1XQQ
 
 | | Simultaneous determination of protein structure and dynamics | | Descriptor: | ubiquitin | | Authors: | Lindorff-Larsen, K, Best, R.B, DePristo, M.A, Vendruscolo, M, Dobson, C.M. | | Deposit date: | 2004-10-13 | | Release date: | 2005-02-08 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Simultaneous determination of protein structure and dynamics
Nature, 433, 2005
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8CLR
 | | Integrated NMR/MD structure determination of a dynamic and thermodynamically stable CUUG RNA tetraloop | | Descriptor: | RNA hairpin with CUUG tetraloop | | Authors: | Oxenfarth, A, Kuemmerer, F, Bottaro, S, Schnieders, R, Pinter, G, Jonker, H.R.A, Fuertig, B, Richter, C, Blackledge, M, Lindorff-Larsen, K, Schwalbe, H. | | Deposit date: | 2023-02-17 | | Release date: | 2023-07-19 | | Last modified: | 2023-08-09 | | Method: | SOLUTION NMR | | Cite: | Integrated NMR/Molecular Dynamics Determination of the Ensemble Conformation of a Thermodynamically Stable CUUG RNA Tetraloop.
J.Am.Chem.Soc., 145, 2023
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2AAO
 | | Regulatory apparatus of Calcium Dependent protein kinase from Arabidopsis thaliana | | Descriptor: | CALCIUM ION, Calcium-dependent protein kinase, isoform AK1 | | Authors: | Chandran, V, Stollar, E.J, Lindorff-Larsen, K, Harper, J.F, Chazin, W.J, Dobson, C.M, Luisi, B.F, Christodoulou, J. | | Deposit date: | 2005-07-13 | | Release date: | 2005-12-27 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the regulatory apparatus of a calcium-dependent protein kinase (CDPK): a novel mode of calmodulin-target recognition.
J.Mol.Biol., 357, 2006
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7PEM
 | | Cryo-EM structure of phophorylated Drs2p-Cdc50p in a PS and ATP-bound E2P state | | Descriptor: | (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Timcenko, M, Wang, Y, Lyons, J.A, Nissen, P, Lindorff-Larsen, K. | | Deposit date: | 2021-08-10 | | Release date: | 2022-08-24 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Substrate Transport and Specificity in a Phospholipid Flippase
To Be Published
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7Q3K
 | | Computationally designed thioredoxin subjected to stability optimizing mutations. | | Descriptor: | SULFATE ION, eMM9 | | Authors: | Norrild, R.K, Johansson, K.E, O'Shea, C, Lindorff-Larsen, K, Winther, J.R, Morth, J.P. | | Deposit date: | 2021-10-27 | | Release date: | 2022-11-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Increasing protein stability by inferring substitution effects from high-throughput experiments.
Cell Rep Methods, 2, 2022
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7Q3J
 | | Computationally designed thioredoxin subjected to stability optimizing mutations. | | Descriptor: | GLYCEROL, MM9 | | Authors: | Norrild, R.K, Johansson, K.E, O'Shea, C, Lindorff-Larsen, K, Winther, J.R, Morth, J.P. | | Deposit date: | 2021-10-27 | | Release date: | 2022-11-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Increasing protein stability by inferring substitution effects from high-throughput experiments.
Cell Rep Methods, 2, 2022
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7ZGO
 | | Cryo-EM structure of human NKCC1 (TM domain) | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CHLORIDE ION, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Nissen, P, Fenton, R, Neumann, C, Lindtoft Rosenbaek, L, Kock Flygaard, R, Habeck, M, Lykkegaard Karlsen, J, Wang, Y, Lindorff-Larsen, K, Gad, H, Hartmann, R, Lyons, J. | | Deposit date: | 2022-04-04 | | Release date: | 2022-10-05 | | Last modified: | 2023-04-19 | | Method: | ELECTRON MICROSCOPY (2.55 Å) | | Cite: | Cryo-EM structure of the human NKCC1 transporter reveals mechanisms of ion coupling and specificity.
