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5N8M
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BU of 5n8m by Molmil
Structure of TRBP dsRBD 1 and 2 in complex with a 19 bp siRNA (Complex A)
Descriptor: RISC-loading complex subunit TARBP2, RNA (5'-R(*GP*UP*AP*CP*GP*GP*AP*AP*UP*AP*GP*AP*UP*AP*AP*UP*UP*AP*AP*UP*U)-3'), RNA (5'-R(*UP*UP*AP*AP*UP*UP*AP*UP*CP*UP*AP*UP*UP*CP*CP*GP*UP*AP*CP*UP*U)-3')
Authors:Masliah, G, Maris, C, Allain, H.-T.F.
Deposit date:2017-02-23
Release date:2018-02-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis of siRNA recognition by TRBP double-stranded RNA binding domains.
EMBO J., 37, 2018
8JPS
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BU of 8jps by Molmil
Structure of Duffy Antigen Receptor for Chemokines (DARC)/ACKR1 in complex with the chemokine, CCL7 (Composite map)
Descriptor: Atypical chemokine receptor 1, C-C motif chemokine 7
Authors:Banerjee, R, Khanppnavar, B, Maharana, J, Saha, S, Korkhov, V.M, Shukla, A.K.
Deposit date:2023-06-12
Release date:2024-07-31
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:Molecular mechanism of distinct chemokine engagement and functional divergence of the human Duffy antigen receptor.
Cell, 187, 2024
7JMM
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BU of 7jmm by Molmil
Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RAKNIILLSR
Descriptor: Alkaline phosphatase, Chaperone protein DnaK, SULFATE ION
Authors:Jansen, R.M, Ozden, C, Gierasch, L.M, Garman, S.C.
Deposit date:2020-08-02
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Selective promiscuity in the binding of E. coli Hsp70 to an unfolded protein.
Proc.Natl.Acad.Sci.USA, 118, 2021
7JMU
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BU of 7jmu by Molmil
Hen egg-white lysozyme with ionic liquid ethylammonium nitrate
Descriptor: Lysozyme C, NITRATE ION
Authors:Han, Q, Darmanin, C, Smith, K, Greaves, T, Drummond, C.
Deposit date:2020-08-02
Release date:2020-11-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Lysozyme conformational changes with ionic liquids: Spectroscopic, small angle x-ray scattering and crystallographic study.
J Colloid Interface Sci, 585, 2021
8K8M
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BU of 8k8m by Molmil
Crystallographic structure of Lysozyme C from chicken
Descriptor: GLYCEROL, Lysozyme C
Authors:Zheng, P, Shang, G, Jin, J, He, L.
Deposit date:2023-07-31
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallographic structure of Lysozyme C from chicken
To Be Published
7JN8
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BU of 7jn8 by Molmil
Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RGNTLVIVSR
Descriptor: Alkaline phosphatase peptide, Chaperone protein DnaK, SULFATE ION
Authors:Jansen, R.M, Ozden, C, Gierasch, L.M, Garman, S.C.
Deposit date:2020-08-04
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Selective promiscuity in the binding of E. coli Hsp70 to an unfolded protein.
Proc.Natl.Acad.Sci.USA, 118, 2021
5NBJ
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BU of 5nbj by Molmil
DLS Tetragonal - ReHEWL
Descriptor: CHLORIDE ION, Lysozyme C, RHENIUM, ...
Authors:Brink, A, Helliwell, J.R.
Deposit date:2017-03-02
Release date:2017-05-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.266 Å)
Cite:New leads for fragment-based design of rhenium/technetium radiopharmaceutical agents.
IUCrJ, 4, 2017
5NCW
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BU of 5ncw by Molmil
Structure of the trypsin induced serpin-type proteinase inhibitor, miropin (V367K/K368A mutant).
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Goulas, T, Ksiazek, M, Garcia-Ferrer, I, Mizgalska, D, Potempa, J, Gomis-Ruth, X.
