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8J4L
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BU of 8j4l by Molmil
X-ray crystal structure of F46C myoglobin with a covalently linked triazole group
Descriptor: 1H-1,2,3-triazole-5-thiol, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yuan, H, Lin, Y.W.
Deposit date:2023-04-20
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:X-ray crystal structure of F46C myoglobin with a covalently linked triazole group
To Be Published
8SKS
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BU of 8sks by Molmil
human liver mitochondrial Superoxide dismutase [Mn]
Descriptor: MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial
Authors:Zhang, Z, Tringides, M.
Deposit date:2023-04-20
Release date:2024-02-21
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:High-Resolution Structural Proteomics of Mitochondria Using the 'Build and Retrieve' Methodology.
Mol.Cell Proteomics, 22, 2023
8OSO
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BU of 8oso by Molmil
GTPase HRAS in complex with Zn-cyclen under 500 MPa pressure
Descriptor: 1,4,7,10-tetraazacyclododecane, GTPase HRas, MAGNESIUM ION, ...
Authors:Colloc'h, N, Prange, T, Girard, E, Kalbitzer, H.R.
Deposit date:2023-04-19
Release date:2024-05-08
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:High Pressure Promotes Binding of the Allosteric Inhibitor Zn 2+ -Cyclen in Crystals of Activated H-Ras.
Chemistry, 30, 2024
8OSM
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BU of 8osm by Molmil
GTPASE HRAS IN COMPLEX WITH ZN-CYCLEN AT 200 MPA PRESSURE
Descriptor: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Colloc'h, N, Girard, E, Prange, T, Kalbitzer, H.R.
Deposit date:2023-04-19
Release date:2024-05-08
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:High Pressure Promotes Binding of the Allosteric Inhibitor Zn 2+ -Cyclen in Crystals of Activated H-Ras.
Chemistry, 30, 2024
8OSN
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BU of 8osn by Molmil
GTPASE HRAS IN COMPLEX WITH ZN-CYCLEN AT AMBIENT PRESSURE
Descriptor: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Colloc'h, N, Prange, T, Girard, E, Kalbitzer, H.R.
Deposit date:2023-04-19
Release date:2024-05-08
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High Pressure Promotes Binding of the Allosteric Inhibitor Zn 2+ -Cyclen in Crystals of Activated H-Ras.
Chemistry, 30, 2024
8SKK
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BU of 8skk by Molmil
Crystal Structure of the Tick Evasin EVA-AAM1001(L39P) Complexed to Human Chemokine CCL17
Descriptor: C-C motif chemokine 17, Evasin P1243
Authors:Devkota, S.R, Bhusal, R.P, Aryal, P, Wilce, M.C.J, Stone, M.J.
Deposit date:2023-04-19
Release date:2023-05-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the Tick Evasin EVA-AAM1001(L39P) Complexed to Human Chemokine CCL7
To be Published
8OSL
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BU of 8osl by Molmil
Cryo-EM structure of CLOCK-BMAL1 bound to the native Por enhancer nucleosome (map 2, additional 3D classification and flexible refinement)
Descriptor: Basic helix-loop-helix ARNT-like protein 1, Circadian locomoter output cycles protein kaput, DNA (147-MER), ...
Authors:Michael, A.K, Stoos, L, Kempf, G, Cavadini, S, Thoma, N.
Deposit date:2023-04-19
Release date:2023-05-24
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Cooperation between bHLH transcription factors and histones for DNA access.
Nature, 619, 2023
8OSK
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BU of 8osk by Molmil
Cryo-EM structure of CLOCK-BMAL1 bound to a nucleosomal E-box at position SHL+5.8 (composite map)
Descriptor: Basic helix-loop-helix ARNT-like protein 1, Circadian locomoter output cycles protein kaput, DNA (124-MER), ...
Authors:Stoos, L, Michael, A.K, Kempf, G, Cavadini, S, Thoma, N.H.
Deposit date:2023-04-19
Release date:2023-05-24
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cooperation between bHLH transcription factors and histones for DNA access.
