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6YPP
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BU of 6ypp by Molmil
Crystal structure of the cAMP-dependent protein kinase A cocrystallized with PKI (5-24). Soaking of aminofasudil and displacing it with the fragment isoquinoline.
Descriptor: ISOQUINOLINE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Oebbeke, M, Gerber, H.-D, Heine, A, Klebe, G.
Deposit date:2020-04-16
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Fluorescence-based displacement experiments
To Be Published
8F05
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BU of 8f05 by Molmil
Proteinase K Anomalous Dataset at 293 K and 7.1 keV
Descriptor: CALCIUM ION, Proteinase K, SULFATE ION
Authors:Doukov, T, Yabukarski, F, Herschlag, D.
Deposit date:2022-11-01
Release date:2023-03-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
6YOT
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BU of 6yot by Molmil
Crystal structure of the cAMP-dependent protein kinase A cocrystallized with N,N-dimethylisoquinoline-5-sulfonamide and PKI (5-24)
Descriptor: cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ~{N},~{N}-dimethylisoquinoline-5-sulfonamide
Authors:Oebbeke, M, Heine, A, Klebe, G.
Deposit date:2020-04-15
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Fragment based drug design - Small chemical changes of fragments effecting big changes in binding
To Be Published
8EZX
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BU of 8ezx by Molmil
Lysozyme Anomalous Dataset at 293 K and 7.1 keV
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Doukov, T, Yabukarski, F, Herschlag, D.
Deposit date:2022-11-01
Release date:2023-03-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
8VMF
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BU of 8vmf by Molmil
Crystal structure of a transition-state mimic of the GSK-3/Axin complex bound to a beta-catenin S45D peptide
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Axin-1, ...
Authors:Enos, M.D, Gavagan, M, Jameson, N, Zalatan, J.G, Weis, W.I.
Deposit date:2024-01-13
Release date:2024-08-28
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and functional effects of phosphopriming and scaffolding in the kinase GSK-3 beta.
Sci.Signal., 17, 2024
6MNX
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BU of 6mnx by Molmil
Structural basis of impaired hydrolysis in KRAS Q61H mutant
Descriptor: GTPase KRas, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Bera, A.K, Westover, K.D.
Deposit date:2018-10-03
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:KRASQ61HPreferentially Signals through MAPK in a RAF Dimer-Dependent Manner in Non-Small Cell Lung Cancer.
Cancer Res., 80, 2020
8EK1
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BU of 8ek1 by Molmil
Cryo-EM structure of a potent anti-malarial antibody L9 in complex with Plasmodium falciparum circumsporozoite protein (PfCSP)(dominant class)
Descriptor: Circumsporozoite protein, L9 Fab heavy chain, L9 Fab light chain
Authors:Tripathi, P, Kwong, P.D.
Deposit date:2022-09-19
Release date:2023-03-15
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structures of anti-malarial antibody L9 with circumsporozoite protein reveal trimeric L9 association and complete 27-residue epitope.
Structure, 31, 2023
8WJ1
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BU of 8wj1 by Molmil
cryo-EM structure of human haemoglobin in oxy form
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, OXYGEN MOLECULE, ...
Authors:Takahashi, K, Lee, Y, Fago, A, Bautista, N.M, Kawamoto, A, Kurisu, G, Storz, J, Nishizawa, T, Tame, J.R.H.
Deposit date:2023-09-25
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (2.27 Å)
Cite:The unique allosteric property of crocodilian haemoglobin elucidated by cryo-EM.
Nat Commun, 15, 2024
8WJH
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BU of 8wjh by Molmil
Cryo-EM structure of OAT4
Descriptor: CHLORIDE ION, Solute carrier family 22 member 11
Authors:Qian, H.W, He, J.J.
Deposit date:2023-09-26
Release date:2024-08-28
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for the transport and substrate selection of human urate transporter 1.
Cell Rep, 43, 2024
8EZO
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BU of 8ezo by Molmil
Lysozyme Anomalous Dataset at 220 K and 7.1 keV
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Doukov, T, Yabukarski, F.
Deposit date:2022-11-01
Release date:2023-03-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
8WJ0
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BU of 8wj0 by Molmil
cryo-EM structure of human haemoglobin in carbonmonoxy form
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Takahashi, K, Lee, Y, Fago, A, Bautista, N.M, Kawamoto, A, Kurisu, G, Storz, J, Nishizawa, T, Tame, J.R.H.
Deposit date:2023-09-25
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (2.24 Å)
Cite:The unique allosteric property of crocodilian haemoglobin elucidated by cryo-EM.
Nat Commun, 15, 2024
8F0B
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BU of 8f0b by Molmil
Lysozyme Anomalous Dataset at 240 K and 7.1 keV
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Doukov, T, Yabukarski, F, Herschlag, D.
Deposit date:2022-11-02
Release date:2023-03-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
6H1Y
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BU of 6h1y by Molmil
CRYSTAL STRUCTURE OF A CHIMERIC VARIANT OF THIOREDOXIN FROM ESCHERICHIA COLI
Descriptor: Thioredoxin 1,Thioredoxin (TrxA-1),Thioredoxin 1
Authors:Ruggiero, A, Smaldone, G, Esposito, L, Balasco, N, Vitagliano, L.
Deposit date:2018-07-12
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Loop size optimization induces a strong thermal stabilization of the thioredoxin fold.
Febs J., 286, 2019
8VME
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BU of 8vme by Molmil
Crystal structure of the GSK-3/Axin complex bound to a phosphorylated beta-catenin T41A peptide
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Axin-1, Catenin beta-1, ...