Embo J., 41, 2022
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8OX4
 | | Cryo-EM structure of ATP8B1-CDC50A in E1-ATP conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, MAGNESIUM ION, ... | | Authors: | Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P. | | Deposit date: | 2023-05-01 | | Release date: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
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8OX6
 | | Cryo-EM structure of ATP8B1-CDC50A in E1P conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, MAGNESIUM ION, ... | | Authors: | Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P. | | Deposit date: | 2023-05-01 | | Release date: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (2.39 Å) | | Cite: | Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
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8OXB
 | | Cryo-EM structure of ATP8B1-CDC50A in E2-Pi conformation with occluded PC | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, ... | | Authors: | Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P. | | Deposit date: | 2023-05-01 | | Release date: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (2.99 Å) | | Cite: | Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
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8OX5
 | | Cryo-EM structure of ATP8B1-CDC50A in E1P-ADP conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, Cell cycle control protein 50A, ... | | Authors: | Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P. | | Deposit date: | 2023-05-01 | | Release date: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
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8OX9
 | | Cryo-EM structure of ATP8B1-CDC50A in E2P active conformation with bound PC | | Descriptor: | (2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P. | | Deposit date: | 2023-05-01 | | Release date: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (2.72 Å) | | Cite: | Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
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8OX8
 | | Cryo-EM structure of ATP8B1-CDC50A in E2P autoinhibited "open" conformation | | Descriptor: | (2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, ... | | Authors: | Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P. | | Deposit date: | 2023-05-01 | | Release date: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
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8OXC
 | | Cryo-EM structure of ATP8B1-CDC50A in E2-Pi conformation with occluded PI | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, ... | | Authors: | Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P. | | Deposit date: | 2023-05-01 | | Release date: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (2.58 Å) | | Cite: | Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
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8OX7
 | | Cryo-EM structure of ATP8B1-CDC50A in E2P autoinhibited "closed" conformation | | Descriptor: | (2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, ... | | Authors: | Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P. | | Deposit date: | 2023-05-01 | | Release date: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (2.56 Å) | | Cite: | Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
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8OXA
 | | Cryo-EM structure of ATP8B1-CDC50A in E2-Pi conformation with occluded PS | | Descriptor: | (2~{S})-2-azanyl-3-[[(2~{R})-3-hexadecanoyloxy-2-[(~{Z})-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, ... | | Authors: | Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P. | | Deposit date: | 2023-05-01 | | Release date: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (2.76 Å) | | Cite: | Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
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7A1H
 | | Crystal structure of wild-type CI2 | | Descriptor: | SULFATE ION, Subtilisin-chymotrypsin inhibitor-2A | | Authors: | Olsen, J.G, Teilum, K, Hamborg, L, Roche, J.V. | | Deposit date: | 2020-08-13 | | Release date: | 2020-12-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Synergistic stabilization of a double mutant in chymotrypsin inhibitor 2 from a library screen in E. coli.
Commun Biol, 4, 2021
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7A3M
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2N7I
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7AON
 | | Crystal structure of CI2 double mutant L49I,I57V | | Descriptor: | GLYCEROL, SULFATE ION, Subtilisin-chymotrypsin inhibitor-2A | | Authors: | Olsen, J.G, Teilum, K, Hamborg, L, Roche, J.V. | | Deposit date: | 2020-10-14 | | Release date: | 2020-12-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Synergistic stabilization of a double mutant in chymotrypsin inhibitor 2 from a library screen in E. coli.
Commun Biol, 4, 2021
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7AOK
 | | Crystal structure of CI2 mutant L49I | | Descriptor: | SULFATE ION, Subtilisin-chymotrypsin inhibitor-2A | | Authors: | Olsen, J.G, Teilum, K, Hamborg, L, Roche, J.V. | | Deposit date: | 2020-10-14 | | Release date: | 2020-12-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Synergistic stabilization of a double mutant in chymotrypsin inhibitor 2 from a library screen in E. coli.
Commun Biol, 4, 2021
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6Z40
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6Z41
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6QFS
 | | Chargeless variant of the Cellulose-binding domain from Cellulomonas fimi | | Descriptor: | 1,2-ETHANEDIOL, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ... | | Authors: | Young, D.R, Hoejgaard, C, Messens, J, Winther, J.R. | | Deposit date: | 2019-01-10 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Charge Interactions in a Highly Charge-depleted Protein
J.Am.Chem.Soc., 2021
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7B52
 | | VAR2CSA full ectodomain | | Descriptor: | Erythrocyte membrane protein 1 | | Authors: | Wang, K.T, Gourdon, P.E, Dagil, R, Salanti, A. | | Deposit date: | 2020-12-03 | | Release date: | 2021-04-21 | | Last modified: | 2022-05-25 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Cryo-EM reveals the architecture of placental malaria VAR2CSA and provides molecular insight into chondroitin sulfate binding.
Nat Commun, 12, 2021
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