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8OUZ
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BU of 8ouz by Molmil
Human RAD51B-RAD51C-RAD51D-XRCC2 (BCDX2) complex, 2.2 A resolution
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA repair protein RAD51 homolog 2, ...
Authors:Greenhough, L.A, Liang, C.C, West, S.C.
Deposit date:2023-04-25
Release date:2023-06-21
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Structure and function of the RAD51B-RAD51C-RAD51D-XRCC2 tumour suppressor.
Nature, 619, 2023
8OUU
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BU of 8ouu by Molmil
Crystal structure of D1228V c-MET bound by compound 29
Descriptor: 1,2-ETHANEDIOL, 5-(3-ethynyl-5-fluoranyl-1H-indazol-7-yl)-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione, FORMIC ACID, ...
Authors:Collie, G.W.
Deposit date:2023-04-24
Release date:2023-07-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
8OUT
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BU of 8out by Molmil
CRYSTAL STRUCTURE OF DLK IN COMPLEX WITH COMPOUND 22
Descriptor: (1R)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-fluoranyl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-tris(fluoranyl)ethanol, Mitogen-activated protein kinase kinase kinase 12
Authors:Zebisch, M, Akkermans, O, Barker, J.J, Cross, J.B.
Deposit date:2023-04-24
Release date:2023-07-26
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.935 Å)
Cite:Discovery of IACS-52825, a Potent and Selective DLK Inhibitor for Treatment of Chemotherapy-Induced Peripheral Neuropathy.
J.Med.Chem., 66, 2023
8OUS
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CRYSTAL STRUCTURE OF DLK IN COMPLEX WITH COMPOUND 19
Descriptor: (1S)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methyl-propan-1-ol, Mitogen-activated protein kinase kinase kinase 12
Authors:Zebisch, M, McEwan, P.A, Barker, J.J, Cross, J.B.
Deposit date:2023-04-24
Release date:2023-07-26
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of IACS-52825, a Potent and Selective DLK Inhibitor for Treatment of Chemotherapy-Induced Peripheral Neuropathy.
J.Med.Chem., 66, 2023
8OUR
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BU of 8our by Molmil
CRYSTAL STRUCTURE OF DLK IN COMPLEX WITH COMPOUND 16
Descriptor: 5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-yl-imidazol-4-yl]-3-(trifluoromethyloxy)pyridin-2-amine, Mitogen-activated protein kinase kinase kinase 12
Authors:Zebisch, M, McEwan, P.A, Barker, J.J, Cross, J.B.
Deposit date:2023-04-24
Release date:2023-07-26
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of IACS-52825, a Potent and Selective DLK Inhibitor for Treatment of Chemotherapy-Induced Peripheral Neuropathy.
J.Med.Chem., 66, 2023
8OUP
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BU of 8oup by Molmil
Structural characterization of the hexa-coordinated globin from Spisula solidissima
Descriptor: GLYCEROL, Nerve hemoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Nardini, M, Pesce, A.
Deposit date:2023-04-24
Release date:2023-07-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and dynamic characterization of the hexa-coordinated globin from Spisula solidissima.
J.Inorg.Biochem., 246, 2023
8OUN
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BU of 8oun by Molmil
Arf GTPase from the asgard Gerdarchaea : GerdArfR1 bound to GDP
Descriptor: GTP-binding protein, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Menetrey, J, Jackson, C, Dacks, J.B, Elias, M, Vargova, R.
Deposit date:2023-04-24
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.653 Å)
Cite:Arf Family GTPases are present in Asgard archaea
To Be Published
8OUM
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BU of 8oum by Molmil
Arf GTPase from the asgard Gerdarchaea : GerdArfR1 bound to GTP
Descriptor: GTP-binding protein, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Menetrey, J, Jackson, C, Dacks, J.B, Elias, M, Vargova, R.
Deposit date:2023-04-24
Release date:2024-05-01
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Arf Family GTPases are present in Asgard archaea
To Be Published
8OUL
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BU of 8oul by Molmil
Arf GTPase from the asgard Hodarchaea : HodArfR1 bound to GDP
Descriptor: Arf GTPase, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Menetrey, J, Jackson, C.