Authors:Enos, M.D, Gavagan, M, Jameson, N, Zalatan, J.G, Weis, W.I.
Deposit date:2024-01-13
Release date:2024-08-28
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and functional effects of phosphopriming and scaffolding in the kinase GSK-3 beta.
Sci.Signal., 17, 2024
8WIY
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BU of 8wiy by Molmil
cryo-EM structure of alligator haemoglobin in oxy form
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, OXYGEN MOLECULE, ...
Authors:Takahashi, K, Lee, Y, Fago, A, Bautista, N.M, Kawamoto, A, Kurisu, G, Storz, J, Nishizawa, T, Tame, J.R.H.
Deposit date:2023-09-25
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (2.31 Å)
Cite:The unique allosteric property of crocodilian haemoglobin elucidated by cryo-EM.
Nat Commun, 15, 2024
6Y0L
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BU of 6y0l by Molmil
Crystal structure of human CD23 lectin domain N225D, K229E, S252N, T251N, R253G, S254G mutant
Descriptor: GLYCEROL, Low affinity immunoglobulin epsilon Fc receptor membrane-bound form, SULFATE ION
Authors:Ilkow, V.F, Davies, A.M, Sutton, B.J, McDonnell, J.M.
Deposit date:2020-02-09
Release date:2021-06-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Reviving lost binding sites: Exploring calcium-binding site transitions between human and murine CD23.
Febs Open Bio, 11, 2021
8VMG
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BU of 8vmg by Molmil
Crystal structure of GSK-3 26-383 bound to Axin 383-435
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Enos, M.D, Gavagan, M, Jameson, N, Zalatan, J.G, Weis, W.I.
Deposit date:2024-01-13
Release date:2024-08-28
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural and functional effects of phosphopriming and scaffolding in the kinase GSK-3 beta.
Sci.Signal., 17, 2024
8K8M
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BU of 8k8m by Molmil
Crystallographic structure of Lysozyme C from chicken
Descriptor: GLYCEROL, Lysozyme C
Authors:Zheng, P, Shang, G, Jin, J, He, L.
Deposit date:2023-07-31
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallographic structure of Lysozyme C from chicken
To Be Published
6MOQ
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BU of 6moq by Molmil
Crystal Structure of the All-trans Retinal-Bound R111K:Y134F:T54V:R132Q:P39Y:R59Y:L121W Mutant of Human Cellular Retinoic Acid Binding Protein II in the Dark at 2.2 Angstrom Resolution
Descriptor: Cellular retinoic acid-binding protein 2, RETINAL
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2018-10-04
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.198 Å)
Cite:Mimicking Microbial Rhodopsin Isomerization in a Single Crystal.
J. Am. Chem. Soc., 141, 2019
6Y0M
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BU of 6y0m by Molmil
Crystal structure of human CD23 lectin domain N225D, K229E, S252N, T251N mutant
Descriptor: Low affinity immunoglobulin epsilon Fc receptor membrane-bound form
Authors:Ilkow, V.F, Davies, A.M, Sutton, B.J, McDonnell, J.M.
Deposit date:2020-02-09
Release date:2021-06-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Reviving lost binding sites: Exploring calcium-binding site transitions between human and murine CD23.
Febs Open Bio, 11, 2021
6MOW
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BU of 6mow by Molmil
Crystal Structure of the apo R111K:Y134F:T54V:R132Q:P39Y:R59Y:L121Q mutant of Human Cellular Retinoic Acid Binding Protein II at 2.3 Angstrom Resolution
Descriptor: Cellular retinoic acid-binding protein 2
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2018-10-04
Release date:2019-10-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.354 Å)
Cite:Crystal Structure of the apo R111K:Y134F:T54V:R132Q:P39Y:R59Y:L121Q mutant of Human Cellular Retinoic Acid Binding Protein II at 2.3 Angstrom Resolution
To Be Published
8F07
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BU of 8f07 by Molmil
Proteinase K Anomalous Dataset at 273 K and 12 keV
Descriptor: CALCIUM ION, Proteinase K, SULFATE ION
Authors:Doukov, T, Yabukarski, F, Herschlag, D.
Deposit date:2022-11-01
Release date:2023-03-15
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
8F00
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BU of 8f00 by Molmil
Lysozyme Anomalous Dataset at 293 K and 12 keV
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Doukov, T, Yabukarski, F, Herschlag, D.
Deposit date:2022-11-01
Release date:2023-03-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
8WJ2
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BU of 8wj2 by Molmil
cryo-EM structure of human haemoglobin in deoxy form
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
Authors:Takahashi, K, Lee, Y, Fago, A, Bautista, N.M, Kawamoto, A, Kurisu, G, Storz, J, Nishizawa, T, Tame, J.R.H.
Deposit date:2023-09-25
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (2.35 Å)
Cite:The unique allosteric property of crocodilian haemoglobin elucidated by cryo-EM.
Nat Commun, 15, 2024
8EKA
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BU of 8eka by Molmil
Cryo-EM structure of a potent anti-malarial antibody L9 in complex with Plasmodium falciparum circumsporozoite protein (PfCSP)(class 2)
Descriptor: Circumsporozoite protein, L9 Fab heavy chain, L9 Fab light chain
Authors:Tripathi, P, Kwong, P.D.
Deposit date:2022-09-20
Release date:2023-03-15
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM structures of anti-malarial antibody L9 with circumsporozoite protein reveal trimeric L9 association and complete 27-residue epitope.
Structure, 31, 2023

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건을2024-10-09부터공개중

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