Nature, 619, 2023
8OSJ
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BU of 8osj by Molmil
Cryo-EM structure of CLOCK-BMAL1 bound to a nucleosomal E-box at position SHL-6.2 (DNA conformation 1)
Descriptor: Basic helix-loop-helix ARNT-like protein 1, Circadian locomoter output cycles protein kaput, DNA (124-MER), ...
Authors:Michael, A.K, Stoos, L, Kempf, G, Cavadini, S, Thoma, N.H.
Deposit date:2023-04-19
Release date:2023-05-24
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Cooperation between bHLH transcription factors and histones for DNA access.
Nature, 619, 2023
8OSD
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BU of 8osd by Molmil
Crystal structure of the titin domain Fn3-49
Descriptor: Titin
Authors:Nikoopour, R, Rees, M, Gautel, M.
Deposit date:2023-04-18
Release date:2023-08-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure determination and analysis of titin A-band fibronectin type III domains provides insights for disease-linked variants and protein oligomerisation.
J.Struct.Biol., 215, 2023
8OS6
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BU of 8os6 by Molmil
Structure of a GFRA1/GDNF LICAM complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Houghton, F.M, Adams, S.E, Briggs, D.C, McDonald, N.Q.
Deposit date:2023-04-18
Release date:2023-11-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Architecture and regulation of a GDNF-GFR alpha 1 synaptic adhesion assembly.
Nat Commun, 14, 2023
8OSB
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BU of 8osb by Molmil
TWIST1-TCF4-ALX4 complex on specific DNA
Descriptor: DNA (25-MER), Homeobox protein aristaless-like 4, Transcription factor 4, ...
Authors:Morgunova, E, Kim, S, Popov, A, Wysocka, J, Taipale, J.
Deposit date:2023-04-18
Release date:2024-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:DNA-guided transcription factor cooperativity shapes face and limb mesenchyme.
Cell, 187, 2024
8OS5
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BU of 8os5 by Molmil
Crystal structure of the Factor XII heavy chain reveals an interlocking dimer with a FnII to kringle domain interaction
Descriptor: Coagulation factor XII-Mie
Authors:Li, C, Saleem, M, Kaira, B.G, Brown, A, Wilson, C, Philippou, H, Emsley, J.
Deposit date:2023-04-18
Release date:2024-03-27
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Factor XII and kininogen asymmetric assembly with gC1qR/C1QBP/P32 is governed by allostery.
Blood, 136, 2020
8J3Z
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BU of 8j3z by Molmil
Cryo-EM structure of ATP-U46619-bound ABCC4
Descriptor: (5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 4, ...
Authors:Chen, Y, Wang, L, Hou, W.T, Zhou, C.Z, Chen, Y, Li, Q.
Deposit date:2023-04-18
Release date:2023-05-24
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Cryo-EM structure ofABCC4
Nat Cardiovasc Res, 2023
8J3W
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BU of 8j3w by Molmil
Cryo-EM structure of aspirin-bound ABCC4
Descriptor: 2-(ACETYLOXY)BENZOIC ACID, ATP-binding cassette sub-family C member 4
Authors:Chen, Y, Wang, L, Hou, W.T, Zhou, C.Z, Chen, Y, Li, Q.
Deposit date:2023-04-18
Release date:2023-05-24
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Cryo-EM structure ofABCC4
Nat Cardiovasc Res, 2023
8OS3
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BU of 8os3 by Molmil
Crystal structure of the titin domain Fn3-11
Descriptor: Titin
Authors:Nikoopour, R, Rees, M, Gautel, M.
Deposit date:2023-04-17
Release date:2023-08-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structure determination and analysis of titin A-band fibronectin type III domains provides insights for disease-linked variants and protein oligomerisation.
J.Struct.Biol., 215, 2023
8SIV
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BU of 8siv by Molmil
Structure of Compound 2 bound to the CHK1 10-point mutant
Descriptor: N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)cyclopropanecarboxamide, Serine/threonine-protein kinase Chk1
Authors:Palte, R.L.
Deposit date:2023-04-17
Release date:2023-11-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.759 Å)
Cite:Discovery of MK-1468: A Potent, Kinome-Selective, Brain-Penetrant Amidoisoquinoline LRRK2 Inhibitor for the Potential Treatment of Parkinson's Disease.
