate. Biochem.J., 335 ( Pt 2), 1998
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5T90
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![BU of 5t90 by Molmil](/molmil-images/mine/5t90) | Structural mechanisms for alpha-conotoxin selectivity at the human alpha3beta4 nicotinic acetylcholine receptor | Descriptor: | Acetylcholine-binding protein, LsIA | Authors: | Abraham, N, Healy, M, Ragnarsson, L, Brust, A, Alewood, P, Lewis, R. | Deposit date: | 2016-09-08 | Release date: | 2017-04-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural mechanisms for alpha-conotoxin activity at the human alpha 3 beta 4 nicotinic acetylcholine receptor. Sci Rep, 7, 2017
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8QFZ
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![BU of 8qfz by Molmil](/molmil-images/mine/8qfz) | TSLP-Bicycle complex | Descriptor: | 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, CYS-HIS-TRP-LEU-GLU-ASN-CYS-TRP-ARG-GLY-PHE-CYS, Thymic stromal lymphopoietin | Authors: | Petersen, J. | Deposit date: | 2023-09-05 | Release date: | 2024-02-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery and Characterization of a Bicyclic Peptide (Bicycle) Binder to Thymic Stromal Lymphopoietin. J.Med.Chem., 67, 2024
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4JID
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![BU of 4jid by Molmil](/molmil-images/mine/4jid) | Crystal structure of BaLdcB / VanY-like L,D-carboxypeptidase Zinc(II)-free | Descriptor: | CHLORIDE ION, D-alanyl-D-alanine carboxypeptidase family protein | Authors: | Minasov, G, Wawrzak, Z, Onopriyenko, O, Skarina, T, Shatsman, S, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-03-05 | Release date: | 2013-04-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the LdcB LD-Carboxypeptidase Reveals the Molecular Basis of Peptidoglycan Recognition. Structure, 22, 2014
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7Q96
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![BU of 7q96 by Molmil](/molmil-images/mine/7q96) | Keap1 compound complex | Descriptor: | 4-[(5S,8R)-5-(dimethylcarbamoyl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1 | Authors: | Johansson, P. | Deposit date: | 2021-11-12 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.415 Å) | Cite: | Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction. J.Med.Chem., 65, 2022
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7Q6S
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![BU of 7q6s by Molmil](/molmil-images/mine/7q6s) | Keap1 compound complex | Descriptor: | (5S,8R)-16-(2,1,3-benzoxadiazol-4-yl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-N,N-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide, CHLORIDE ION, Kelch-like ECH-associated protein 1 | Authors: | Johansson, P. | Deposit date: | 2021-11-09 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.143 Å) | Cite: | Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction. J.Med.Chem., 65, 2022
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7Q6Q
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![BU of 7q6q by Molmil](/molmil-images/mine/7q6q) | Keap1 compound complex | Descriptor: | (5S,8R)-N,N-dimethyl-8-[[(2S)-1-[4-(methylamino)-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide, CHLORIDE ION, Kelch-like ECH-associated protein 1, ... | Authors: | Johansson, P. | Deposit date: | 2021-11-09 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction. J.Med.Chem., 65, 2022
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7Q8R
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![BU of 7q8r by Molmil](/molmil-images/mine/7q8r) | Keap1 compound complex | Descriptor: | 3-[(5S,8R)-5-(dimethylcarbamoyl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1 | Authors: | Johansson, P. | Deposit date: | 2021-11-11 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.282 Å) | Cite: | Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction. J.Med.Chem., 65, 2022
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5DZ6
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![BU of 5dz6 by Molmil](/molmil-images/mine/5dz6) | Acyl transferase from Bacillaene PKS | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ... | Authors: | Till, M, Race, P.R. | Deposit date: | 2015-09-25 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Architectural hierarchy of trans-acting enoyl reductases from polyunsaturated fatty acid and trans-acyltransferase polyketide synthases To Be Published
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6CEI
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![BU of 6cei by Molmil](/molmil-images/mine/6cei) | |
6X8R
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![BU of 6x8r by Molmil](/molmil-images/mine/6x8r) | |
6CEG
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![BU of 6ceg by Molmil](/molmil-images/mine/6ceg) | |
2N7F
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![BU of 2n7f by Molmil](/molmil-images/mine/2n7f) | NMR solution structure of muO-conotoxin MfVIA | Descriptor: | muO-conotoxin MfVIA | Authors: | Schroeder, C.I, Mobli, M. | Deposit date: | 2015-09-09 | Release date: | 2016-04-06 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Development of a mu O-Conotoxin Analogue with Improved Lipid Membrane Interactions and Potency for the Analgesic Sodium Channel NaV1.8. J.Biol.Chem., 291, 2016
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2KRA
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![BU of 2kra by Molmil](/molmil-images/mine/2kra) | |
2KNP
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![BU of 2knp by Molmil](/molmil-images/mine/2knp) | |
2MT7
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![BU of 2mt7 by Molmil](/molmil-images/mine/2mt7) | |
2MPQ
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![BU of 2mpq by Molmil](/molmil-images/mine/2mpq) | |
2MXM
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![BU of 2mxm by Molmil](/molmil-images/mine/2mxm) | |
5T3M
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![BU of 5t3m by Molmil](/molmil-images/mine/5t3m) | |
5T4R
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![BU of 5t4r by Molmil](/molmil-images/mine/5t4r) | |
7N1Z
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![BU of 7n1z by Molmil](/molmil-images/mine/7n1z) | NMR structure of native PnIA | Descriptor: | Alpha-conotoxin PnIA | Authors: | Conibear, A.C, Rosengren, K.J, Lee, H.S. | Deposit date: | 2021-05-28 | Release date: | 2021-11-17 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding. Rsc Med Chem, 12, 2021
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7N24
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![BU of 7n24 by Molmil](/molmil-images/mine/7n24) | NMR structure of native EpI | Descriptor: | Alpha-conotoxin EpI | Authors: | Conibear, A.C, Rosengren, K.J, Lee, H.S. | Deposit date: | 2021-05-28 | Release date: | 2021-11-17 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding. Rsc Med Chem, 12, 2021
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7N25
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![BU of 7n25 by Molmil](/molmil-images/mine/7n25) | NMR structure of EpI-OH | Descriptor: | Alpha-conotoxin EpI-OH | Authors: | Conibear, A.C, Rosengren, K.J, Lee, H.S. | Deposit date: | 2021-05-28 | Release date: | 2021-11-17 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding. Rsc Med Chem, 12, 2021
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7N26
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![BU of 7n26 by Molmil](/molmil-images/mine/7n26) | NMR structure of EpI-[Y(SO3)15Y]-NH2 | Descriptor: | Alpha-conotoxin EpI | Authors: | Conibear, A.C, Rosengren, K.J, Lee, H.S. | Deposit date: | 2021-05-28 | Release date: | 2021-11-17 | Method: | SOLUTION NMR | Cite: | Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding. Rsc Med Chem, 12, 2021
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7N21
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![BU of 7n21 by Molmil](/molmil-images/mine/7n21) | NMR structure of AnIB-OH | Descriptor: | Alpha-conotoxin AnIB | Authors: | Conibear, A.C, Rosengren, K.J, Lee, H.S. | Deposit date: | 2021-05-28 | Release date: | 2021-11-17 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding. Rsc Med Chem, 12, 2021
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