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4PRJ
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BU of 4prj by Molmil
Aurora A kinase domain with compound 2 (N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide)
Descriptor: Aurora kinase A, N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2014-03-05
Release date:2014-07-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Property- and structure-guided discovery of a tetrahydroindazole series of interleukin-2 inducible T-cell kinase inhibitors.
J.Med.Chem., 57, 2014
5WPM
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BU of 5wpm by Molmil
KRas G12V, bound to GppNHp and miniprotein 225-11(A30R)
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Lee, S.-J, Shim, S.Y, McGee, J.H, Verdine, G.L.
Deposit date:2017-08-05
Release date:2018-01-03
Last modified:2018-03-14
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Exceptionally high-affinity Ras binders that remodel its effector domain.
J. Biol. Chem., 293, 2018
6L7K
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BU of 6l7k by Molmil
solution structure of hIFABP V60C/Y70C variant.
Descriptor: Fatty acid-binding protein, intestinal
Authors:Fan, J, Yang, D.
Deposit date:2019-11-01
Release date:2020-11-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Ligand Entry into Fatty Acid Binding Protein via Local Unfolding Instead of Gap Widening.
Biophys.J., 118, 2020
6ETC
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BU of 6etc by Molmil
Crystal Structure of Human gamma-D-crystallin Mutant P23T+R36S at 1.2 Angstroms Resolution
Descriptor: Gamma-crystallin D
Authors:Khan, A.R, McManus, J.
Deposit date:2017-10-26
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.197 Å)
Cite:Temperature-Dependent Interactions Explain Normal and Inverted Solubility in a gamma D-Crystallin Mutant.
Biophys.J., 117, 2019
5WIW
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BU of 5wiw by Molmil
Crystal structure of murine 4-1BB N128A mutant from HEK293T cells in P43 space group
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ...
Authors:Zajonc, D.M, Bitra, A.
Deposit date:2017-07-20
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of murine 4-1BB and its interaction with 4-1BBL support a role for galectin-9 in 4-1BB signaling.
J. Biol. Chem., 293, 2018
4PFP
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BU of 4pfp by Molmil
Myosin VI motor domain in the Pi release state (with Pi) space group P21
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Isabet, T, Benisty, H, Llinas, P, Sweeney, H.L, Houdusse, A.
Deposit date:2014-04-30
Release date:2015-04-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:How actin initiates the motor activity of Myosin.
Dev.Cell, 33, 2015
5WJK
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BU of 5wjk by Molmil
2.0-Angstrom In situ Mylar structure of sperm whale myoglobin (SWMb) at 293 K
Descriptor: CHLORIDE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Broecker, J, Ou, W.-L, Ernst, O.P.
Deposit date:2017-07-23
Release date:2017-12-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-throughput in situ X-ray screening of and data collection from protein crystals at room temperature and under cryogenic conditions.
Nat Protoc, 13, 2018
4PHF
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BU of 4phf by Molmil
Crystal structure of Ypt7 covalently modified with GDP
Descriptor: GTP-binding protein YPT7, MAGNESIUM ION, N-[3-(propanoylamino)propyl]guanosine 5'-(trihydrogen diphosphate), ...
Authors:Vieweg, S, Wiegandt, D, Hofmann, F, Koch, D, Wu, Y, Itzen, A, Mueller, M.P, Goody, R.S.
Deposit date:2014-05-06
Release date:2014-05-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Locking GTPases covalently in their functional states.
Nat Commun, 6, 2015
5WLO
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BU of 5wlo by Molmil
a novel 13-ring macrocyclic HIV-1 protease inhibitors involving the P1'-P2' ligands
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[(7E)-13-methoxy-1,1-dioxo-1,4,5,6,9,11-hexahydro-10,1lambda~6~,2-benzoxathiazacyclotridecin-2(3H)-yl]-1-phenylbutan-2-yl}carbamate, ACETATE ION, CHLORIDE ION, ...
Authors:Wang, Y.-F, Agniswamy, J, Weber, I.T.
