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5JNB
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BU of 5jnb by Molmil
structure of GLD-2/RNP-8 complex
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Poly(A) RNA polymerase gld-2, ...
Authors:Nakel, K, Bonneau, F, Basquin, C, Eckmann, C.R, Conti, E.
Deposit date:2016-04-29
Release date:2016-06-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.486 Å)
Cite:Structural basis for the antagonistic roles of RNP-8 and GLD-3 in GLD-2 poly(A)-polymerase activity.
Rna, 22, 2016
6OP9
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BU of 6op9 by Molmil
HER3 pseudokinase domain bound to bosutinib
Descriptor: 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Receptor tyrosine-protein kinase erbB-3
Authors:Littlefield, P, Agnew, C, Jura, N.
Deposit date:2019-04-24
Release date:2019-08-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Targetable HER3 functions driving tumorigenic signaling in HER2-amplified cancers.
Cell Rep, 38, 2022
7RLV
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BU of 7rlv by Molmil
Antibody 2F2 in complex with P. vivax CSP peptide GDRADGQPAGDRADGQPA
Descriptor: 1,2-ETHANEDIOL, 2F2 Fab heavy chain, 2F2 Fab light chain, ...
Authors:Kucharska, I, Julien, J.P.
Deposit date:2021-07-26
Release date:2022-01-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of Plasmodium vivax inhibition by antibodies binding to the circumsporozoite protein repeats.
Elife, 11, 2022
9MJ3
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BU of 9mj3 by Molmil
Crystal structure of the VRC01-class antibody 12A01, derived from GT1.1 vaccination, in complex with eOD-GT8
Descriptor: 12A01 Fab heavy chain, 12A01 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Agrawal, S, Wilson, I.A.
Deposit date:2024-12-13
Release date:2025-05-28
Last modified:2025-08-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Precise targeting of HIV broadly neutralizing antibody precursors in humans.
Science, 389, 2025
8UNP
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BU of 8unp by Molmil
CryoEM structure of beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (Class E)
Descriptor: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Papasergi-Scott, M.M, Skiniotis, G.
Deposit date:2023-10-19
Release date:2024-03-06
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
5JDG
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BU of 5jdg by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 2.5 mM Na+ and 0.1mM Ca2+
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
Deposit date:2016-04-16
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.407 Å)
Cite:Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016
8P78
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BU of 8p78 by Molmil
Cryo-EM structure of CAK in complex with inhibitor dinaciclib
Descriptor: 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, CDK-activating kinase assembly factor MAT1, Cyclin-H, ...
Authors:Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J.
Deposit date:2023-05-30
Release date:2024-03-20
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (1.9 Å)
Cite:High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
6TS9
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BU of 6ts9 by Molmil
Crystal structure of GES-5 carbapenemase
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, Beta-lactamase, ...
Authors:Maso, L, Tondi, D, Klein, R, Montanari, M, Bellio, C, Celenza, G, Brenk, R, Cendron, L.
Deposit date:2019-12-20
Release date:2020-03-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Targeting the Class A Carbapenemase GES-5 via Virtual Screening.
Biomolecules, 10, 2020
6QTJ
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BU of 6qtj by Molmil
Crystal structure of human CDK8/CYCC in complex with BI 919811
Descriptor: Cyclin-C, Cyclin-dependent kinase 8, ~{N},~{N}-dimethyl-2-[4-[4-(2,6-naphthyridin-4-yl)phenyl]pyrazol-1-yl]ethanamide
Authors:Boettcher, J.
Deposit date:2019-02-25
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance.
Mol.Cancer Ther., 19, 2020
5JDL
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BU of 5jdl by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 2.5 mM Na+ and 1mM Sr2+
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, PENTADECANE, ...
Authors:Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
Deposit date:2016-04-17
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.904 Å)
Cite:Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016
8PKC
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BU of 8pkc by Molmil
Structure of Api m1 in complex with the AM1-4 nanobody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, AM1-4 nanobody, Phospholipase A2
Authors:Aagaard, J.B, Gandini, R, Spillner, E, Miehe, M.
Deposit date:2023-06-26
Release date:2024-05-08
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Nanobody-based IgG formats as blocking antibodies of the major honeybee venom allergen Api m 1
To be published
7MPS
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BU of 7mps by Molmil
Brucella melitensis NrnC with engaged loop
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NanoRNase C, SULFATE ION
Authors:Lormand, J.D, Sondermann, H.
Deposit date:2021-05-04
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural characterization of NrnC identifies unifying features of dinucleotidases.
Elife, 10, 2021
8IVX
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BU of 8ivx by Molmil
Crystal structure of NRP2 in complex with aNRP2-14 Fab fragment
Descriptor: 1,2-ETHANEDIOL, Heavy chain of antibody 14V4 Fab fragment, Light chain of antibody 14V4 Fab fragment, ...
Authors:Geng, Y, Zhai, L.
Deposit date:2023-03-29
Release date:2023-07-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inhibition of VEGF binding to neuropilin-2 enhances chemosensitivity and inhibits metastasis in triple-negative breast cancer.
Sci Transl Med, 15, 2023
6QPK
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BU of 6qpk by Molmil
Zt-KP6-1: an effector from Zymoseptoria tritici
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CITRIC ACID, SULFATE ION, ...
Authors:Padilla, A, Hoh, F, De guillen, K.
Deposit date:2019-02-14
Release date:2020-03-04
Last modified:2025-01-29
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Zymoseptoria tritici effectors structurally related to killer proteins UmV-KP4 and UmV-KP6 are toxic to fungi, and define extended protein families in fungi
Biorxiv, 2024
9GIO
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BU of 9gio by Molmil
Crystal structure of the VHL-EloC-EloB complex with a covalent compound bound to C77 of VHL.
