5VDA
 
 | | Crystal structure of human WEE1 kinase domain in complex with RAC-IV-101, a MK1775 analogue | | Descriptor: | 1,2-ETHANEDIOL, 1-{6-[(1S)-1-hydroxyethyl]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, CHLORIDE ION, ... | | Authors: | Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2017-04-01 | | Release date: | 2018-04-04 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of Wee family kinase inhibition by small molecules
to be published
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5I6K
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5VDU
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7LT4
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8VP1
 | | Cryo-EM structure of the ABC transporter PCAT1 cysteine-free core bound with ATP | | Descriptor: | ABC-type bacteriocin transporter, ADENOSINE-5'-TRIPHOSPHATE | | Authors: | Zhang, R, Jagessar, K.L, Polasa, A, Brownd, M, Stein, R, Moradi, M, Karakas, E, Mchaourab, H.S. | | Deposit date: | 2024-01-16 | | Release date: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.48 Å) | | Cite: | Conformational cycle of a protease-containing ABC transporter in lipid nanodiscs reveals the mechanism of cargo-protein coupling.
Nat Commun, 15, 2024
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5I6Z
 | | X-ray structure of the ts2 human serotonin transporter | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody, heavy chain, ... | | Authors: | Coleman, J.A, Green, E.M, Gouaux, E. | | Deposit date: | 2016-02-16 | | Release date: | 2016-04-13 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (4.53 Å) | | Cite: | X-ray structures and mechanism of the human serotonin transporter.
Nature, 532, 2016
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6VS1
 | | protein C | | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, Multidrug transporter MdfA, PRASEODYMIUM ION | | Authors: | Lu, M, Lu, M.M. | | Deposit date: | 2020-02-10 | | Release date: | 2020-06-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure and mechanism of a redesigned multidrug transporter from the Major Facilitator Superfamily.
Sci Rep, 10, 2020
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8VP5
 | | Cryo-EM structure of the ABC transporter PCAT1 bound with ADP and Substrate | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxypropyl hexadecanoate, ABC-type bacteriocin transporter, ... | | Authors: | Zhang, R, Jagessar, K.L, Polasa, A, Brownd, M, Stein, R, Moradi, M, Karakas, E, Mchaourab, H.S. | | Deposit date: | 2024-01-16 | | Release date: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.18 Å) | | Cite: | Conformational cycle of a protease-containing ABC transporter in lipid nanodiscs reveals the mechanism of cargo-protein coupling.
Nat Commun, 15, 2024
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8VZD
 | | Crystal Structure of 2-Hydroxyacyl-CoA lyase/synthase TbHACS from Thermoflexaceae bacterium in the Complex with THDP, Formyl-CoA and ADP | | Descriptor: | 1,2-ETHANEDIOL, 2-Hydroxyacyl-CoA Lyase/Synthase TbHACS, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Kim, Y, Maltseva, M, Endres, M, Lee, S, Yoshikuni, Y, Gonzalez, R, Michalska, K, Joachimiak, A. | | Deposit date: | 2024-02-11 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Revealing reaction intermediates in one-carbon elongation by thiamine diphosphate/CoA-dependent enzyme family.
Commun Chem, 7, 2024
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8VZF
 | | Crystal Structure of 2-Hydroxyacyl-CoA Lyase/Synthase ApbHACS from Alphaproteobacteria bacterium in the Complex with THDP, Coenzyme A, and ADP | | Descriptor: | 1,2-ETHANEDIOL, 2-Hydroxyacyl-CoA Lyase/Synthase, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Gade, P, Kim, Y, Endres, M, Lee, S, Yoshikuni, Y, Gonzalez, R, Michalska, K, Joachimiak, A. | | Deposit date: | 2024-02-11 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Revealing reaction intermediates in one-carbon elongation by thiamine diphosphate/CoA-dependent enzyme family.
Commun Chem, 7, 2024
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7LUB
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8VBS
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5I1N
 | | Villin headpiece subdomain with a Gln26 to beta-3-homoglutamine substitution | | Descriptor: | D-Villin headpiece subdomain, Villin-1 | | Authors: | Kreitler, D.F, Mortenson, D.E, Gellman, S.H, Forest, K.T. | | Deposit date: | 2016-02-05 | | Release date: | 2016-05-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Effects of Single alpha-to-beta Residue Replacements on Structure and Stability in a Small Protein: Insights from Quasiracemic Crystallization.
