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8R8D
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BU of 8r8d by Molmil
Cryo-EM structure of coagulation factor beta-XIIa in complex with the garadacimab Fab fragment (symmetric dimer)
Descriptor: Coagulation factor XII, Garadacimab heavy chain variable region, Garadacimab light chain variable region, ...
Authors:Drulyte, I.
Deposit date:2023-11-29
Release date:2023-12-13
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural basis for the inhibition of beta FXIIa by garadacimab.
Structure, 2024
4QTI
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BU of 4qti by Molmil
Crystal structure of human uPAR in complex with anti-uPAR Fab 8B12
Descriptor: Urokinase plasminogen activator surface receptor, anti-uPAR antibody, heavy chain, ...
Authors:Zhao, B, Yuan, C, Luo, Z, Huang, M.
Deposit date:2014-07-08
Release date:2015-02-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Stabilizing a flexible interdomain hinge region harboring the SMB binding site drives uPAR into its closed conformation.
J.Mol.Biol., 427, 2015
7A2J
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BU of 7a2j by Molmil
Crystal structure of the Fyn SH3 domain in space group C21 at pH 7.5
Descriptor: SODIUM ION, Tyrosine-protein kinase Fyn
Authors:Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
Deposit date:2020-08-18
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the Fyn SH3 domain in space group C21 at pH 7.5
To be published
6I40
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BU of 6i40 by Molmil
Crystal structure of murine neuroglobin bound to CO at 15K under illumination using optical fiber
Descriptor: ACETATE ION, CARBON MONOXIDE, FORMIC ACID, ...
Authors:Savino, C, Montemiglio, L.C, Ardiccioni, C, Exertier, C, Vallone, B.
Deposit date:2018-11-08
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ligand pathways in neuroglobin revealed by low-temperature photodissociation and docking experiments.
Iucrj, 6, 2019
7A2V
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BU of 7a2v by Molmil
Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E129Q at pH 4.0
Descriptor: Tyrosine-protein kinase Fyn
Authors:Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
Deposit date:2020-08-18
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E129Q at pH 4.0
To be published
6IAO
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BU of 6iao by Molmil
Structure of Cytochrome P450 BM3 M11 mutant in complex with DTT at resolution 2.16A
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Bifunctional cytochrome P450/NADPH--P450 reductase, CHLORIDE ION, ...
Authors:Mirza, O, Rafiq, M, Frydenvang, K.
Deposit date:2018-11-27
Release date:2019-06-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structural analysis of Cytochrome P450 BM3 mutant M11 in complex with dithiothreitol.
Plos One, 14, 2019
7A37
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BU of 7a37 by Molmil
Crystal structure of the c-Src SH3 domain mutant V111L-N113S-T114S in 3 M urea
Descriptor: Proto-oncogene tyrosine-protein kinase Src, UREA
Authors:Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
Deposit date:2020-08-18
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Crystal structure of the c-Src SH3 domain mutant V111L-N113S-T114S in 3 M urea
To be published
7A2Q
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BU of 7a2q by Molmil
Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant at pH 3.0 with PEG
Descriptor: SULFATE ION, TETRAETHYLENE GLYCOL, Tyrosine-protein kinase Fyn
Authors:Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
Deposit date:2020-08-18
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.94 Å)
Cite:Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant at pH 3.0 with PEG
To be published
7A33
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BU of 7a33 by Molmil
Crystal structure of the c-Src SH3 domain mutant S94A-T98D-V111L-N113S-T114S at pH 3.0
Descriptor: FORMIC ACID, Proto-oncogene tyrosine-protein kinase Src, SODIUM ION
Authors:Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
Deposit date:2020-08-18
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Crystal structure of the c-Src SH3 domain mutant S94A-T98D-V111L-N113S-T114S at pH 3.0
To be published
7A2W
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BU of 7a2w by Molmil
Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant in complex with VSL12 at pH 3.0
Descriptor: CITRIC ACID, Tyrosine-protein kinase Fyn, VSL12
Authors:Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
Deposit date:2020-08-18
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant in complex with VSL12 at pH 3.0
To be published
7A3A
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BU of 7a3a by Molmil
Intertwined dimer of the c-Src SH3 domain mutant V111L-N113S-T114S-Q128E at pH 6.0
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Proto-oncogene tyrosine-protein kinase Src, ...
Authors:Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
Deposit date:2020-08-18
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Intertwined dimer of the c-Src SH3 domain mutant V111L-N113S-T114S-Q128E at pH 6.0
To be published
6I5H
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BU of 6i5h by Molmil
Crystal structure of CLK1 in complex with furanopyrimidin VN412
Descriptor: 1,2-ETHANEDIOL, 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine, Dual specificity protein kinase CLK1, ...
Authors:Schroeder, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2018-11-13
Release date:2019-01-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway.
Angew. Chem. Int. Ed. Engl., 58, 2019
7AAQ
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BU of 7aaq by Molmil
sugar/H+ symporter STP10 in outward occluded conformation
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, ACETATE ION, ...
Authors:Bavnhoej, L, Paulsen, P.A, Pedersen, B.P.
Deposit date:2020-09-04
Release date:2021-08-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Molecular mechanism of sugar transport in plants unveiled by structures of glucose/H + symporter STP10.
