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6ZET
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BU of 6zet by Molmil
Crystal structure of proteinase K nanocrystals by electron diffraction with a 20 micrometre C2 condenser aperture
Descriptor: CALCIUM ION, Proteinase K
Authors:Evans, G, Zhang, P, Beale, E.V, Waterman, D.G.
Deposit date:2020-06-16
Release date:2020-10-14
Last modified:2024-02-14
Method:ELECTRON CRYSTALLOGRAPHY (2.701 Å)
Cite:A Workflow for Protein Structure Determination From Thin Crystal Lamella by Micro-Electron Diffraction.
Front Mol Biosci, 7, 2020
6ZEV
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BU of 6zev by Molmil
Crystal structure of proteinase K lamellae by electron diffraction with a 20 micrometre C2 condenser aperture
Descriptor: CALCIUM ION, Proteinase K
Authors:Evans, G, Zhang, P, Beale, E.V, Waterman, D.G.
Deposit date:2020-06-16
Release date:2020-10-14
Last modified:2024-02-14
Method:ELECTRON CRYSTALLOGRAPHY (2.4 Å)
Cite:A Workflow for Protein Structure Determination From Thin Crystal Lamella by Micro-Electron Diffraction.
Front Mol Biosci, 7, 2020
6MQF
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BU of 6mqf by Molmil
Myotoxin II from Bothrops moojeni complexed with Acetylsalicylic acid
Descriptor: 2-(ACETYLOXY)BENZOIC ACID, Basic phospholipase A2 homolog 2, DIMETHYL SULFOXIDE
Authors:Salvador, G.H.M, Fontes, M.R.M.
Deposit date:2018-10-09
Release date:2019-03-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.693 Å)
Cite:Search for efficient inhibitors of myotoxic activity induced by ophidian phospholipase A2-like proteins using functional, structural and bioinformatics approaches.
Sci Rep, 9, 2019
8OID
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BU of 8oid by Molmil
Cryo-EM structure of ADP-bound, filamentous beta-actin harboring the N111S mutation
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ...
Authors:Oosterheert, W, Blanc, F.E.C, Roy, A, Belyy, A, Hofnagel, O, Hummer, G, Bieling, P, Raunser, S.
Deposit date:2023-03-22
Release date:2023-08-09
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Molecular mechanisms of inorganic-phosphate release from the core and barbed end of actin filaments.
Nat.Struct.Mol.Biol., 30, 2023
8EQ5
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BU of 8eq5 by Molmil
Crystal structure of the N-terminal kinase domain of RSK2 in complex with SPRED2 (131-160)
Descriptor: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside, Ribosomal protein S6 kinase alpha-3, Sprouty-related, ...
Authors:Bonsor, D.A, Lopez, J, McCormick, F, Simanshu, D.K.
Deposit date:2022-10-07
Release date:2023-04-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The ribosomal S6 kinase 2 (RSK2)-SPRED2 complex regulates the phosphorylation of RSK substrates and MAPK signaling.
J.Biol.Chem., 299, 2023
8OI6
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BU of 8oi6 by Molmil
Cryo-EM structure of the undecorated barbed end of filamentous beta/gamma actin
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ...
Authors:Oosterheert, W, Blanc, F.E.C, Roy, A, Belyy, A, Hofnagel, O, Hummer, G, Bieling, P, Raunser, S.
Deposit date:2023-03-22
Release date:2023-08-09
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:Molecular mechanisms of inorganic-phosphate release from the core and barbed end of actin filaments.
Nat.Struct.Mol.Biol., 30, 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
6MT0
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BU of 6mt0 by Molmil
Crystal structure of human Pim-1 kinase in complex with a quinazolinone-pyrrolodihydropyrrolone inhibitor
Descriptor: 3-(1-methylcyclopropyl)-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one, GLYCEROL, Serine/threonine-protein kinase pim-1
Authors:Mohr, C.
Deposit date:2018-10-18
Release date:2019-01-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of ( R)-8-(6-Methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4- b]pyrrol-2-yl)-3-(1-methylcyclopropyl)-2-((1-methylcyclopropyl)amino)quinazolin-4(3 H)-one, a Potent and Selective Pim-1/2 Kinase Inhibitor for Hematological Malignancies.
J. Med. Chem., 62, 2019
6JMH
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BU of 6jmh by Molmil
Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan
Descriptor: (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, ...
Authors:Stanfield, J.K, Omura, K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
Deposit date:2019-03-10
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
8ET7
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BU of 8et7 by Molmil
Cryo-EM structure of the organic cation transporter 1 in complex with diphenhydramine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-[2-(BENZHYDRYLOXY)ETHYL]-N,N-DIMETHYLAMINE, OCT1
Authors:Suo, Y, Wright, N.J, Lee, S.-Y.
