8X52
 
 | | Cryo-EM structure of human gamma-secretase in complex with Abeta49 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Guo, X, Yan, C, Lei, J, Zhou, R, Shi, Y. | | Deposit date: | 2023-11-16 | | Release date: | 2024-05-29 | | Last modified: | 2025-07-23 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Molecular mechanism of substrate recognition and cleavage by human gamma-secretase.
Science, 384, 2024
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5YB2
 | | Crystal structure of LP-11/N44 | | Descriptor: | Envelope glycoprotein, LP-11 | | Authors: | Zhang, X, Wang, X, He, Y. | | Deposit date: | 2017-09-03 | | Release date: | 2018-02-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structural Insights into the Mechanisms of Action of Short-Peptide HIV-1 Fusion Inhibitors Targeting the Gp41 Pocket
Front Cell Infect Microbiol, 8, 2018
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7BIC
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4KS8
 | | PAK6 kinase domain in complex with sunitinib | | Descriptor: | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide, Serine/threonine-protein kinase PAK 6 | | Authors: | Gao, J, Boggon, T.J. | | Deposit date: | 2013-05-17 | | Release date: | 2013-09-11 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Substrate and Inhibitor Specificity of the Type II p21-Activated Kinase, PAK6.
Plos One, 8, 2013
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7BO7
 | | CRYSTAL STRUCTURE OF THE HUMAN PRMT5:MEP50 COMPLEX with JNJB44355437 | | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-[(4~{a}~{S},7~{a}~{S})-4-azanyl-1,4,4~{a},7~{a}-tetrahydropyrrolo[2,3-d]pyrimidin-7-yl]-5-(quinolin-7-yloxymethyl)oxolane-3,4-diol, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Brown, D, Robinson, C, Carr, K.H, Pande, V. | | Deposit date: | 2021-01-24 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | CRYSTAL STRUCTURE OF THE HUMAN PRMT5:MEP50 COMPLEX with JNJB44355437
To Be Published
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7BIB
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7F6P
 | | Crystal structure of metal-citrate-binding mutant (D28A) protein (MctA) of ABC transporter endogenously bound to citrate | | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, CARBON DIOXIDE, ... | | Authors: | Kanaujia, S.P, Mandal, S.K. | | Deposit date: | 2021-06-25 | | Release date: | 2021-12-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural and thermodynamic insights into a novel Mg 2+ -citrate-binding protein from the ABC transporter superfamily.
Acta Crystallogr D Struct Biol, 77, 2021
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8X53
 | | Cryo-EM structure of human gamma-secretase in complex with Abeta46 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Guo, X, Yan, C, Lei, J, Zhou, R, Shi, Y. | | Deposit date: | 2023-11-16 | | Release date: | 2024-05-29 | | Last modified: | 2025-07-23 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Molecular mechanism of substrate recognition and cleavage by human gamma-secretase.
Science, 384, 2024
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2VP8
 | | Structure of Mycobacterium tuberculosis Rv1207 | | Descriptor: | 1,2-ETHANEDIOL, DIHYDROPTEROATE SYNTHASE 2 | | Authors: | Gengenbacher, M, Xu, T, Niyomwattanakit, P, Spraggon, G, Dick, T. | | Deposit date: | 2008-02-27 | | Release date: | 2008-08-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Biochemical and Structural Characterization of the Putative Dihydropteroate Synthase Ortholog Rv1207 of Mycobacterium Tuberculosis.
Fems Microbiol.Lett., 287, 2008
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6Q60
 | | Structure of GluA2 ligand-binding domain (S1S2J) in complex with the agonist (S)-2-Amino-3-(2-methyl-5-hydroxy-2H-1,2,3-triazol-4-yl)propanoic acid at 1.55 A resolution | | Descriptor: | (2~{S})-2-azanyl-3-(2-methyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid, CHLORIDE ION, GLYCEROL, ... | | Authors: | Moellerud, S, Temperini, P, Kastrup, J.S. | | Deposit date: | 2018-12-10 | | Release date: | 2019-04-17 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Use of the 4-Hydroxytriazole Moiety as a Bioisosteric Tool in the Development of Ionotropic Glutamate Receptor Ligands.
