6VGF
| Peanut lectin complexed with divalent S-beta-D-thiogalactopyranosyl beta-D-glucopyranoside derivative (diSTGD) | Descriptor: | (2S,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-({[(1-{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({4-[({[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]sulfanyl}tetrahydro-2H-pyran-2-yl]methyl}sulfanyl)methyl]-1H-1,2,3-triazol-1-yl}methyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2H-pyran-2-yl]sulfanyl}tetrahydro-2H-pyran-3,4,5-triol, CALCIUM ION, Galactose-binding lectin, ... | Authors: | Otero, L.H, Primo, E.D, Cagnoni, A.J, Cano, M.E, Klinke, S, Goldbaum, F.A, Uhrig, M.L. | Deposit date: | 2020-01-08 | Release date: | 2020-10-28 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Crystal structures of peanut lectin in the presence of synthetic beta-N- and beta-S-galactosides disclose evidence for the recognition of different glycomimetic ligands. Acta Crystallogr D Struct Biol, 76, 2020
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8PFW
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7YYE
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6ME6
| XFEL crystal structure of human melatonin receptor MT2 in complex with 2-phenylmelatonin | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, Soluble cytochrome b562,Melatonin receptor type 1B,Rubredoxin, ... | Authors: | Johansson, L.C, Stauch, B, McCorvy, J, Han, G.W, Patel, N, Batyuk, A, Gati, C, Li, C, Grandner, J, Hao, S, Olsen, R.H.J, Tribo, A.R, Zaare, S, Zhu, L, Zatsepin, N.A, Weierstall, U, Liu, W, Roth, B.L, Katritch, V, Cherezov, V. | Deposit date: | 2018-09-05 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | XFEL structures of the human MT2melatonin receptor reveal the basis of subtype selectivity. Nature, 569, 2019
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7SO6
| Crystal Structure of HIV-1 K103N, Y181C mutant Reverse Transcriptase in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-7-fluoro-2-naphthonitrile (JLJ635), a Non-nucleoside Inhibitor | Descriptor: | 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-7-fluoronaphthalene-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ... | Authors: | Bertoletti, N, Frey, K.M, Anderson, K.S, Cisneros Trigo, J.A, Jorgensen, W.L, Chan, A.H. | Deposit date: | 2021-10-29 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucleoside Inhibitors and Their Interactions With HIV-1 Reverse Transcriptase. Front Mol Biosci, 9, 2022
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4Y0G
| beta2 carbohydrate binding module (CBM) of AMP-activated protein kinase (AMPK) | Descriptor: | 5'-AMP-activated protein kinase subunit beta-2, GLYCEROL | Authors: | Mobbs, J, Gorman, M.A, Parker, M.W, Gooley, P.R, Griffin, M. | Deposit date: | 2015-02-06 | Release date: | 2015-04-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Determinants of oligosaccharide specificity of the carbohydrate-binding modules of AMP-activated protein kinase. Biochem.J., 468, 2015
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8SWH
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6SAZ
| Cleaved human fetuin-b in complex with crayfish astacin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Astacin, ... | Authors: | Gomis-Ruth, F.X, Guevara, T, Cuppari, A, Korschgen, H, Schmitz, C, Kuske, M, Yiallouros, I, Floehr, J, Jahnen-Dechent, W, Stocker, W. | Deposit date: | 2019-07-18 | Release date: | 2019-10-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The C-terminal region of human plasma fetuin-B is dispensable for the raised-elephant-trunk mechanism of inhibition of astacin metallopeptidases. Sci Rep, 9, 2019
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6YN5
| Inducible lysine decarboxylase LdcI decamer, pH 7.0 | Descriptor: | Inducible lysine decarboxylase | Authors: | Jessop, M, Felix, J, Desfosses, A, Effantin, G, Gutsche, I. | Deposit date: | 2020-04-10 | Release date: | 2021-01-13 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Supramolecular assembly of the Escherichia coli LdcI upon acid stress. Proc.Natl.Acad.Sci.USA, 118, 2021
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7ALM
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8PM2
| Structure of the murine trace amine-associated receptor TAAR7f bound to N,N-dimethylcyclohexylamine (DMCH) in complex with mini-Gs trimeric G protein | Descriptor: | CHOLESTEROL HEMISUCCINATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Gusach, A, Lee, Y, Edwards, P.C, Huang, F, Weyand, S.N, Tate, C.G. | Deposit date: | 2023-06-28 | Release date: | 2023-08-09 | Last modified: | 2024-08-07 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Molecular recognition of an aversive odorant by the murine trace amine-associated receptor TAAR7f. Biorxiv, 2023
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7TAC