Deposit date:2023-04-23
Release date:2024-05-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Arf Family GTPases are present in Asgard archaea
To Be Published
8OUK
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BU of 8ouk by Molmil
Arf GTPase from the asgard Hodarchaea : HodArfR1 bound to GTP
Descriptor: Arf GTPase, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Menetrey, J, Jackson, C, Dacks, J, Elias, M, Vargova, R.
Deposit date:2023-04-23
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Arf Family GTPases are present in Asgard archaea
To Be Published
8OUC
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BU of 8ouc by Molmil
Escherichia coli DPS
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA protection during starvation protein
Authors:Kovalenko, V.V, Loiko, N.G, Tereshkina, K.B, Tereshkin, E.V, Chulichkov, A.L, Popov, A.N, Krupyanskii, Y.F.
Deposit date:2023-04-22
Release date:2023-05-03
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Escherichia coli DPS
To be published
8OU2
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Crystal structure of the bromodomain of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to a potent inhibitor
Descriptor: 1,2-ETHANEDIOL, 7-(1-cyclopropylpyrazol-4-yl)-2-[[2-fluoranyl-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]amino]-3-methyl-pyrido[1,2-a]pyrimidin-4-one, DIMETHYL SULFOXIDE, ...
Authors:Balikci, E, Ni, X, Bountra, C, von Delft, F, Huber, K.
Deposit date:2023-04-21
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the bromodomain of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to a potent inhibitor
To Be Published
8OTY
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BU of 8oty by Molmil
Crystal structure of the titin domain Fn3-90
Descriptor: Titin
Authors:Nikoopour, R, Rees, M, Gautel, M.
Deposit date:2023-04-21
Release date:2023-08-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 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
8OTP
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BU of 8otp by Molmil
Crystal structure of human carbonic anhydrase II with 1-cyclopropyl-6-fluoro-4-oxo-7-(4-(4-sulfamoylbenzoyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
Descriptor: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(4-sulfamoylphenyl)carbonylpiperazin-1-yl]quinoline-3-carboxylic acid, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2023-04-21
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of human carbonic anhydrase II with 1-cyclopropyl-6-fluoro-4-oxo-7-(4-(4-sulfamoylbenzoyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
To Be Published
8OTN
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BU of 8otn by Molmil
structure of InhA from mycobacterium tuberculosis in complex with inhibitor 7-((1-(3-Hydroxy-4-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methoxy)-4-methyl-2H-chromen-2-one
Descriptor: 4-methyl-7-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methoxy]chromen-2-one, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Chebaiki, M, Maveyraud, L, Tamhaev, R, Lherbet, C, Mourey, L.
Deposit date:2023-04-21
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.962 Å)
Cite:Discovery of new diaryl ether inhibitors against Mycobacterium tuberculosis targeting the minor portal of InhA.
Eur.J.Med.Chem., 259, 2023
8OTM
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BU of 8otm by Molmil
structure of InhA from mycobacterium tuberculosis in complex with N-((1-(3-hydroxy-4-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl)-2-oxo-2H-chromene-3-carboxamide
Descriptor: 1,2-ETHANEDIOL, 2-oxidanylidene-~{N}-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methyl]chromene-3-carboxamide, ACETATE ION, ...
Authors:Chebaiki, M, Maveyraud, L, Tamhaev, R, Lherbet, C, Mourey, L.
Deposit date:2023-04-21
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of new diaryl ether inhibitors against Mycobacterium tuberculosis targeting the minor portal of InhA.
Eur.J.Med.Chem., 259, 2023
8OTL
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BU of 8otl by Molmil
structure of InhA from Mycobacterium tuberculosis in complex with 5-(((4-(2-hydroxyphenoxy)benzyl)(octyl)amino)methyl)-2-phenoxyphenol
Descriptor: 1,2-ETHANEDIOL, 5-[[octyl-[[4-(2-oxidanylphenoxy)phenyl]methyl]amino]methyl]-2-phenoxy-phenol, ACETATE ION, ...
