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7AD9
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BU of 7ad9 by Molmil
Structure of the Lifeact-F-actin complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Belyy, A, Merino, F, Sitsel, O, Raunser, S.
Deposit date:2020-09-14
Release date:2020-10-28
Last modified:2020-12-02
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of the Lifeact-F-actin complex.
Plos Biol., 18, 2020
4TPO
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BU of 4tpo by Molmil
High-resolution structure of TxtE with bound tryptophan substrate
Descriptor: GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, Putative P450-like protein, ...
Authors:Cahn, J.K.B, Dodani, S.C, Brinkmann-Chen, S, Heinsich, T, McIntosh, J.A, Arnold, F.H.
Deposit date:2014-06-08
Release date:2014-09-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.225 Å)
Cite:Structural, Functional, and Spectroscopic Characterization of the Substrate Scope of the Novel Nitrating Cytochrome P450 TxtE.
Chembiochem, 15, 2014
4TQ9
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BU of 4tq9 by Molmil
Crystal Structure of a GDP-bound G12V Oncogenic Mutant of Human GTPase KRas
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Hunter, J.C, Manandhar, A, Gurbani, D, Chen, Z, Westover, K.D.
Deposit date:2014-06-10
Release date:2015-06-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.491 Å)
Cite:Biochemical and Structural Analysis of Common Cancer-Associated KRAS Mutations.
Mol Cancer Res., 13, 2015
8RZV
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BU of 8rzv by Molmil
Structure of UP1 S4ES6E phosphomimetic mutant in complex with human telomeric repeat DNA
Descriptor: DNA (5'-D(P*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-02-13
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structure of UP1 S4ES6E phosphomimetic mutant in complex with human telomeric repeat DNA
To Be Published
6VLT
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BU of 6vlt by Molmil
Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan
Descriptor: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2C9, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Shah, M.B.
Deposit date:2020-01-25
Release date:2020-09-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Structure of Cytochrome P450 2C9*2 in Complex with Losartan: Insights into the Effect of Genetic Polymorphism.
Mol.Pharmacol., 98, 2020
6IHX
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BU of 6ihx by Molmil
Crystal Structure Analysis of bovine Hemoglobin modified by SNP
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Kihira, K, Morita, Y, Yamada, T, Kureishi, M, Komatsu, T.
Deposit date:2018-10-03
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Quaternary Structure Analysis of a Hemoglobin Core in Hemoglobin-Albumin Cluster.
J Phys Chem B, 122, 2018
8BJT
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BU of 8bjt by Molmil
Structure of human PLK1 in complex with 2-Allyl-1-[6-(1-hydroxy-1-methyl-ethyl)-pyridin-2-yl]-6-[4-(4-methyl-piperazin-1-yl)-phenylamino]-1,2-dihydro-pyrazolo[3,4-d]pyrimidin-3-one
Descriptor: 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, ACETATE ION, Serine/threonine-protein kinase PLK1, ...
Authors:Musil, D, Liu-Bujalski, L.
Deposit date:2022-11-06
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.188 Å)
Cite:Selective Wee1 Inhibitors Led to Antitumor Activity In Vitro and Correlated with Myelosuppression.
Acs Med.Chem.Lett., 14, 2023
6VMJ
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BU of 6vmj by Molmil
Crystal structure of human Complement Factor D with anti-Factor D Fab 20D12
Descriptor: CITRIC ACID, Complement factor D, Fab20D12 Light Chain, ...
Authors:Wu, P, Harris, S.F, Eigenbrot, C.
Deposit date:2020-01-28
Release date:2021-02-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal structure of human Complement Factor D with anti-Factor D Fab 20D12
To Be Published
5FHW
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BU of 5fhw by Molmil
Hen Egg-White Lysozyme (HEWL) complexed with Hf(IV)-substituted Wells Dawson-type polyoxometalate
Descriptor: Dawson-type polyoxometalate, Lysozyme C, POTASSIUM ION
Authors:Vandebroek, L, De Zitter, E, Van Meervelt, L.