Descriptor: Elongin-B, Isoform 2 of Elongin-C, N-[2-(dimethylsulfamoyl)-5-[(1-methylpyrazol-4-yl)methoxy]phenyl]propanamide, ...
Authors:Collie, G.W.
Deposit date:2024-08-19
Release date:2025-03-26
Last modified:2025-04-30
Method:X-RAY DIFFRACTION (1.486 Å)
Cite:Discovery of a Series of Covalent Ligands That Bind to Cys77 of the Von Hippel-Lindau Tumor Suppressor Protein (VHL).
Acs Med.Chem.Lett., 16, 2025
7BJS
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BU of 7bjs by Molmil
Crystal structure of Khc/atypical Tm1 complex
Descriptor: Kinesin heavy chain, SD21996p
Authors:Dimitrova-Paternoga, L, Jagtap, P.K.A, Ephrussi, A, Hennig, J.
Deposit date:2021-01-14
Release date:2021-05-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Molecular basis of mRNA transport by a kinesin-1-atypical tropomyosin complex.
Genes Dev., 35, 2021
5XM5
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BU of 5xm5 by Molmil
Crystal structure of Zinc binding protein ZinT at 1.49 Angstrom from E. coli
Descriptor: Metal-binding protein ZinT, SODIUM ION, ZINC ION
Authors:Chen, J, Wang, L, Guo, J, Xu, Y.
Deposit date:2017-05-12
Release date:2017-05-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.493 Å)
Cite:Crystal structure of Zinc binding protein ZinT at 1.49 Angstrom from E. coli
To Be Published
7BJN
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BU of 7bjn by Molmil
Crystal structure of atypical Tm1 (Tm1-I/C), residues 270-334
Descriptor: SD21996p
Authors:Dimitrova-Paternoga, L, Jagtap, P.K.A, Ephrussi, A, Hennig, J.
Deposit date:2021-01-14
Release date:2021-05-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis of mRNA transport by a kinesin-1-atypical tropomyosin complex.
Genes Dev., 35, 2021
6X2Y
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BU of 6x2y by Molmil
Crystal Structure of mDia2NES peptide bound to CRM1(E571K)
Descriptor: 1,2-ETHANEDIOL, Exportin-1, GLYCEROL, ...
Authors:Baumhardt, J.M.
Deposit date:2020-05-21
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.304 Å)
Cite:Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation.
Mol.Biol.Cell, 31, 2020
6O9W
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BU of 6o9w by Molmil
Crystal structure of Staphylococcus aureus BlaR1 antibiotic-sensor domain in complex with avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Regulatory protein BlaR1
Authors:Alexander, J.A.N, Strynadka, N.C.J.
Deposit date:2019-03-15
Release date:2020-06-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural analysis of avibactam-mediated activation of the bla and mec divergons in methicillin-resistant Staphylococcus aureus .
J.Biol.Chem., 295, 2020
5LNC
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BU of 5lnc by Molmil
Structure of SPX domain of the yeast inorganic polyphophate polymerase Vtc4 crystallized by carrier-driven crystallization in fusion with the macro domain of human histone macroH2A1.1
Descriptor: Vacuolar transporter chaperone 4,Core histone macro-H2A.1
Authors:Wild, R, Hothorn, M.
Deposit date:2016-08-03
Release date:2016-11-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:The macro domain as fusion tag for carrier-driven crystallization.
Protein Sci., 26, 2017
6HZK
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BU of 6hzk by Molmil
Crystal structure of redox-inhibited phosphoribulokinase from Synechococcus sp. (strain PCC 6301)
Descriptor: Phosphoribulokinase
Authors:Wilson, R.H, Bracher, A, Hartl, F.U, Hayer-Hartl, M.
Deposit date:2018-10-23
Release date:2019-03-27
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of phosphoribulokinase from Synechococcus sp. strain PCC 6301.
Acta Crystallogr.,Sect.F, 75, 2019
6HZY
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BU of 6hzy by Molmil
Crystal structure of a bacterial fucosidase with inhibitor FucPUG
Descriptor: 1,2-ETHANEDIOL, Alpha-L-fucosidase, SULFATE ION, ...
Authors:Wu, L, Davies, G.J, Stubbs, K.A, Coyle, T, Debowski, A.W.
Deposit date:2018-10-24
Release date:2019-02-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Synthetic and Crystallographic Insight into Exploiting sp2Hybridization in the Development of alpha-l-Fucosidase Inhibitors.
Chembiochem, 20, 2019
9GGW
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BU of 9ggw by Molmil
Human KRas4A (GDP) in complex with compound 16
Descriptor: 1,2-ETHANEDIOL, 11-(4-aminocyclohexyl)-16-chloro-1,15-dihydroxy-10,10-dioxo-10lambda6-thia-2,11lambda6-diaza-1lambda6,15lambda6-diphospha-3-phosphoniapentacyclo[7.5.1.01,15.03,15.013,15]hexadecan-12-one, GTPase KRas, ...
Authors:Schuettelkopf, A.W.
Deposit date:2024-08-14
Release date:2025-04-16
Last modified:2025-05-21
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Reversible Small Molecule Multivariant Ras Inhibitors Display Tunable Affinity for the Active and Inactive Forms of Ras.
J.Med.Chem., 68, 2025
6HDI
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BU of 6hdi by Molmil
R49A variant of beta-phosphoglucomutase from Lactococcus lactis in an open conformer to 2.0 A.
Descriptor: 1,2-ETHANEDIOL, Beta-phosphoglucomutase, MAGNESIUM ION
Authors:Robertson, A.J, Bisson, C, Waltho, J.P.
Deposit date:2018-08-17
Release date:2020-08-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Transition state of phospho-enzyme hydrolysis in beta-phosphoglucomutase.
To Be Published

245663

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