J.Med.Chem., 66, 2023
8SIX
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BU of 8six by Molmil
Structure of Compound 13 bound to the CHK1 10-point mutant
Descriptor: (1S)-N-(7-chloro-6-{4-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperazin-1-yl}isoquinolin-3-yl)-6-oxaspiro[2.5]octane-1-carboxamide, Serine/threonine-protein kinase Chk1
Authors:Palte, R.L.
Deposit date:2023-04-17
Release date:2023-11-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of MK-1468: A Potent, Kinome-Selective, Brain-Penetrant Amidoisoquinoline LRRK2 Inhibitor for the Potential Treatment of Parkinson's Disease.
J.Med.Chem., 66, 2023
8SIW
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BU of 8siw by Molmil
Structure of Compound 5 bound to the CHK1 10-point mutant
Descriptor: (1S,2S)-N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide, Serine/threonine-protein kinase Chk1
Authors:Palte, R.L.
Deposit date:2023-04-17
Release date:2023-11-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.877 Å)
Cite:Discovery of MK-1468: A Potent, Kinome-Selective, Brain-Penetrant Amidoisoquinoline LRRK2 Inhibitor for the Potential Treatment of Parkinson's Disease.
J.Med.Chem., 66, 2023
8SIL
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BU of 8sil by Molmil
Lysozyme crystallized in cyclic olefin copolymer-based microfluidic chips
Descriptor: Lysozyme C
Authors:Liu, Z, Gu, K, Shelby, M.L, Gilbile, D, Lyubimov, A.Y, Russi, S, Cohen, A.E, Coleman, M.A, Frank, M, Kuhl, T.L, Botha, S, Poitevin, F, Sierra, R.G.
Deposit date:2023-04-16
Release date:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A user-friendly plug-and-play cyclic olefin copolymer-based microfluidic chip for room-temperature, fixed-target serial crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
8ORL
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BU of 8orl by Molmil
Crystal structure of the S23226G missense variant of titin domain Fn3-56
Descriptor: CHLORIDE ION, Titin, ZINC ION
Authors:Rees, M, Gautel, M.
Deposit date:2023-04-14
Release date:2023-08-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structure determination and analysis of titin A-band fibronectin type III domains provides insights for disease-linked variants and protein oligomerisation.
J.Struct.Biol., 215, 2023
8ORM
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BU of 8orm by Molmil
Cryo-EM structure of CAK-THZ1
Descriptor: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
Authors:Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J.
Deposit date:2023-04-14
Release date:2023-08-30
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (1.9 Å)
Cite:High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
8J2M
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BU of 8j2m by Molmil
The truncated rice Na+/H+ antiporter SOS1 (1-976) in a constitutively active state
Descriptor: (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate, Na+/H+ antiporter
Authors:Zhang, X.Y, Tang, L.H, Zhang, C.R, Nie, J.W.
Deposit date:2023-04-14
Release date:2023-11-22
Last modified:2023-11-29
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure and activation mechanism of the rice Salt Overly Sensitive 1 (SOS1) Na + /H + antiporter.
Nat.Plants, 9, 2023
8J22
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BU of 8j22 by Molmil
Cryo-EM structure of FFAR2 complex bound with TUG-1375
Descriptor: (2R,4R)-2-(2-chlorophenyl)-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbonyl-1,3-thiazolidine-4-carboxylic acid, Free fatty acid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Tai, L, Li, F, Sun, X, Tang, W, Wang, J.
Deposit date:2023-04-14
Release date:2024-01-24
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular recognition and activation mechanism of short-chain fatty acid receptors FFAR2/3.
Cell Res., 34, 2024
8J24
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BU of 8j24 by Molmil
Cryo-EM structure of FFAR2 complex bound with acetic acid
Descriptor: ACETATE ION, Free fatty acid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Tai, L, Li, F, Tang, W, Sun, X, Wang, J.
Deposit date:2023-04-14
Release date:2024-01-24
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Molecular recognition and activation mechanism of short-chain fatty acid receptors FFAR2/3.
Cell Res., 34, 2024

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PDB entries from 2024-07-10

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