Deposit date:2017-03-06
Release date:2017-05-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A structure-derived snap-trap mechanism of a multispecific serpin from the dysbiotic human oral microbiome.
J. Biol. Chem., 292, 2017
5NOJ
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BU of 5noj by Molmil
Ca2+-induced Movement of Tropomyosin on Native Cardiac Thin Filaments - "OPEN" state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Risi, C, Eisner, J, Belknap, B, Heeley, D.H, White, H.D, Schroeder, G.F, Galkin, V.E.
Deposit date:2017-04-12
Release date:2017-08-02
Last modified:2017-08-09
Method:ELECTRON MICROSCOPY (11 Å)
Cite:Ca(2+)-induced movement of tropomyosin on native cardiac thin filaments revealed by cryoelectron microscopy.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5NP5
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BU of 5np5 by Molmil
Abl2 SH3 pTyr116/161
Descriptor: Abelson tyrosine-protein kinase 2, SULFATE ION
Authors:Mero, B, Radnai, L, Gogl, G, Leveles, I, Buday, L.
Deposit date:2017-04-13
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural insights into the tyrosine phosphorylation-mediated inhibition of SH3 domain-ligand interactions.
J.Biol.Chem., 294, 2019
7JXZ
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BU of 7jxz by Molmil
Structure of HbA with compound (S)-4
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine, CARBON MONOXIDE, ...
Authors:Jasti, J.
Deposit date:2020-08-28
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
5L3L
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BU of 5l3l by Molmil
D11 bound IGF-II
Descriptor: Insulin-like growth factor II
Authors:Hexnerova, R.
Deposit date:2016-05-23
Release date:2016-08-10
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Probing Receptor Specificity by Sampling the Conformational Space of the Insulin-like Growth Factor II C-domain.
J.Biol.Chem., 291, 2016
5L3M
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BU of 5l3m by Molmil
D11 bound [S39_PQ]-IGF-II
Descriptor: Insulin-like growth factor II
Authors:Hexnerova, R.
Deposit date:2016-05-23
Release date:2016-08-10
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Probing Receptor Specificity by Sampling the Conformational Space of the Insulin-like Growth Factor II C-domain.
J.Biol.Chem., 291, 2016
5L7M
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BU of 5l7m by Molmil
Murin CXCL13 solution structure
Descriptor: C-X-C motif chemokine 13
Authors:Monneau, Y.R, Lortat-Jacob, H.
Deposit date:2016-06-03
Release date:2017-06-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure of CXCL13 and heparan sulfate binding show that GAG binding site and cellular signalling rely on distinct domains.
Open Biol, 7, 2017
5L3N
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BU of 5l3n by Molmil
D11 bound [N29, S39_PQ]-IGF-II
Descriptor: Insulin-like growth factor II
Authors:Hexnerova, R.
Deposit date:2016-05-23
Release date:2016-08-10
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Probing Receptor Specificity by Sampling the Conformational Space of the Insulin-like Growth Factor II C-domain.
J.Biol.Chem., 291, 2016
8JJS
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BU of 8jjs by Molmil
Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP10343
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAA-ILE-SAR-SAR-7T2-SAR-IAE-LEU-MEA-MLE-7TK, ...
Authors:Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T.
Deposit date:2023-05-31
Release date:2023-07-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.534 Å)
Cite:Development of Orally Bioavailable Peptides Targeting an Intracellular Protein: From a Hit to a Clinical KRAS Inhibitor.
J.Am.Chem.Soc., 145, 2023
7JN1
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BU of 7jn1 by Molmil
Sheep Connexin-46 at 2.5 angstroms resolution, Lipid Class 3
Descriptor: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction alpha-3 protein
Authors:Flores, J.A, Haddad, B.G, Dolan, K.D, Myers, J.B, Yoshioka, C.C, Copperman, J, Zuckerman, D.M, Reichow, S.L.