Deposit date:2017-07-27
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Design, synthesis, X-ray studies, and biological evaluation of novel macrocyclic HIV-1 protease inhibitors involving the P1'-P2' ligands.
Bioorg. Med. Chem. Lett., 27, 2017
6EW2
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BU of 6ew2 by Molmil
Human myelin protein P2 F57A mutant, tetragonal crystal form
Descriptor: CHLORIDE ION, Myelin P2 protein, PALMITIC ACID
Authors:Laulumaa, S, Lehtimaki, M, Kursula, P.
Deposit date:2017-11-03
Release date:2018-07-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.588 Å)
Cite:Structure and dynamics of a human myelin protein P2 portal region mutant indicate opening of the beta barrel in fatty acid binding proteins.
BMC Struct. Biol., 18, 2018
6EW5
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BU of 6ew5 by Molmil
Human myelin protein P2 F57A mutant, monoclinic crystal form
Descriptor: Myelin P2 protein, PALMITIC ACID
Authors:Laulumaa, S, Lehtimaki, M, Kursula, P.
Deposit date:2017-11-03
Release date:2018-07-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure and dynamics of a human myelin protein P2 portal region mutant indicate opening of the beta barrel in fatty acid binding proteins.
BMC Struct. Biol., 18, 2018
6C2I
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BU of 6c2i by Molmil
Structure of Bace-1 (Beta-Secretase) in complex with : N-(3-((1R,5S,6R)-3-amino-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-5-methoxypyrazine-2-carboxamide
Descriptor: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
Authors:Sickmier, E.A.
Deposit date:2018-01-08
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Diastereoselective synthesis of fused cyclopropyl-3-amino-2,4-oxazine beta-amyloid cleaving enzyme (BACE) inhibitors and their biological evaluation.
Bioorg. Med. Chem. Lett., 28, 2018
4PJN
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BU of 4pjn by Molmil
Myosin VI motor domain in the Pi release state, space group P212121 - shortly soaked with PO4
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Isabet, T, Benisty, H, Llinas, P, Sweeney, H.L, Houdusse, A.
Deposit date:2014-05-12
Release date:2015-04-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:How actin initiates the motor activity of Myosin.
Dev.Cell, 33, 2015
6C2R
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BU of 6c2r by Molmil
Aurora A ligand complex
Descriptor: (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-({3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridin-2-yl}methyl)-2-methylpiperidine-4-carboxylic acid, Aurora kinase A, SULFATE ION
Authors:Antonysamy, S, Pustilnik, A, Manglicmot, D, Froning, K, Weichert, K, Wasserman, S.
Deposit date:2018-01-08
Release date:2019-01-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Aurora A Kinase Inhibition Is Synthetic Lethal with Loss of theRB1Tumor Suppressor Gene.
Cancer Discov, 9, 2019
6F8C
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BU of 6f8c by Molmil
Crystal structure of cytochrome P450 CYP260A1 (S276I) bound with progesterone
Descriptor: Cytochrome P450 CYP260A1, PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jozwik, I.K, Thunnissen, A.M.W.H.
Deposit date:2017-12-12
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Based Engineering of Steroidogenic CYP260A1 for Stereo- and Regioselective Hydroxylation of Progesterone.
ACS Chem. Biol., 13, 2018
6C40
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BU of 6c40 by Molmil
CheY41PyTyrD54K from Thermotoga maritima
Descriptor: COPPER (II) ION, Chemotaxis protein CheY
Authors:Merz, G.E, Muok, A.R, Crane, B.R.
Deposit date:2018-01-11
Release date:2018-10-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Site-Specific Incorporation of a Cu2+Spin Label into Proteins for Measuring Distances by Pulsed Dipolar Electron Spin Resonance Spectroscopy.
J Phys Chem B, 122, 2018
6FAD
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BU of 6fad by Molmil
SR protein kinase 1 (SRPK1) in complex with the RGG-box of HSV1 ICP27
Descriptor: PHOSPHATE ION, SRSF protein kinase 1, mRNA export factor
Authors:Tunnicliffe, R.B, Levy, C, Mould, A.P, Mckenzie, E.A, Sandri-Goldin, R.M, Golovanov, A.P.
