8GEV
 
 | | Crystal structure of human cellular retinol binding protein 1 in complex with 1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(methoxymethyl)piperidine | | Descriptor: | 1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(methoxymethyl)piperidine, Retinol-binding protein 1 | | Authors: | Plau, J, Golczak, M. | | Deposit date: | 2023-03-07 | | Release date: | 2023-10-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms.
Acs Chem.Biol., 18, 2023
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3KJV
 | | HIV-1 reverse transcriptase in complex with DNA | | Descriptor: | 5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DOC))-3', 5'-D(*AP*TP*GP*GP*TP*GP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', MAGNESIUM ION, ... | | Authors: | Lansdon, E.B. | | Deposit date: | 2009-11-03 | | Release date: | 2010-03-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Visualizing the molecular interactions of a nucleotide analog, GS-9148, with HIV-1 reverse transcriptase-DNA complex.
J.Mol.Biol., 397, 2010
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5ZXF
 | | The 1.25A Crystal structure of His6-tagged Mdm2 in complex with nutlin-3a | | Descriptor: | 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Cheng, X.Y, Su, Z.D, Pi, N, Cao, C.Z, Zhao, Z.T, Zhou, J.J, Chen, R, Kuang, Z.K, Huang, Y.Q. | | Deposit date: | 2018-05-19 | | Release date: | 2018-08-22 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | The 1.25A Crystal structure of His6-tagged Mdm2 in complex with nutlin-3a
To Be Published
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9BHJ
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5T80
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5K0C
 | | Crystal Structure of COMT in complex with 2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole | | Descriptor: | 1,2-ETHANEDIOL, 2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | | Authors: | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | | Deposit date: | 2016-05-17 | | Release date: | 2016-09-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
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9C6E
 | | High-resolution structure of bovine (3-367)Arrestin-1 in a pre-activated conformation | | Descriptor: | GLYCEROL, GLYCOLIC ACID, S-arrestin, ... | | Authors: | Salom, D, Palczewski, K, Kiser, P.D. | | Deposit date: | 2024-06-07 | | Release date: | 2024-11-06 | | Last modified: | 2025-01-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Insights into the Activation and Self-Association of Arrestin-1.
Biochemistry, 64, 2025
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6VLR
 | | BG505 SOSIP.v5.2 in complex with rhesus macaque Fab RM20E1 and PGT122 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 SOSIPv5.2 gp41, ... | | Authors: | Cottrell, C.A, Ward, A.B. | | Deposit date: | 2020-01-24 | | Release date: | 2020-06-24 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (4.42 Å) | | Cite: | Mapping the immunogenic landscape of near-native HIV-1 envelope trimers in non-human primates.
Plos Pathog., 16, 2020
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5MES
 | | MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 29 | | Descriptor: | (5~{R},13~{S},17~{S})-5-[[4-chloranyl-3-(2-phenylethyl)phenyl]methyl]-13-[(4-chlorophenyl)methyl]-8-methyl-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20(25),21,23-triene-3,7,15,26-tetrone, Heavy Chain, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog,Induced myeloid leukemia cell differentiation protein Mcl-1, ... | | Authors: | Hargreaves, D. | | Deposit date: | 2016-11-16 | | Release date: | 2017-01-18 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors.
ACS Med Chem Lett, 8, 2017
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7ZHP
 | | Crystal structure of TTBK1 in complex with compound 9 (7-005) | | Descriptor: | 1,2-ETHANEDIOL, 1-(4-azanyl-3,5,12-triazatetracyclo[9.7.0.0^{2,7}.0^{13,18}]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-ethyl-pent-1-yn-3-ol, PHOSPHATE ION, ... | | Authors: | Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-04-06 | | Release date: | 2023-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis.
Sci Rep, 13, 2023
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9BWB
 | | Homomeric alpha3 glycine receptor in the presence of 0.1 mM glycine at pH 6.4 in a desensitized state | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ... | | Authors: | Kindig, K, Gibbs, E, Chakrapani, S. | | Deposit date: | 2024-05-21 | | Release date: | 2024-11-13 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (2.21 Å) | | Cite: | Mechanisms underlying modulation of human GlyR alpha 3 by Zn 2+ and pH.
Sci Adv, 10, 2024
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9BWG
 | | Homomeric alpha3 glycine receptor in the presence of 0.1 mM glycine and 0.1 mM zinc in a desensitized state | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ... | | Authors: | Kindig, K, Gibbs, E, Chakrapani, S. | | Deposit date: | 2024-05-21 | | Release date: | 2024-11-13 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (2.59 Å) | | Cite: | Mechanisms underlying modulation of human GlyR alpha 3 by Zn 2+ and pH.
Sci Adv, 10, 2024
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5JY3
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9BWE
 | | Homomeric alpha3 glycine receptor in the presence of 0.1 mM glycine at pH 6.4 in an intermediate state | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ... | | Authors: | Kindig, K, Gibbs, E, Chakrapani, S. | | Deposit date: | 2024-05-21 | | Release date: | 2024-11-13 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | Mechanisms underlying modulation of human GlyR alpha 3 by Zn 2+ and pH.