Deposit date:2015-12-22
Release date:2017-01-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structural Characterization of the Complex between Hen Egg- White Lysozyme and HfIV-Substituted Wells Dawson Polyoxometalate as Artificial Protease
To Be Published
8S1K
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BU of 8s1k by Molmil
Crystal Structure of human FABP4 in complex with 2-[1-(methoxymethyl)cyclopentyl]-6-pentyl-4-phenyl-3-(1H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
Descriptor: (6~{S})-2-[1-(methoxymethyl)cyclopentyl]-6-pentyl-4-phenyl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ...
Authors:Ehler, A, Benz, J, Obst-Sander, U, Rudolph, M.G.
Deposit date:2024-02-15
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Crystal Structure of a human FABP4 complex
To be published
4TT5
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BU of 4tt5 by Molmil
Crystal Structure of CYP119 from Sulfolobus acidocaldarius, complexed with 4-(4-bromophenyl)-1H imidazole
Descriptor: 4-(4-bromophenyl)-1H-imidazole, Cytochrome P450 119, GLYCEROL, ...
Authors:Madrona, Y.
Deposit date:2014-06-19
Release date:2015-02-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:NMR and X-ray Analysis of CYP119 ligand-dependent conformational changes
To Be Published
6IRJ
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BU of 6irj by Molmil
Crystal structure of lysozyme by fixed-target serial femtosecond crystallography
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Nam, K.H.
Deposit date:2018-11-13
Release date:2019-05-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Nylon mesh-based sample holder for fixed-target serial femtosecond crystallography.
Sci Rep, 9, 2019
4TTD
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BU of 4ttd by Molmil
Structure of a lysozyme antibody complex
Descriptor: FAb Heavy Chain, FAb Light Chain, Lysozyme C
Authors:Wensley, B.
Deposit date:2014-06-20
Release date:2015-07-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure of a lysozyme antibody complex
To Be Published
4TU8
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BU of 4tu8 by Molmil
STRUCTURE OF U2AF65 VARIANT WITH BRU5A6 DNA
Descriptor: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, DNA (5'-D(*UP*UP*UP*UP*(BRU)P*DA*U)-3'), ...
Authors:MCLAUGHLIN, K.J, JENKINS, J.L, Agrawal, A.A, KIELKOPF, C.L.
Deposit date:2014-06-24
Release date:2014-11-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.918 Å)
Cite:Structure-guided U2AF65 variant improves recognition and splicing of a defective pre-mRNA.
Proc.Natl.Acad.Sci.USA, 111, 2014
6VPI
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BU of 6vpi by Molmil
TPX2 residues 7-20 fused to Aurora A residues 116-389 C247V + D256N + C319V triple mutant disulfide homodimer in complex with AMP-PNP
Descriptor: MAGNESIUM ION, MALONIC ACID, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Lim, D.C, Yaffe, M.B.
Deposit date:2020-02-03
Release date:2020-08-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Redox priming promotes Aurora A activation during mitosis.
Sci.Signal., 13, 2020
6VRE
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BU of 6vre by Molmil
Structure of ASK1 bound to BIO-1772961
Descriptor: 3-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-1-(pyrazin-2-yl)-1H-pyrazole-4-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase kinase kinase 5
Authors:Chodaparambil, J.V, Marcotte, D.J.
Deposit date:2020-02-07
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Discovery of CNS-Penetrant Apoptosis Signal-Regulating Kinase 1 (ASK1) Inhibitors.
Acs Med.Chem.Lett., 11, 2020
4RLK
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BU of 4rlk by Molmil
Crystal structure of Z. mays CK2alpha in complex with the ATP-competitive inhibitor 4-[(E)-(fluoren-9-ylidenehydrazinylidene)-methyl] benzoate
Descriptor: 4-[(E)-(9H-fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid, ACETATE ION, Casein kinase II subunit alpha, ...
Authors:Guerra, B, Rasmussen, T.D.L, Schnitzler, A, Jensen, H.H, Boldyreff, B.S, Miyata, Y, Marcussen, N, Niefind, K, Issinger, O.G.
Deposit date:2014-10-17
Release date:2014-12-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Protein kinase CK2 inhibition is associated with the destabilization of HIF-1 alpha in human cancer cells.