Nat.Plants, 7, 2021
7A2P
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BU of 7a2p by Molmil
Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant at pH 5.0 with PEG
Descriptor: TRIETHYLENE GLYCOL, Tyrosine-protein kinase Fyn
Authors:Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
Deposit date:2020-08-18
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant at pH 5.0 with PEG
To be published
8AFC
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BU of 8afc by Molmil
CRYSTAL STRUCTURE OF KRAS-G12C IN COMPLEX WITH COMPOUND 12
Descriptor: 2-azanyl-4,4-dimethyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Boettcher, J, Kessler, D.
Deposit date:2022-07-16
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor.
J.Med.Chem., 65, 2022
8AFB
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BU of 8afb by Molmil
CRYSTAL STRUCTURE OF KRAS-G12C IN COMPLEX WITH COMPOUND 23 (BI-0474)
Descriptor: (4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Boettcher, J, Kessler, D.
Deposit date:2022-07-16
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor.
J.Med.Chem., 65, 2022
4R5J
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BU of 4r5j by Molmil
Crystal structure of the DnaK C-terminus (Dnak-SBD-A)
Descriptor: CALCIUM ION, Chaperone protein DnaK, PHOSPHATE ION
Authors:Leu, J.I, Zhang, P, Murphy, M.E, Marmorstein, R, George, D.L.
Deposit date:2014-08-21
Release date:2014-09-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.361 Å)
Cite:Structural Basis for the Inhibition of HSP70 and DnaK Chaperones by Small-Molecule Targeting of a C-Terminal Allosteric Pocket.
Acs Chem.Biol., 9, 2014
6I1C
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BU of 6i1c by Molmil
Crystal structure of Chlamydomonas reinhardtii thioredoxin f2
Descriptor: thioredoxin f2
Authors:Lemaire, S.D, Tedesco, D, Crozet, P, Michelet, L, Fermani, S, Zaffagnini, M, Henri, J.
Deposit date:2018-10-28
Release date:2018-12-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal Structure of Chloroplastic Thioredoxin f2 fromChlamydomonas reinhardtiiReveals Distinct Surface Properties.
Antioxidants (Basel), 7, 2018
7A2N
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BU of 7a2n by Molmil
Crystal structure of the Fyn SH3 domain A95S-D99T mutant in space group P21
Descriptor: FORMIC ACID, SODIUM ION, Tyrosine-protein kinase Fyn
Authors:Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
Deposit date:2020-08-18
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of the Fyn SH3 domain A95S-D99T mutant in space group P21
To be published
7A2M
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BU of 7a2m by Molmil
Crystal structure of the Fyn SH3 domain A95S-D99T mutant in C21 space group
Descriptor: FORMIC ACID, SODIUM ION, SULFATE ION, ...
Authors:Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
Deposit date:2020-08-18
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the Fyn SH3 domain A95S-D99T mutant in C21 space group
To be published
6U7P
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BU of 6u7p by Molmil
HIV-1 wild type protease with GRL-03119A, with phenyl-boronic-acid as P2'-ligand and with a hexahydro-4H-furo-pyran as the P2-ligand
Descriptor: CHLORIDE ION, FORMIC ACID, GLYCEROL, ...
Authors:Wang, Y.-F, Kneller, D.W, Weber, I.T.
Deposit date:2019-09-03
Release date:2019-10-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Potent HIV-1 Protease Inhibitors Containing Carboxylic and Boronic Acids: Effect on Enzyme Inhibition and Antiviral Activity and Protein-Ligand X-ray Structural Studies.
Chemmedchem, 14, 2019
6I2H
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BU of 6i2h by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp182 and RKp190
Descriptor: CHLORIDE ION, UPF0418 protein FAM164A, [2-[[2-(isoquinolin-5-ylsulfonylamino)ethylamino]methyl]phenyl]boronic acid, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2018-11-01
Release date:2019-11-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp182 and RKp190
To be published
7A2R
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BU of 7a2r by Molmil
Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant at pH 6.0
Descriptor: Tyrosine-protein kinase Fyn
Authors:Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
Deposit date:2020-08-18
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant at pH 6.0
To be published
8QOT
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BU of 8qot by Molmil
Structure of the mu opioid receptor bound to the antagonist nanobody NbE
Descriptor: Anti-Fab Nanobody, Mu-type opioid receptor, NabFab HC, ...
Authors:Yu, J, Kumar, A, Zhang, X, Martin, C, Raia, P, Manglik, A, Ballet, S, Boland, A, Stoeber, M.
Deposit date:2023-09-29
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural Basis of mu-Opioid Receptor-Targeting by a Nanobody Antagonist.
Biorxiv, 2023
4R2D
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BU of 4r2d by Molmil
Egr1/Zif268 zinc fingers in complex with formylated DNA
Descriptor: DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*(5FC)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5FC)P*GP*CP*CP*CP*AP*CP*GP*C)-3'), Early growth response protein 1, ...
Authors:Hashimoto, H, Olanrewaju, Y.O, Zheng, Y, Wilson, G.G, Zhang, X, Cheng, X.
Deposit date:2014-08-11
Release date:2014-10-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.088 Å)
Cite:Wilms tumor protein recognizes 5-carboxylcytosine within a specific DNA sequence.
Genes Dev., 28, 2014

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