Sci Adv, 10, 2024
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9BU2
 | | Homomeric alpha3 glycine receptor in the presence of 1 mM glycine at pH 6.4 in a desensitized state | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ... | | Authors: | Kindig, K, Gibbs, E, Chakrapani, S. | | Deposit date: | 2024-05-16 | | Release date: | 2024-11-13 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (2.87 Å) | | Cite: | Mechanisms underlying modulation of human GlyR alpha 3 by Zn 2+ and pH.
Sci Adv, 10, 2024
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9BWJ
 | | Homomeric alpha3 glycine receptor in the presence of 0.1 mM glycine and 0.1 mM zinc in an apo state | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycine receptor subunit alpha-3, ... | | Authors: | Kindig, K, Gibbs, E, Chakrapani, S. | | Deposit date: | 2024-05-21 | | Release date: | 2024-11-13 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (2.21 Å) | | Cite: | Mechanisms underlying modulation of human GlyR alpha 3 by Zn 2+ and pH.
Sci Adv, 10, 2024
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9BWC
 | | Homomeric alpha3 glycine receptor in the presence of 0.1 mM glycine at pH 6.4 in an apo state | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ... | | Authors: | Kindig, K, Gibbs, E, Chakrapani, S. | | Deposit date: | 2024-05-21 | | Release date: | 2024-11-13 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (2.19 Å) | | Cite: | Mechanisms underlying modulation of human GlyR alpha 3 by Zn 2+ and pH.
Sci Adv, 10, 2024
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9BZP
 | | Homomeric alpha3 glycine receptor in the presence of 0.1 millimolar glycine and 1 micromolar zinc in a desensitized state | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ... | | Authors: | Kindig, K, Gibbs, E, Chakrapani, S. | | Deposit date: | 2024-05-24 | | Release date: | 2024-11-13 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (2.88 Å) | | Cite: | Mechanisms underlying modulation of human GlyR alpha 3 by Zn 2+ and pH.
Sci Adv, 10, 2024
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9IVL
 | | Crystal Structure of SME-1 E166A mutant in complex with Biapenem | | Descriptor: | (4R,5S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-meth yl-4,5-dihydro-1H-pyrrole-2-carboxylate, CHLORIDE ION, GLYCEROL, ... | | Authors: | Dhankhar, K, Hazra, S. | | Deposit date: | 2024-07-23 | | Release date: | 2025-07-30 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal Structure of SME-1 E166A mutant in complex with Biapenem
To Be Published
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5MJU
 | | Structure of the thermostabilized EAAT1 cryst mutant in complex with the competititve inhibitor TFB-TBOA and the allosteric inhibitor UCPH101 | | Descriptor: | (2~{S},3~{S})-2-azanyl-3-[[3-[[4-(trifluoromethyl)phenyl]carbonylamino]phenyl]methoxy]butanedioic acid, 2-Amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4H-chromene-3-carbonitrile, Excitatory amino acid transporter 1,Neutral amino acid transporter B(0),Excitatory amino acid transporter 1 | | Authors: | Canul-Tec, J, Assal, R, Legrand, P, Reyes, N. | | Deposit date: | 2016-12-01 | | Release date: | 2017-04-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.71 Å) | | Cite: | Structure and allosteric inhibition of excitatory amino acid transporter 1.
Nature, 544, 2017
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6YEZ
 | | Plant PSI-ferredoxin-plastocyanin supercomplex | | Descriptor: | (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | Authors: | Caspy, I, Nelson, N, Shkolnisky, Y, Klaiman, D, Sheinker, A. | | Deposit date: | 2020-03-25 | | Release date: | 2020-09-30 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | The structure of a triple complex of plant photosystem I with ferredoxin and plastocyanin.
Nat.Plants, 6, 2020
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7QI4
 | | Human mitochondrial ribosome at 2.2 A resolution (bound to partly built tRNAs and mRNA) | | Descriptor: | 1,4-DIAMINOBUTANE, 12S mitochondrial rRNA, 16S mitochondrial rRNA, ... | | Authors: | Singh, V, Itoh, Y, Amunts, A. | | Deposit date: | 2021-12-14 | | Release date: | 2022-07-13 | | Last modified: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (2.21 Å) | | Cite: | Mitoribosome structure with cofactors and modifications reveals mechanism of ligand binding and interactions with L1 stalk.
Nat Commun, 15, 2024
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5KGG
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6YJS
 | | Crystal structure of MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain with a Lys329-Ile345 loop truncation, in complex with biantennary pentasaccharide M592 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, ... | | Authors: | Wu, L, Darby, J.F, Gilio, A.K, Davies, G.J. | | Deposit date: | 2020-04-04 | | Release date: | 2020-08-05 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V
Acs Catalysis, 2020
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9F6S
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