Deposit date:2017-12-15
Release date:2019-09-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Molecular Mechanism of SR Protein Kinase 1 Inhibition by the Herpes Virus Protein ICP27.
Mbio, 10, 2019
6LOG
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BU of 6log by Molmil
Crystal structure of human CCL5-12AAA14 mutant
Descriptor: C-C motif chemokine 5
Authors:Chen, Y.C, Li, J.Y, Huang, C.H, Sue, S.C.
Deposit date:2020-01-05
Release date:2020-03-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:N-terminal Backbone Pairing Shifts in CCL5- 12 AAA 14 Dimer Interface: Structural Significance of the FAY Sequence.
Int J Mol Sci, 21, 2020
5WNJ
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BU of 5wnj by Molmil
Crystal structure of murine receptor-interacting protein kinase 4 (Ripk4) D143N in complex with lestaurtinib
Descriptor: CHLORIDE ION, Lestaurtinib, Receptor-interacting serine/threonine-protein kinase 4
Authors:Huang, C.S, Hymowitz, S.G.
Deposit date:2017-08-01
Release date:2018-05-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal Structure of Ripk4 Reveals Dimerization-Dependent Kinase Activity.
Structure, 26, 2018
4POM
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BU of 4pom by Molmil
Crystal structures of thioredoxin with mesna at 1.85A resolution
Descriptor: 1-THIOETHANESULFONIC ACID, Thioredoxin
Authors:Sridhar, V, Chie-Leon, B, Badger, J, Nienaber, V.L, Hausheer, F.H.
Deposit date:2014-02-26
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:BNP7787 Forms Novel Covalent Adducts on Human Thioredoxin and Modulates Thioredoxin Activity
J Pharmacol Clin Toxicol, 2, 2014
6ETP
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BU of 6etp by Molmil
Atomic resolution structure of RNase A (data collection 6)
Descriptor: ISOPROPYL ALCOHOL, Ribonuclease pancreatic
Authors:Caterino, M, Vergara, A, Merlino, A.
Deposit date:2017-10-27
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Raman-markers of X-ray radiation damage of proteins.
Int. J. Biol. Macromol., 111, 2018
7O0K
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BU of 7o0k by Molmil
Crystal structure of recombinant chichen liver Bile Acid Binding Protein (cL-BABP) in complex with cholic acid
Descriptor: CHOLIC ACID, Fatty acid-binding protein, liver
Authors:Tassone, G, Pozzi, C.
Deposit date:2021-03-26
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Validation of Recombinant Chicken Liver Bile Acid Binding Protein as a Tool for Cholic Acid Hosting.
Biomolecules, 11, 2021
6ETK
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BU of 6etk by Molmil
Atomic resolution structure of RNase A (data collection 1)
Descriptor: ISOPROPYL ALCOHOL, Ribonuclease pancreatic
Authors:Caterino, M, Vergara, A, Merlino, A.
Deposit date:2017-10-27
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Raman-markers of X-ray radiation damage of proteins.
Int. J. Biol. Macromol., 111, 2018
7O0J
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BU of 7o0j by Molmil
High resolution structure of recombinant chichen liver Bile Acid Binding Protein (cL-BABP)
Descriptor: Fatty acid-binding protein, liver
Authors:Tassone, G, Pozzi, C.
Deposit date:2021-03-26
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Validation of Recombinant Chicken Liver Bile Acid Binding Protein as a Tool for Cholic Acid Hosting.
Biomolecules, 11, 2021
6ETQ
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BU of 6etq by Molmil
Atomic resolution structure of RNase A (data collection 7)
Descriptor: ISOPROPYL ALCOHOL, Ribonuclease pancreatic
Authors:Caterino, M, Vergara, A, Merlino, A.
Deposit date:2017-10-27
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Raman-markers of X-ray radiation damage of proteins.
Int. J. Biol. Macromol., 111, 2018

223532

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