6OUM
 
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8Q7E
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5IUI
 | | Crystal Structure of Anaplastic Lyphoma Kinase (ALK) in complex with 4 | | Descriptor: | ALK tyrosine kinase receptor, N-[3-(4-amino-3-methylphenyl)-1H-pyrazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide | | Authors: | Tu, C.H, Wu, S.Y. | | Deposit date: | 2016-03-18 | | Release date: | 2016-05-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Pyrazolylamine Derivatives Reveal the Conformational Switching between Type I and Type II Binding Modes of Anaplastic Lymphoma Kinase (ALK).
J.Med.Chem., 59, 2016
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6OAG
 | | Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02-82 | | Descriptor: | Farnesyl pyrophosphate synthase, PHOSPHATE ION, [(1S)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid | | Authors: | Park, J, Berghuis, A.M. | | Deposit date: | 2019-03-16 | | Release date: | 2019-11-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Chirality-Driven Mode of Binding of alpha-Aminophosphonic Acid-Based Allosteric Inhibitors of the Human Farnesyl Pyrophosphate Synthase (hFPPS).
J.Med.Chem., 62, 2019
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6IPB
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5JNW
 | | Crystal structure of bovine low molecular weight protein tyrosine phosphatase (LMPTP) mutant (W49Y N50E) complexed with vanadate and uncompetitive inhibitor | | Descriptor: | 2-(4-{[3-(piperidin-1-yl)propyl]amino}quinolin-2-yl)benzonitrile, Low molecular weight phosphotyrosine protein phosphatase, VANADATE ION | | Authors: | Stanford, S.M, Aleshin, A.E, Liddington, R.C, Bankston, L, Cadwell, G, Bottini, N. | | Deposit date: | 2016-04-30 | | Release date: | 2017-03-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Diabetes reversal by inhibition of the low-molecular-weight tyrosine phosphatase.
Nat. Chem. Biol., 13, 2017
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5NON
 | | Structure of truncated Norcoclaurine Synthase from Thalictrum flavum with product mimic | | Descriptor: | 4-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]benzene-1,2-diol, S-norcoclaurine synthase | | Authors: | Sula, A, Lichman, B.R, Pesnot, T, Ward, J.M, Hailes, H.C, Keep, N.H. | | Deposit date: | 2017-04-12 | | Release date: | 2017-09-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural Evidence for the Dopamine-First Mechanism of Norcoclaurine Synthase.
Biochemistry, 56, 2017
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5IXV
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8DBV
 | | E. coli ATP synthase imaged in 10mM MgATP State3 "down | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | Authors: | Sobti, M, Stewart, A.G. | | Deposit date: | 2022-06-14 | | Release date: | 2023-01-25 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Changes within the central stalk of E. coli F 1 F o ATP synthase observed after addition of ATP.
Commun Biol, 6, 2023
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6IVM
 | | Crystal structure of a membrane protein P143A | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ... | | Authors: | Kittredge, A, Fukuda, F, Zhang, Y, Yang, T. | | Deposit date: | 2018-12-04 | | Release date: | 2019-11-06 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
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8EKR
 | | Apo rat TRPV2 in nanodiscs, state 3 | | Descriptor: | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Transient receptor potential cation channel subfamily V member 2 | | Authors: | Pumroy, R.A, Moiseenkova-Bell, V.Y. | | Deposit date: | 2022-09-21 | | Release date: | 2023-09-27 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Functional and structural insights into activation of TRPV2 by weak acids.
Embo J., 43, 2024
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5I39
 | | High resolution structure of L-amino acid deaminase from Proteus vulgaris with the deletion of the specific insertion sequence | | Descriptor: | 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, L-amino acid deaminase | | Authors: | Zhou, H, Ju, Y, Niu, L, Teng, M. | | Deposit date: | 2016-02-10 | | Release date: | 2016-08-03 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal structure of a membrane-bound l-amino acid deaminase from Proteus vulgaris
J.Struct.Biol., 195, 2016
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8EKQ
 | | Apo rat TRPV2 in nanodiscs, state 2 | | Descriptor: | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Transient receptor potential cation channel subfamily V member 2 | | Authors: | Pumroy, R.A, Moiseenkova-Bell, V.Y. | | Deposit date: | 2022-09-21 | | Release date: | 2023-09-27 | | Last modified: | 2025-05-14 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Functional and structural insights into activation of TRPV2 by weak acids.