| Cryo-EM structure of the (TGA3)2-(NPR1)2-(TGA3)2 complex | Descriptor: | PALMITIC ACID, Regulatory protein NPR1, Transcription factor TGA3, ... | Authors: | Wu, Q, Zhou, Y, Bartesaghi, A, Dong, X, Zhou, P. | Deposit date: | 2021-12-20 | Release date: | 2022-03-16 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural basis of NPR1 in activating plant immunity. Nature, 605, 2022
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5MB4
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6SBN
| Polyester hydrolase PE-H of Pseudomonas aestusnigri | Descriptor: | ACETATE ION, SODIUM ION, polyester hydrolase | Authors: | Bollinger, A, Thies, S, Kobus, S, Hoeppner, A, Smits, S.H.J, Jaeger, K.-E. | Deposit date: | 2019-07-22 | Release date: | 2020-02-26 | Last modified: | 2020-03-11 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | A Novel Polyester Hydrolase From the Marine BacteriumPseudomonas aestusnigri -Structural and Functional Insights. Front Microbiol, 11, 2020
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6PAE
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6MFC
| GphF GNAT-like decarboxylase | Descriptor: | GLYCEROL, GphF, PENTAETHYLENE GLYCOL | Authors: | Skiba, M.A, Tran, C.L, Smith, J.L. | Deposit date: | 2018-09-10 | Release date: | 2019-09-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.589 Å) | Cite: | Repurposing the GNAT Fold in the Initiation of Polyketide Biosynthesis. Structure, 28, 2020
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6PAX
| CRYSTAL STRUCTURE OF THE HUMAN PAX-6 PAIRED DOMAIN-DNA COMPLEX REVEALS A GENERAL MODEL FOR PAX PROTEIN-DNA INTERACTIONS | Descriptor: | 26 NUCLEOTIDE DNA, HOMEOBOX PROTEIN PAX-6 | Authors: | Xu, H.E, Rould, M.A, Xu, W, Epstein, J.A, Maas, R.L, Pabo, C.O. | Deposit date: | 1999-04-22 | Release date: | 1999-07-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the human Pax6 paired domain-DNA complex reveals specific roles for the linker region and carboxy-terminal subdomain in DNA binding. Genes Dev., 13, 1999
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7T47
| KRAS G12D (GppCp) with MRTX-1133 | Descriptor: | 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol, ACETATE ION, GLYCEROL, ... | Authors: | Thomas, N.C, Gunn, R.J, Lawson, J.D, Wang, X, Matthew, M.A. | Deposit date: | 2021-12-09 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | A Non-covalent KRASG12D Allele Specific Inhibitor Demonstrates Potent Inhibition of KRAS-dependent Signaling and Regression of KRASG12D-mutant Tumors Nature, 2022
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4Y1W
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6SBO
| Estrogen receptor mutant L536S | Descriptor: | 6-(2,4-dichlorophenyl)-5-[4-[(3~{S})-1-(3-fluoranylpropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7~{H}-benzo[7]annulene-2-carboxylic acid, Estrogen receptor | Authors: | Vallee, F, Steier, V, Rak, A. | Deposit date: | 2019-07-22 | Release date: | 2019-11-27 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Discovery of 6-(2,4-Dichlorophenyl)-5-[4-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid (SAR439859), a Potent and Selective Estrogen Receptor Degrader (SERD) for the Treatment of Estrogen-Receptor-Positive Breast Cancer. J.Med.Chem., 63, 2020
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8TH4
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7SO4
| Crystal Structure of HIV-1 Y181C mutant Reverse Transcriptase in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-7-fluoro-2-naphthonitrile (JLJ635), a Non-nucleoside Inhibitor | Descriptor: | 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-7-fluoronaphthalene-2-carbonitrile, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | Authors: | Bertoletti, N, Anderson, K.S, Cisneros Trigo, J.A, Jorgensen, W.L, Frey, K.M, Chan, A.H. | Deposit date: | 2021-10-29 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucleoside Inhibitors and Their Interactions With HIV-1 Reverse Transcriptase. Front Mol Biosci, 9, 2022
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6VGQ
| ClpP1P2 complex from M. tuberculosis with GLF-CMK bound to ClpP1 | Descriptor: | ATP-dependent Clp protease proteolytic subunit, ATP-dependent Clp protease proteolytic subunit 1, Z-Gly-leu-phe-CH2Cl | Authors: | Ripstein, Z.A, Vahidi, S, Rubinstein, J.L, Kay, L.E. | Deposit date: | 2020-01-08 | Release date: | 2020-03-18 | Last modified: | 2020-04-01 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | An allosteric switch regulatesMycobacterium tuberculosisClpP1P2 protease function as established by cryo-EM and methyl-TROSY NMR. Proc.Natl.Acad.Sci.USA, 117, 2020
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6YN6
| Inducible lysine decarboxylase LdcI stacks, pH 5.7 | Descriptor: | Inducible lysine decarboxylase | Authors: | Felix, J, Jessop, M, Desfosses, A, Effantin, G, Gutsche, I. | Deposit date: | 2020-04-10 | Release date: | 2021-01-13 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Supramolecular assembly of the Escherichia coli LdcI upon acid stress. Proc.Natl.Acad.Sci.USA, 118, 2021
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7PP1
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