Authors:Tamhaev, R, Maveyraud, L, Chebaiki, M, Lherbet, C, Mourey, L.
Deposit date:2023-04-21
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.108 Å)
Cite:Exploring the plasticity of the InhA substrate-binding site using new diaryl ether inhibitors.
Bioorg.Chem., 143, 2023
8OTK
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BU of 8otk by Molmil
Structure of ClpC Q11P N-terminal Domain
Descriptor: ATP-dependent Clp protease ATP-binding subunit ClpC / Negative regulator of tic competence clcC/mecB, CARBONATE ION, GLYCEROL, ...
Authors:Evans, N.J, Isaacson, R.L, Camp, A.H.
Deposit date:2023-04-21
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:A novel ClpC-ClpP adaptor protein that functions in the developing Bacillus subtilis spore
To Be Published
8OTJ
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BU of 8otj by Molmil
PHF tau filament from Kii ALS/PDC
Descriptor: Microtubule-associated protein tau
Authors:Qi, C, Yang, S, Scheres, S.H.W, Goedert, M.
Deposit date:2023-04-20
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Tau filaments from amyotrophic lateral sclerosis/parkinsonism-dementia complex adopt the CTE fold.
Proc.Natl.Acad.Sci.USA, 120, 2023
8OTI
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BU of 8oti by Molmil
CTE typeIII tau filament
Descriptor: Microtubule-associated protein tau
Authors:Tetter, S, Qi, C, Ryskeldi-Falcon, B, Scheres, S.H.W, Goedert, M.
Deposit date:2023-04-20
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Tau filaments from amyotrophic lateral sclerosis/parkinsonism-dementia complex adopt the CTE fold.
Proc.Natl.Acad.Sci.USA, 120, 2023
8OTH
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BU of 8oth by Molmil
TypeII tau filament from Kii ALS/PDC
Descriptor: Microtubule-associated protein tau
Authors:Qi, C, Yang, S, Scheres, S.H.W, Goedert, M.
Deposit date:2023-04-20
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Tau filaments from amyotrophic lateral sclerosis/parkinsonism-dementia complex adopt the CTE fold.
Proc.Natl.Acad.Sci.USA, 120, 2023
8OTG
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BU of 8otg by Molmil
CTE typeI tau filament from Kii ALS/PDC
Descriptor: Microtubule-associated protein tau
Authors:Qi, C, Yang, S, Scheres, S.H.W, Goedert, M.
Deposit date:2023-04-20
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:Tau filaments from amyotrophic lateral sclerosis/parkinsonism-dementia complex adopt the CTE fold.
Proc.Natl.Acad.Sci.USA, 120, 2023
8OTF
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BU of 8otf by Molmil
Ab typeII filament from Guam ALS/PDC
Descriptor: Amyloid-beta precursor protein
Authors:Qi, C, Yang, S, Scheres, S.H.W, Goedert, M.
Deposit date:2023-04-20
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Tau filaments from amyotrophic lateral sclerosis/parkinsonism-dementia complex adopt the CTE fold.
Proc.Natl.Acad.Sci.USA, 120, 2023
8OTE
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BU of 8ote by Molmil
TMEM106B Fold I-d filament from Guam ALS/PDC
Descriptor: Transmembrane protein 106B
Authors:Qi, C, Yang, S, Scheres, S.H.W, Goedert, M.
Deposit date:2023-04-20
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Tau filaments from amyotrophic lateral sclerosis/parkinsonism-dementia complex adopt the CTE fold.
Proc.Natl.Acad.Sci.USA, 120, 2023
8OTD
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BU of 8otd by Molmil
TMEM106B Fold1-s filament from Guam ALS/PDC
Descriptor: Transmembrane protein 106B
Authors:Qi, C, Yang, S, Scheres, S.H.W, Goedert, M.
Deposit date:2023-04-20
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Tau filaments from amyotrophic lateral sclerosis/parkinsonism-dementia complex adopt the CTE fold.
Proc.Natl.Acad.Sci.USA, 120, 2023

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PDB entries from 2024-07-10

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