J.Am.Chem.Soc., 138, 2016
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6VSK
 | | Crystal structure of the P-Rex1 DEP1 domain | | Descriptor: | Phosphatidylinositol 3,4,5-trisphosphate-dependent Rac exchanger 1 protein | | Authors: | Tesmer, J, Ravala, S.K. | | Deposit date: | 2020-02-11 | | Release date: | 2020-07-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.12 Å) | | Cite: | The first DEP domain of the RhoGEF P-Rex1 autoinhibits activity and contributes to membrane binding.
J.Biol.Chem., 295, 2020
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6VIK
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8VGM
 | | CryoEM structure of Nav1.7 in complex with engineered conformationally rigid Fab 7A9.4DS | | Descriptor: | Chimeric Nav1.7-NavAb, Fab 7A9.4DS heavy chain, Fab 7A9.4DS light chain | | Authors: | Kung, J.E, Jao, C.C, Arthur, C.P, Sudhamsu, J. | | Deposit date: | 2023-12-27 | | Release date: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Disulfi de constrained Fabs overcome target size limitation for high-resolution single-particle cryo-EM.
Biorxiv, 2024
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8VH4
 | | Cryo-EM structure of Rab12-LRRK2 complex in the LRRK2 monomer state | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2, MAGNESIUM ION, ... | | Authors: | Zhu, H, Sun, J. | | Deposit date: | 2023-12-30 | | Release date: | 2024-10-09 | | Last modified: | 2025-05-14 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | RAB12-LRRK2 complex suppresses primary ciliogenesis and regulates centrosome homeostasis in astrocytes.
Nat Commun, 15, 2024
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5VGI
 | | Crystal Structure of KDM4 with the Small Molecule Inhibitor QC6352 | | Descriptor: | 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ... | | Authors: | Hosfield, D.J. | | Deposit date: | 2017-04-11 | | Release date: | 2017-09-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Design of KDM4 Inhibitors with Antiproliferative Effects in Cancer Models.
ACS Med Chem Lett, 8, 2017
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8VKH
 | | Structure of gelsolin domains G1G3 bound to the barbed end of F-actin | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | | Authors: | Barrie, K.R, Rebowski, G, Dominguez, R. | | Deposit date: | 2024-01-09 | | Release date: | 2024-10-16 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (3.63 Å) | | Cite: | Mechanism of actin filament severing and capping by gelsolin.
Nat.Struct.Mol.Biol., 32, 2025
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5VD5
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5ID4
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6VJ0
 | | Crystal structure of a chitin-binding protein from Moringa oleifera seeds (Mo-CBP4) | | Descriptor: | ACETATE ION, CHLORIDE ION, Chitin-binding protein Mo-CBP4 | | Authors: | Bezerra, E.H.S, Lopes, T.D.P, da Silva, F.M.S, Costa, H.P.S, Freire, V.N, Rocha, B.A.M, Sousa, D.O.B. | | Deposit date: | 2020-01-14 | | Release date: | 2021-01-27 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural characterization of a lectin from Moringa oleifera seeds with imflammatory activities
To Be Published
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5VDO
 | | Human cyclic GMP-AMP synthase (cGAS) in complex with 2',2'-cGAMP | | Descriptor: | 2-amino-9-[(1R,3R,6R,8R,9R,11S,14R,16R,17R,18R)-16-(6-amino-9H-purin-9-yl)-3,11,17,18-tetrahydroxy-3,11-dioxido-2,4,7,10,12,15-hexaoxa-3,11-diphosphatricyclo[12.2.1.1~6,9~]octadec-8-yl]-1,9-dihydro-6H-purin-6-one, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Byrnes, L.J, Hall, J.D. | | Deposit date: | 2017-04-03 | | Release date: | 2017-09-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.218 Å) | | Cite: | The catalytic mechanism of cyclic GMP-AMP synthase (cGAS) and implications for innate immunity and inhibition.
Protein Sci., 26, 2017
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8VIZ
 | | Structure of full-length gelsolin bound to the barbed end of F-actin | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | | Authors: | Barrie, K.R, Rebowski, G, Dominguez, R. | | Deposit date: | 2024-01-05 | | Release date: | 2024-10-16 | | Last modified: | 2025-06-04 | | Method: | ELECTRON MICROSCOPY (2.63 Å) | | Cite: | Mechanism of actin filament severing and capping by gelsolin.
Nat.Struct.Mol.Biol., 32, 2025
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6VJB
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