J.Med.Chem., 62, 2019
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4C7B
 | | Complex of human Sirt3 with Bromo-Resveratrol and Fluor-De-Lys peptide | | Descriptor: | 5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol, GLYCEROL, ISOPROPYL ALCOHOL, ... | | Authors: | Nguyen, G.T.T, Gertz, M, Weyand, M, Steegborn, C. | | Deposit date: | 2013-09-20 | | Release date: | 2013-11-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structures of Sirt3 Complexes with 4'-Bromo-Resveratrol Reveal Binding Sites and Inhibition Mechanism.
Chem.Biol., 20, 2013
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4C59
 | | Structure of GAK kinase in complex with nanobody (NbGAK_4) | | Descriptor: | (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}, Cyclin-G-associated kinase, NANOBODY | | Authors: | Chaikuad, A, Keates, T, Allerston, C.K, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Muller-Knapp, S. | | Deposit date: | 2013-09-10 | | Release date: | 2013-10-09 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of cyclin G-associated kinase (GAK) trapped in different conformations using nanobodies.
Biochem. J., 459, 2014
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7F6K
 | | Crystal structure of metal-citrate-binding protein (MctA) of ABC transporter endogenously bound to citrate | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ... | | Authors: | Kanaujia, S.P, Mandal, S.K, Gogoi, P. | | Deposit date: | 2021-06-25 | | Release date: | 2021-12-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and thermodynamic insights into a novel Mg 2+ -citrate-binding protein from the ABC transporter superfamily.
Acta Crystallogr D Struct Biol, 77, 2021
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7F6U
 | | Crystal structure of metal-citrate-binding mutant (Y221A) protein (MctA) of ABC transporter in apo state | | Descriptor: | 1,2-ETHANEDIOL, 2-(hydroxymethyl)butane-1,4-diol, 2-HYDROXY BUTANE-1,4-DIOL, ... | | Authors: | Kanaujia, S.P, Mandal, S.K. | | Deposit date: | 2021-06-25 | | Release date: | 2021-12-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural and thermodynamic insights into a novel Mg 2+ -citrate-binding protein from the ABC transporter superfamily.
Acta Crystallogr D Struct Biol, 77, 2021
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5Y86
 | | Crystal structure of kinase | | Descriptor: | 1,2-ETHANEDIOL, 7-METHOXY-1-METHYL-9H-BETA-CARBOLINE, Dual specificity tyrosine-phosphorylation-regulated kinase 3, ... | | Authors: | Kim, K.L, Cha, J.S, Cho, Y.S, Kim, H.Y, Chang, N.P, Cho, H.S. | | Deposit date: | 2017-08-18 | | Release date: | 2018-05-02 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of Human Dual-Specificity Tyrosine-Regulated Kinase 3 Reveals New Structural Features and Insights into its Auto-phosphorylation
J. Mol. Biol., 430, 2018
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1EO5
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1YJ2
 | | Cyclized, non-dehydrated post-translational product for S65A Y66S H148G GFP variant | | Descriptor: | 1,2-ETHANEDIOL, Green Fluorescent Protein, MAGNESIUM ION | | Authors: | Barondeau, D.P, Kassmann, C.J, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2005-01-13 | | Release date: | 2005-02-15 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Understanding GFP Chromophore Biosynthesis: Controlling Backbone Cyclization and Modifying Post-translational Chemistry.