Deposit date:2020-08-03
Release date:2020-09-09
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Connexin-46/50 in a dynamic lipid environment resolved by CryoEM at 1.9 angstrom.
Nat Commun, 11, 2020
5LFT
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BU of 5lft by Molmil
Crystal structure of cytochrome c - Bromo-trisulfonatocalix[4]arene complexes
Descriptor: BROMIDE ION, Bromo-trisulfonatocalix[4]arene, Cytochrome c iso-1, ...
Authors:Doolan, A.M, Rennie, M.L, Crowley, P.B.
Deposit date:2016-07-04
Release date:2017-07-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.249 Å)
Cite:Protein Recognition by Functionalized Sulfonatocalix[4]arenes.
Chemistry, 24, 2018
8KFH
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BU of 8kfh by Molmil
Crystal structure of sperm whale myoglobin reconstituted with manganese porphycene
Descriptor: Myoglobin, PORPHYCENE CONTAINING MN, SULFATE ION
Authors:Mizohata, E, Oohora, K, Hayashi, T.
Deposit date:2023-08-15
Release date:2024-08-21
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Rational Design of an Artificial Ethylbenzene Hydroxylase Using Molecular Dynamics Simulation to Enhance the Enantioselectivity
To Be Published
5LIE
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BU of 5lie by Molmil
Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with imidazole
Descriptor: IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126
Authors:Levy, C, Munro, A.W, Leys, D.
Deposit date:2016-07-14
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1.
J. Biol. Chem., 292, 2017
5LJC
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BU of 5ljc by Molmil
Crystal structure of holo human CRBP1
Descriptor: RETINOL, Retinol-binding protein 1, SODIUM ION
Authors:Zanotti, G, Vallese, F, Berni, R, Menozzi, I.
Deposit date:2016-07-18
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.433 Å)
Cite:Structural and molecular determinants affecting the interaction of retinol with human CRBP1.
J. Struct. Biol., 197, 2017
5LJH
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BU of 5ljh by Molmil
Crystal structure of human apo CRBP1/K40L mutant
Descriptor: Retinol-binding protein 1, SODIUM ION
Authors:Zanotti, G, Vallese, F, Berni, R, Menozzi, I.
Deposit date:2016-07-18
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structural and molecular determinants affecting the interaction of retinol with human CRBP1.
J. Struct. Biol., 197, 2017
5LH4
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BU of 5lh4 by Molmil
Trypsin inhibitors for the treatment of pancreatitis - cpd 1
Descriptor: (2~{S},4~{S})-1-[4-(aminomethyl)phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{N}-(2,2-diphenylethyl)pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ...
Authors:Schiering, N, D'Arcy, A, Skaanderup, P, Simic, O, Brandl, T, Woelcke, J.
Deposit date:2016-07-08
Release date:2018-01-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Trypsin inhibitors for the treatment of pancreatitis.
Bioorg. Med. Chem. Lett., 26, 2016
8KDU
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BU of 8kdu by Molmil
Crystal structure of trypsin with its substrate
Descriptor: (2~{R})-2-benzamido-5-carbamimidamido-pentanoic acid, ARGININE, CALCIUM ION, ...
Authors:Akbar, Z, Ahmad, M.S.
Deposit date:2023-08-10
Release date:2024-08-14
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the Michaelis complex of trypsin with N-alpha-benzoyl-l-arginine ethyl ester
J Chin Chem Soc, n/a, 2024
8KFJ
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BU of 8kfj by Molmil
Crystal structure of sperm whale myoglobin (F46L/H64A mutant) reconstituted with manganese porphycene
Descriptor: CHLORIDE ION, Myoglobin, PORPHYCENE CONTAINING MN, ...
Authors:Mizohata, E, Oohora, K, Hayashi, T.
Deposit date:2023-08-15
Release date:2024-08-21
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational Design of an Artificial Ethylbenzene Hydroxylase Using Molecular Dynamics Simulation to Enhance the Enantioselectivity
To Be Published

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