Deposit date:2022-10-16
Release date:2023-05-31
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (3.77 Å)
Cite:Molecular basis of polyspecific drug and xenobiotic recognition by OCT1 and OCT2.
Nat.Struct.Mol.Biol., 30, 2023
5YEL
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BU of 5yel by Molmil
Crystal structure of CTCF ZFs6-11-gb7CSE
Descriptor: DNA (26-MER), Transcriptional repressor CTCF, ZINC ION
Authors:Yin, M, Wang, J, Wang, M, Li, X, Wang, Y.
Deposit date:2017-09-18
Release date:2017-11-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Molecular mechanism of directional CTCF recognition of a diverse range of genomic sites
Cell Res., 27, 2017
8OQ9
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BU of 8oq9 by Molmil
Crystal structure of the titin domain Fn3-56
Descriptor: CHLORIDE ION, Titin, ZINC ION
Authors:Rees, M, Gautel, M.
Deposit date:2023-04-11
Release date:2023-08-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 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
6N03
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BU of 6n03 by Molmil
CO-bound Sperm Whale Myoglobin, room temperature structure, last 2 degrees of 5 degree total oscillation and 160 kGy dose
Descriptor: CARBON MONOXIDE, Myoglobin, CO-bound, ...
Authors:Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D.
Deposit date:2018-11-06
Release date:2019-03-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Fixed-target serial oscillation crystallography at room temperature.
IUCrJ, 6, 2019
6ZHI
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BU of 6zhi by Molmil
Structure of the Plasmodium falciparum Hsp70-x substrate binding domain in complex with hydrophobic peptide
Descriptor: ASN-ARG-LEU-LEU-LEU-THR-GLY, Heat shock protein 70
Authors:Schmidt, J, Vakonakis, I.
Deposit date:2020-06-23
Release date:2020-09-09
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structure of the substrate-binding domain of Plasmodium falciparum heat-shock protein 70-x.
Acta Crystallogr.,Sect.F, 76, 2020
8OMW
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BU of 8omw by Molmil
Crystal structure of the titin domain Fn3-20
Descriptor: CHLORIDE ION, Titin
Authors:Rees, M, Gautel, M.
Deposit date:2023-03-31
Release date:2023-08-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.05 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
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
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
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
8WB1
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BU of 8wb1 by Molmil
Crystal Structure of small molecule KN2H covalently bound to K-Ras(G12D)
Descriptor: 1,2-ETHANEDIOL, 1-[(1~{S},5~{R})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]ethanone, GTPase KRas, ...
Authors:Zhou, L, Zhang, R, Shuai, T.B.
Deposit date:2023-09-08
Release date:2024-09-11
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal Structure of small molecule KN2H covalently bound to K-Ras(G12D)
To Be Published
8OT5
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BU of 8ot5 by Molmil
Crystal structure of the titin domain Fn3-85
Descriptor: CHLORIDE ION, SODIUM ION, Titin
Authors:Nikoopour, R, Rees, M, Gautel, M.
Deposit date:2023-04-20
Release date:2023-08-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.56 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
8OIY
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BU of 8oiy by Molmil
Crystal structure of the R15908H missense variant of titin domain Fn3-3
Descriptor: Titin
Authors:Rees, M, Gautel, M.
Deposit date:2023-03-23
Release date:2023-08-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 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
6JKM
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BU of 6jkm by Molmil
Crystal structure of BubR1 kinase domain
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Lin, L, Ye, S, Huang, Y, Liu, X, Zhang, R, Yao, X.
Deposit date:2019-03-01
Release date:2019-06-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:BubR1 phosphorylates CENP-E as a switch enabling the transition from lateral association to end-on capture of spindle microtubules.
Cell Res., 29, 2019
5YCI
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BU of 5yci by Molmil
Ancestral myoglobin aMbWb' of Basilosaurus relative (polyphyly)
Descriptor: Ancestral myoglobin aMbWb' of Basilosaurus relative (polyphyly), PROTOPORPHYRIN IX CONTAINING FE
Authors:Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Nakagawa, T, Tsuneshige, A, Shirai, T.
Deposit date:2017-09-07
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Tracing whale myoglobin evolution by resurrecting ancient proteins.
Sci Rep, 8, 2018
5YM3
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BU of 5ym3 by Molmil
CYP76AH1-4pi from salvia miltiorrhiza
Descriptor: 4-PHENYL-1H-IMIDAZOLE, Ferruginol synthase, MANGANESE (II) ION, ...
Authors:Chang, Z.
Deposit date:2017-10-20
Release date:2018-10-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Crystal structure of CYP76AH1 in 4-PI-bound state from Salvia miltiorrhiza.
Biochem.Biophys.Res.Commun., 511, 2019
6Z4H
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BU of 6z4h by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 2 in P21 space group
Descriptor: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020

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