Cancer Lett, 356, 2015
4RLV
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BU of 4rlv by Molmil
Crystal Structure of AnkB 24 Ankyrin Repeats in Complex with AnkR Autoinhibition Segment
Descriptor: Ankyrin-1, Ankyrin-2, SULFATE ION
Authors:Wei, Z, Wang, C, Zhang, M.
Deposit date:2014-10-18
Release date:2014-11-26
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.4945 Å)
Cite:Structural basis of diverse membrane target recognitions by ankyrins.
Elife, 3, 2014
6IOM
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BU of 6iom by Molmil
Crystal structure of human C4.4A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ly6/PLAUR domain-containing protein 3
Authors:Huang, M.D, Jiang, Y.B, Yuan, C, Lin, L.
Deposit date:2018-10-30
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.594 Å)
Cite:Crystal Structures of Human C4.4A Reveal the Unique Association of Ly6/uPAR/alpha-neurotoxin Domain
Int J Biol Sci, 16, 2020
4RLY
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BU of 4rly by Molmil
Crystal Structure of AnkB Ankyrin Repeats (R1-R9) in Complex with Nav1.2 Ankyrin Binding Domain
Descriptor: Nav1.2 - AnkB chimera, SULFATE ION
Authors:Wei, Z, Wang, C, Zhang, M.
Deposit date:2014-10-18
Release date:2014-11-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5032 Å)
Cite:Structural basis of diverse membrane target recognitions by ankyrins.
Elife, 3, 2014
6IP9
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BU of 6ip9 by Molmil
Crystal Structure of Lanthanum ion (La3+) bound bovine alpha-lactalbumin
Descriptor: Alpha-lactalbumin, GLYCEROL, LANTHANUM (III) ION, ...
Authors:Prakash, P, Yarramala, S.D, Rao, C.P, Bhaumik, P.
Deposit date:2018-11-02
Release date:2019-02-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Cytotoxicity of apo bovine alpha-lactalbumin complexed with La3+on cancer cells supported by its high resolution crystal structure.
Sci Rep, 9, 2019
5FWC
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BU of 5fwc by Molmil
Human Spectrin SH3 domain D48G, E7A, K60A
Descriptor: 1,2-ETHANEDIOL, AMMONIUM ION, SPECTRIN ALPHA CHAIN, ...
Authors:Gallego, P, Navarro, S, Ventura, S, Reverter, D.
Deposit date:2016-02-12
Release date:2016-12-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Human Spectrin SH3 Domain D48G, E7A, K60A
To be Published
8BJU
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BU of 8bju by Molmil
HUMAN WEE1 KINASE IN COMPLEX WITH INHIBITOR 1-[6-(1-Hydroxy-1-methyl-ethyl)-pyridin-2-yl]-2-(2-methoxy-phenyl)-6-[4-(4-methyl-piperazin-1-yl)-phenylamino]-1,2-dihydro-pyrazolo[3,4-d]pyrimidin-3-one
Descriptor: 2-(2-methoxyphenyl)-6-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1-[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]pyrazolo[3,4-d]pyrimidin-3-one, Wee1-like protein kinase
Authors:Musil, D, Lan, R.
Deposit date:2022-11-06
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Selective Wee1 Inhibitors Led to Antitumor Activity In Vitro and Correlated with Myelosuppression.
Acs Med.Chem.Lett., 14, 2023
6VJX
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BU of 6vjx by Molmil
The crystal structure of 4-isobutylbenzoic acid-bound CYP199A4
Descriptor: 4-(2-methylpropyl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Doherty, Z.D, Bell, S.G, Bruning, J.
Deposit date:2020-01-18
Release date:2021-01-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.788 Å)
Cite:The crystal structure of 4-isobutylbenzoic acid-bound CYP199A4
To Be Published
5FYG
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BU of 5fyg by Molmil
Structure of CYP153A from Marinobacter aquaeolei in complex with hydroxydodecanoic acid
Descriptor: 12-HYDROXYDODECANOIC ACID, CYTOCHROME P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Danesh-Azari, H.-R, Spandolf, C, Hoffman, S.M, Weissenborn, M, Hauer, B, Grogan, G.
Deposit date:2016-03-07
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structure-Guided Redesign of CYP153AM.aqfor the Improved Terminal Hydroxylation of Fatty Acids
Chemcatchem, 2016

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