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
 | | 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
 | | 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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2NDJ
 | | Structural Basis for KCNE3 and Estrogen Modulation of the KCNQ1 Channel | | Descriptor: | Potassium voltage-gated channel subfamily E member 3 | | Authors: | Sanders, C.R, Van Horn, W.D, Kroncke, B.M, Sisco, N.J, Meiler, J, Vanoye, C.G, Song, Y, Nannemann, D.P, Welch, R.C, Kang, C, Smith, J, George, A.L. | | Deposit date: | 2016-06-09 | | Release date: | 2016-09-21 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural basis for KCNE3 modulation of potassium recycling in epithelia.
Sci Adv, 2, 2016
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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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6BP2
 | | Therapeutic human monoclonal antibody MR191 bound to a marburgvirus glycoprotein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, Envelope glycoprotein GP2, ... | | Authors: | King, L.B, Fusco, M.L, Flyak, A.I, Ilinykh, P.A, Huang, K, Gunn, B, Kirchdoerfer, R.N, Hastie, K.M, Sangha, A.K, Meiler, J, Alter, G, Bukreyev, A, Crowe, J.E.J, Saphire, E.O. | | Deposit date: | 2017-11-21 | | Release date: | 2018-01-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.172 Å) | | Cite: | The Marburgvirus-Neutralizing Human Monoclonal Antibody MR191 Targets a Conserved Site to Block Virus Receptor Binding.
Cell Host Microbe, 23, 2018
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3TDN
 | | Computationally designed two-fold symmetric Tim-barrel protein, FLR | | Descriptor: | FLR SYMMETRIC ALPHA-BETA TIM BARREL | | Authors: | Harp, J.M, Fortenberry, C, Bowman, E, Profitt, W, Dorr, B, Mizoue, L, Meiler, J. | | Deposit date: | 2011-08-11 | | Release date: | 2011-11-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Exploring symmetry as an avenue to the computational design of large protein domains.
J.Am.Chem.Soc., 133, 2011
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7L5M
 | | Crystal Structure of the DiB-RM-split Protein | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lipocalin family protein, SODIUM ION, ... | | Authors: | Bozhanova, N.G, Harp, J.M, Meiler, J. | | Deposit date: | 2020-12-22 | | Release date: | 2021-10-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Computational redesign of a fluorogen activating protein with Rosetta.
Plos Comput.Biol., 17, 2021
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7L5L
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7L5K
 | | Crystal structure of the DiB-RM protein | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, ISOPROPYL ALCOHOL, Lipocalin family protein, ... | | Authors: | Bozhanova, N.G, Harp, J.M, Meiler, J. | | Deposit date: | 2020-12-22 | | Release date: | 2021-10-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Computational redesign of a fluorogen activating protein with Rosetta.
Plos Comput.Biol., 17, 2021
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7LG4
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6UKL
 | | Crystal Structure of a DiB2-split Protein | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Outer membrane lipoprotein Blc, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Bozhanova, N.G, Meiler, J. | | Deposit date: | 2019-10-05 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | DiB-splits: nature-guided design of a novel fluorescent labeling split system.
Sci Rep, 10, 2020
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6UKK
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6V4R
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5TQL
 | | Crystal structure of TIM-Barrel protein HisF-C9S | | Descriptor: | Imidazole glycerol phosphate synthase subunit HisF, PHOSPHATE ION | | Authors: | Bender, B.J, Meiler, J. | | Deposit date: | 2016-10-24 | | Release date: | 2016-11-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Experimental and Computational Identification of Naive Binders to a TIM-Barrel Protein Scaffold
To Be Published
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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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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
 | | 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
 | | 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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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
 | | 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
 | | 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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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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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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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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