Biochemistry, 44, 2005
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5A2N
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5H64
 | | Cryo-EM structure of mTORC1 | | Descriptor: | Regulatory-associated protein of mTOR, Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8 | | Authors: | Yang, H, Wang, J, Liu, M, Chen, X, Huang, M, Tan, D, Dong, M, Wong, C.C.L, Wang, J, Xu, Y, Wang, H. | | Deposit date: | 2016-11-10 | | Release date: | 2017-01-25 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | 4.4 angstrom Resolution Cryo-EM structure of human mTOR Complex 1
Protein Cell, 7, 2016
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5HF8
 | | Crystal structure of human acetylcholinesterase in complex with paraoxon (alternative acyl loop conformation) | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Franklin, M.F, Rudolph, M.J, Ginter, C, Cassidy, M.S, Cheung, J. | | Deposit date: | 2016-01-06 | | Release date: | 2016-06-22 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structures of paraoxon-inhibited human acetylcholinesterase reveal perturbations of the acyl loop and the dimer interface.
Proteins, 84, 2016
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7F1G
 | | BACE2 xaperone complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-2H,3H-[1,4]dioxino[2,3-c]pyridine-7-carboxamide | | Descriptor: | Beta-secretase 2, N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide, XAPERONE | | Authors: | Ueno, T, Matsuoka, E, Asada, N, Yamamoto, S, Kanegawa, N, Ito, M, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | | Deposit date: | 2021-06-09 | | Release date: | 2022-02-23 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of Extremely Selective Fused Pyridine-Derived beta-Site Amyloid Precursor Protein-Cleaving Enzyme (BACE1) Inhibitors with High In Vivo Efficacy through 10s Loop Interactions.
J.Med.Chem., 64, 2021
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2ZZJ
 | | Crystal structure of endo-beta-1,4-glucuronan lyase from fungus Trichoderma reesei | | Descriptor: | CALCIUM ION, CITRIC ACID, Glucuronan lyase A | | Authors: | Konno, N, Ishida, T, Fushinobu, S, Igarashi, K, Habu, N, Samejima, M, Isogai, A. | | Deposit date: | 2009-02-16 | | Release date: | 2009-05-05 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of polysaccharide lyase family 20 endo-beta-1,4-glucuronan lyase from the filamentous fungus Trichoderma reesei.
Febs Lett., 583, 2009
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7FIY
 | | Cryo-EM structure of the tirzepatide-bound human GIPR-Gs complex | | Descriptor: | CHOLESTEROL, Gastric inhibitory polypeptide receptor,Gastric inhibitory polypeptide receptor,human glucose-dependent insulinotropic polypeptide receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zhao, F.H, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W. | | Deposit date: | 2021-08-01 | | Release date: | 2022-03-02 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
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1WOA
 | | Structure of the loop6 hinge mutant of Plasmodium falciparum Triosephosphate Isomerase, W168F, complexed with Glycerol-2-phosphate | | Descriptor: | 2-HYDROXY-1-(HYDROXYMETHYL)ETHYL DIHYDROGEN PHOSPHATE, Triosephosphate isomerase | | Authors: | Eaazhisai, K, Balaram, H, Balaram, P, Murthy, M.R.N. | | Deposit date: | 2004-08-12 | | Release date: | 2004-10-26 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structures of Unliganded and Inhibitor Complexes of W168F, a Loop6 Hinge Mutant of Plasmodium falciparum Triosephosphate Isomerase: Observation of an Intermediate Position of Loop6
J.Mol.Biol., 343, 2004
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9H97
 | | Structure of protein kinase CK2 catalytic subunit CK2alpha (CSNK2A1 gene product) in complex with the indenoindole-type inhibitor MC11 at high-salt conditions | | Descriptor: | 1,2,3,4-tetrakis(bromanyl)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, Casein kinase II subunit alpha | | Authors: | Niefind, K, Lindenblatt, D, Werner, C. | | Deposit date: | 2024-10-30 | | Release date: | 2025-08-27 | | Last modified: | 2025-09-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Exploring the biological potential of the brominated indenoindole MC11 and its interaction with protein kinase CK2.
Biol.Chem., 406, 2025
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