Embo J., 43, 2024
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9E83
 | | TMPRSS2 crystal structure following acylation by UCSF_157 | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-aminoethyl)benzoic acid, CITRIC ACID, ... | | Authors: | Fraser, B.J, Dong, A, Seitova, A, Li, Y, Hutchinson, A, Young, N, Bender, B, Gahbauer, S, Edwards, A, Shoichet, B, Craik, C, Arrowsmith, C.H. | | Deposit date: | 2024-11-04 | | Release date: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | High resolution TMPRSS2 structure following acylation by nafamostat
To Be Published
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6HXL
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9I7E
 | | Crystal structure of HRP-2 PWWP domain with C64S mutation - Crystal form P1 type 2 | | Descriptor: | 1,2-ETHANEDIOL, Hepatoma-derived growth factor-related protein 2 | | Authors: | Vantieghem, T, Osipov, E.M, Strelkov, S.V. | | Deposit date: | 2025-01-31 | | Release date: | 2025-08-13 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystal engineering of the hepatoma-derived growth factor-related protein 2 PWWP domain towards crystallographic fragment screening.
Acta Crystallogr.,Sect.F, 81, 2025
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8BIJ
 | | O-Methyltransferase Plu4894 (mutant I88M, W91L, C97Y, S142L, G146V, Y258M, L270F, S309Y) in complex with SAH | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Methyltransferase Plu4894 mutant I88M, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2022-11-02 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
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8BIR
 | | O-Methyltransferase Plu4895 in complex with SAH and AQ-256 | | Descriptor: | 1,3,8-tris(oxidanyl)anthracene-9,10-dione, CHLORIDE ION, IODIDE ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2022-11-02 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
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8HCC
 | | Crystal structure of mTREX1-RNA product complex (AMP) | | Descriptor: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, SODIUM ION, ... | | Authors: | Hsiao, Y.Y, Huang, K.W, Wu, C.Y. | | Deposit date: | 2022-11-01 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular insight into the specific enzymatic properties of TREX1 revealing the diverse functions in processing RNA and DNA/RNA hybrids.
Nucleic Acids Res., 51, 2023
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8EI8
 | | Crystal structure of the WWP2 HECT domain in complex with H308, a Helicon Polypeptide | | Descriptor: | 1,2-ETHANEDIOL, H308, N,N'-(1,4-phenylene)diacetamide, ... | | Authors: | Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H. | | Deposit date: | 2022-09-14 | | Release date: | 2023-10-25 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
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6IVX
 | | Discovery of the Second Generation ROR gamma Inhibitors Composed of an Azole Scaffold. | | Descriptor: | (4S)-4-[4'-cyclopropyl-5-(2,2-dimethylpropyl)[3,5'-bi-1,2-oxazol]-3'-yl]-6-[(2,4-dichlorophenyl)amino]-6-oxohexanoic acid, Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2 | | Authors: | Noguchi, M, Nomura, A, Doi, S, Adachi, T. | | Deposit date: | 2018-12-04 | | Release date: | 2019-03-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Discovery of Second Generation ROR gamma Inhibitors Composed of an Azole Scaffold.
J. Med. Chem., 62, 2019
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9GV7
 | | Structure of reverse docking TCR in complex with peptide-HLA | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, MHC class I antigen, ... | | Authors: | Karuppiah, V. | | Deposit date: | 2024-09-23 | | Release date: | 2025-04-23 | | Last modified: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Determining T-cell receptor binding orientation and Peptide-HLA interactions using cross-linking mass spectrometry.
J.Biol.Chem., 301, 2025
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6I73
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6I5D
 | | Crystal structure of an OXA-48 beta-lactamase synthetic mutant | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | | Authors: | Zavala, A, Retailleau, P, Dabos, L, Naas, T, Iorga, B. | | Deposit date: | 2018-11-13 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Substrate specificity of an OXA-48 beta-lactamase synthetic mutant
To be published
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9FDL
 | | Crystal structure of the catalytic domain of an AA9 lytic polysaccharide monooxygenase from Thermothelomyces thermophilus (TtLPMO9F) | | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kosinas, C, Dimarogona, M, Topakas, E. | | Deposit date: | 2024-05-17 | | Release date: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Mutational study of a lytic polysaccharide monooxygenase from Myceliophthora thermophila (MtLPMO9F): Structural insights into substrate specificity and regioselectivity.
Int.J.Biol.Macromol., 288, 2024
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